data_2rut_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 2rut _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.1 pp . . . . . 0 N--CA 1.47 0.568 0 CA-C-O 122.043 0.925 . . . . 0.0 112.795 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -127.84 123.9 36.25 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.638 1.975 . . . . 0.0 109.738 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.4 m -110.15 134.52 52.11 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.15 0.98 . . . . 0.0 112.468 -171.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.9 t -69.43 124.04 22.83 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.242 1.417 . . . . 0.0 111.484 172.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -74.46 -8.18 55.46 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 177.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -104.78 -34.64 8.03 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.874 1.269 . . . . 0.0 113.543 -173.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.8 p -133.09 1.98 3.58 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 115.249 1.574 . . . . 0.0 115.249 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 60.93 21.76 11.99 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 126.06 1.744 . . . . 0.0 115.352 178.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -71.98 141.46 49.38 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.465 1.106 . . . . 0.0 110.233 169.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -111.74 143.07 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 125.023 1.329 . . . . 0.0 112.782 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -130.48 159.26 37.6 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 126.416 1.887 . . . . 0.0 111.585 -178.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -84.64 -22.0 30.06 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.639 1.176 . . . . 0.0 114.011 -176.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -136.97 147.03 46.06 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.555 1.542 . . . . 0.0 111.702 -175.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -58.71 -47.35 84.86 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.343 1.057 . . . . 0.0 112.811 -175.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 15.1 p-80 -62.02 -25.22 67.52 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.674 0.79 . . . . 0.0 113.009 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.0 t -70.73 -43.95 67.86 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.722 0.809 . . . . 0.0 110.785 177.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 54.5 tp -65.31 -50.66 64.82 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.48 0.712 . . . . 0.0 111.541 171.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -58.91 -34.2 71.42 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.483 0.713 . . . . 0.0 112.581 -173.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.93 -34.01 64.18 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.414 1.086 . . . . 0.0 113.581 173.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -65.76 -31.09 71.88 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.069 0.947 . . . . 0.0 112.036 173.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 50.5 mt -57.71 -26.56 61.94 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 120.993 -1.067 . . . . 0.0 113.545 177.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.8 mtm180 -62.19 -14.07 34.04 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 pt -83.08 -25.19 8.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 123.933 0.893 . . . . 0.0 112.555 171.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 . . . . . 0 CA--C 1.542 0.662 0 C-N-CA 127.332 2.253 . . . . 0.0 113.492 -177.097 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.6 pp . . . . . 0 N--CA 1.472 0.627 0 CA-C-O 121.28 0.562 . . . . 0.0 111.883 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -132.46 134.14 44.71 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.825 2.05 . . . . 0.0 109.658 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.3 m -116.45 134.39 54.92 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.184 0.993 . . . . 0.0 112.256 -172.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.5 t -68.56 123.93 22.19 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.385 1.474 . . . . 0.0 111.354 173.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -74.49 -8.61 56.88 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 177.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -102.83 -34.23 9.07 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.979 1.312 . . . . 0.0 113.54 -174.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.8 p -134.1 1.48 3.25 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 115.257 1.577 . . . . 0.0 115.257 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 60.53 22.6 12.31 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.055 1.742 . . . . 0.0 115.198 179.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -73.1 142.28 47.54 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.781 1.232 . . . . 0.0 110.068 169.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -111.24 145.1 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 124.754 1.221 . . . . 0.0 113.211 -178.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -132.55 164.2 27.15 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 127.491 2.316 . . . . 0.0 110.934 -177.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -90.46 -22.64 21.29 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.231 1.196 . . . . 0.0 114.231 -175.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -136.38 155.12 50.48 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.258 1.423 . . . . 0.0 111.435 -175.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -59.8 -49.49 77.5 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.583 0.753 . . . . 0.0 111.941 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -63.96 -25.07 67.97 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -178.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.9 m -70.07 -46.16 65.53 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.725 0.81 . . . . 0.0 111.55 177.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.4 tp -65.38 -45.81 82.62 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.182 0.593 . . . . 0.0 110.852 172.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 67.1 mm-40 -61.82 -32.69 73.02 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.42 0.688 . . . . 0.0 112.469 -173.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.99 -35.9 66.95 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.443 1.097 . . . . 0.0 113.16 170.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -64.01 -30.83 71.88 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.663 -0.648 . . . . 0.0 112.309 174.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.5 mt -58.7 -25.66 63.1 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 120.957 -1.089 . . . . 0.0 113.726 176.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -57.26 -23.55 48.99 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.746 1.218 . . . . 0.0 113.695 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 pt -79.87 -28.92 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 123.867 0.867 . . . . 0.0 112.472 175.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 . . . . . 0 CA--C 1.537 0.447 0 C-N-CA 126.035 1.734 . . . . 0.0 113.063 -174.993 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 pp . . . . . 0 CA--C 1.537 0.463 0 CA-C-O 121.194 0.521 . . . . 0.0 111.451 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -132.09 130.52 41.33 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 126.443 1.897 . . . . 0.0 109.888 -177.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.1 m -112.64 135.67 53.11 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.946 0.899 . . . . 0.0 112.766 -170.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.1 t -66.52 129.36 39.58 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.066 1.346 . . . . 0.0 111.293 171.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -79.63 -10.06 59.73 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.523 -0.736 . . . . 0.0 112.845 175.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -103.13 -33.84 9.08 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.959 1.304 . . . . 0.0 113.705 -173.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.2 p -134.79 0.07 2.9 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 115.181 1.549 . . . . 0.0 115.181 177.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.294 7.4 m120 60.38 25.1 14.62 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 116.029 1.863 . . . . 0.0 116.029 177.383 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -73.17 144.28 46.91 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.68 1.192 . . . . 0.0 109.383 168.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -112.19 143.71 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 124.741 1.216 . . . . 0.0 113.09 -178.503 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -130.13 160.83 32.59 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 126.993 2.117 . . . . 0.0 111.274 -175.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -87.69 -21.87 24.99 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 -174.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -138.32 153.25 49.0 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 125.645 1.578 . . . . 0.0 110.893 -176.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -60.15 -49.02 79.27 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.265 0.626 . . . . 0.0 112.076 -177.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -62.06 -24.76 67.29 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.499 0.925 . . . . 0.0 113.499 -178.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 63.2 m -71.95 -44.05 64.2 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.592 0.757 . . . . 0.0 111.719 177.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 45.1 tp -63.51 -46.19 87.21 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 122.604 0.362 . . . . 0.0 110.857 170.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -62.14 -33.92 75.4 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -173.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.32 -36.22 68.83 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.352 1.061 . . . . 0.0 113.022 171.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -63.24 -31.14 72.22 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.626 -0.671 . . . . 0.0 112.351 174.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 45.1 mt -57.52 -25.4 59.78 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 120.951 -1.093 . . . . 0.0 113.556 176.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -62.55 -12.98 25.88 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.801 1.24 . . . . 0.0 114.301 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 pt -85.34 -25.76 6.69 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 123.927 0.891 . . . . 0.0 112.715 170.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 . . . . . 0 CA--C 1.542 0.655 0 C-N-CA 126.827 2.051 . . . . 0.0 113.499 -176.014 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.3 pt . . . . . 0 N--CA 1.47 0.548 0 CA-C-O 121.323 0.582 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -124.91 132.37 53.31 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 126.865 2.066 . . . . 0.0 109.154 177.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.4 m -117.42 135.79 53.64 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.108 0.963 . . . . 0.0 111.951 -172.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.5 t -66.06 129.5 40.02 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.096 1.359 . . . . 0.0 111.274 172.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -79.47 -10.17 59.75 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.404 -0.81 . . . . 0.0 112.925 175.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -102.7 -33.8 9.28 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.895 1.278 . . . . 0.0 113.584 -173.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.3 p -135.84 0.04 2.63 Favored 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 115.162 1.541 . . . . 0.0 115.162 178.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.292 7.2 m120 60.51 25.73 15.37 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 115.953 1.834 . . . . 0.0 115.953 177.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -73.01 144.75 47.07 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.533 1.133 . . . . 0.0 109.323 168.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -115.16 144.34 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 124.735 1.214 . . . . 0.0 113.249 -175.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -134.29 160.73 37.01 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.976 2.11 . . . . 0.0 111.221 -174.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -88.95 -23.2 22.74 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 -175.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -135.24 153.18 52.01 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.619 1.568 . . . . 0.0 111.414 -173.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -60.11 -47.88 84.05 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.355 0.662 . . . . 0.0 112.072 -177.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 19.6 p-80 -63.48 -25.45 68.27 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.264 0.838 . . . . 0.0 113.264 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.4 m -72.14 -43.23 64.99 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.508 0.723 . . . . 0.0 111.593 178.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.8 tp -65.64 -46.74 78.04 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 122.656 0.383 . . . . 0.0 110.925 170.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 57.9 mm-40 -62.21 -32.64 73.33 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.352 0.661 . . . . 0.0 112.546 -173.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.72 -36.77 67.87 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.381 1.073 . . . . 0.0 113.155 170.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.8 t60 -62.87 -31.52 72.57 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.344 0.657 . . . . 0.0 112.281 174.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.3 mt -57.83 -24.21 56.36 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 120.928 -1.107 . . . . 0.0 113.69 176.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -62.62 -13.93 37.36 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.876 1.27 . . . . 0.0 114.18 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.0 pt -85.0 -25.56 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 123.9 0.88 . . . . 0.0 112.775 170.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 . . . . . 0 CA--C 1.543 0.71 0 C-N-CA 126.566 1.947 . . . . 0.0 113.01 -178.337 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.1 pp . . . . . 0 N--CA 1.469 0.494 0 CA-C-O 121.329 0.585 . . . . 0.0 111.551 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -123.28 126.07 46.22 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.748 1.619 . . . . 0.0 110.107 -177.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.3 m -110.3 134.12 52.58 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.112 0.965 . . . . 0.0 112.508 -171.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.0 t -69.3 123.9 22.41 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.195 1.398 . . . . 0.0 111.349 172.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -74.73 -8.48 56.52 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 177.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -102.78 -34.14 9.12 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.875 1.27 . . . . 0.0 113.515 -174.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.9 p -134.36 1.92 3.22 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.251 44.0 m-80 61.2 21.72 12.14 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 126.037 1.735 . . . . 0.0 115.485 177.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -73.86 143.38 45.88 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.635 1.174 . . . . 0.0 110.333 169.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -111.81 144.33 19.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 125.065 1.346 . . . . 0.0 113.107 -178.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -131.06 158.27 40.83 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 126.628 1.971 . . . . 0.0 111.582 -176.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -83.55 -24.03 31.77 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.669 1.188 . . . . 0.0 114.095 -174.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -137.8 154.36 49.56 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 125.841 1.657 . . . . 0.0 111.185 -175.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -60.03 -50.28 74.35 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.557 0.743 . . . . 0.0 112.092 -177.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 -61.78 -25.39 67.44 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -178.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.4 m -71.09 -44.06 66.44 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.581 0.752 . . . . 0.0 111.87 177.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.6 tp -63.88 -47.22 81.52 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 122.541 0.336 . . . . 0.0 110.651 170.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -62.35 -33.11 74.07 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -172.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.97 -37.88 66.91 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.61 1.164 . . . . 0.0 113.084 171.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -61.59 -32.2 72.29 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.318 0.647 . . . . 0.0 112.259 174.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.0 mt -56.4 -26.34 52.9 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 121.093 -1.005 . . . . 0.0 113.65 176.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -61.56 -20.04 62.83 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 -177.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.3 pt -77.96 -25.49 14.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 118.925 0.784 . . . . 0.0 112.514 172.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 . . . . . 0 CA--C 1.544 0.715 0 C-N-CA 126.876 2.07 . . . . 0.0 112.569 -179.668 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.8 pt . . . . . 0 N--CA 1.473 0.685 0 CA-C-O 121.286 0.565 . . . . 0.0 111.626 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -130.01 130.38 44.91 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 126.972 2.109 . . . . 0.0 109.392 176.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.9 m -114.67 133.78 55.6 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.27 1.028 . . . . 0.0 111.867 -172.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.4 t -67.85 123.6 21.02 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.209 1.404 . . . . 0.0 111.259 173.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -74.34 -8.37 56.01 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 177.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -103.46 -34.32 8.75 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.96 1.304 . . . . 0.0 113.568 -173.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.3 p -134.15 1.67 3.25 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 115.298 1.592 . . . . 0.0 115.298 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.25 42.8 m-80 60.86 22.58 12.66 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 126.03 1.732 . . . . 0.0 115.318 178.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -73.53 142.51 46.69 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.487 1.115 . . . . 0.0 110.091 169.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -111.88 144.1 20.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.792 1.237 . . . . 0.0 113.066 -178.03 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -131.73 162.66 29.95 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 127.378 2.271 . . . . 0.0 110.353 -178.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -87.81 -25.18 23.48 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -176.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -134.76 157.87 45.63 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.331 1.452 . . . . 0.0 111.577 -173.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -61.44 -52.45 64.51 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.416 0.686 . . . . 0.0 112.168 -176.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 19.8 p80 -60.93 -29.13 69.43 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.553 0.741 . . . . 0.0 112.945 -177.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.9 m -65.48 -45.95 81.64 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.12 0.968 . . . . 0.0 112.105 178.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.3 tp -66.94 -45.99 76.09 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.258 0.623 . . . . 0.0 110.817 171.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -60.79 -34.3 74.3 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.453 0.701 . . . . 0.0 112.276 -173.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.61 -33.42 68.97 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.737 1.215 . . . . 0.0 113.499 171.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -67.94 -31.04 70.51 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.448 0.699 . . . . 0.0 112.03 173.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.8 mt -58.24 -25.11 61.32 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 120.924 -1.11 . . . . 0.0 113.603 177.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 84.6 mtm180 -60.02 -16.34 30.1 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.814 1.246 . . . . 0.0 114.13 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 pt -83.8 -24.99 7.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 123.825 0.85 . . . . 0.0 112.704 172.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 . . . . . 0 CA--C 1.544 0.731 0 C-N-CA 126.968 2.107 . . . . 0.0 113.352 -177.352 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.1 pt . . . . . 0 N--CA 1.471 0.623 0 CA-C-O 121.272 0.558 . . . . 0.0 111.894 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -128.35 130.96 48.53 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.942 2.097 . . . . 0.0 109.408 176.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.1 m -115.79 134.68 54.76 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.278 1.031 . . . . 0.0 112.074 -171.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.4 t -67.48 126.86 30.62 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.424 1.49 . . . . 0.0 111.21 173.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -77.12 -9.64 58.87 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 176.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -102.23 -33.72 9.52 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.826 1.25 . . . . 0.0 113.654 -173.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.9 p -135.58 1.51 2.85 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 115.268 1.581 . . . . 0.0 115.268 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.4 m120 60.94 23.18 13.31 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.007 1.723 . . . . 0.0 115.597 178.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -72.7 143.54 48.02 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.848 1.259 . . . . 0.0 109.93 169.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -114.34 143.97 22.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 124.923 1.289 . . . . 0.0 113.167 -176.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -133.53 163.49 29.27 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 127.029 2.132 . . . . 0.0 111.184 -176.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -90.12 -22.69 21.64 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 -175.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -135.93 155.84 49.67 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.208 1.403 . . . . 0.0 111.453 -174.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -60.02 -49.77 76.36 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.628 0.771 . . . . 0.0 112.013 -179.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 11.6 p-80 -63.6 -25.51 68.26 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 -178.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.8 m -69.5 -46.18 67.18 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.772 0.829 . . . . 0.0 111.599 177.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.9 tp -65.32 -46.38 80.54 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.015 0.526 . . . . 0.0 110.801 172.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -62.42 -32.36 73.2 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.367 0.667 . . . . 0.0 112.58 -172.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.83 -36.87 67.59 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.399 1.08 . . . . 0.0 113.12 170.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -63.27 -31.22 72.32 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 121.613 -0.679 . . . . 0.0 112.314 174.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.9 mt -57.77 -24.53 57.62 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 120.859 -1.151 . . . . 0.0 113.736 176.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -62.96 -14.69 50.5 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.731 1.212 . . . . 0.0 114.067 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.9 pt -83.66 -26.14 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 123.881 0.873 . . . . 0.0 112.696 170.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 . . . . . 0 CA--C 1.543 0.687 0 C-N-CA 126.587 1.955 . . . . 0.0 113.091 -178.135 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.3 pp . . . . . 0 CA--C 1.537 0.452 0 CA-C-O 121.714 0.768 . . . . 0.0 112.357 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -125.4 125.74 43.88 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.678 1.991 . . . . 0.0 109.655 -178.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.5 m -109.03 134.45 51.65 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.03 0.932 . . . . 0.0 112.551 -171.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.5 t -67.85 126.32 29.05 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.238 1.415 . . . . 0.0 111.189 171.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -76.73 -9.36 58.62 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 176.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -103.12 -33.83 9.08 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.822 1.249 . . . . 0.0 113.747 -173.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.6 p -134.75 1.64 3.08 Favored 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.252 15.4 m120 61.39 22.17 12.62 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.077 1.751 . . . . 0.0 115.678 177.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -73.43 143.77 46.6 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.718 1.207 . . . . 0.0 110.149 169.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -112.45 143.03 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 125.043 1.337 . . . . 0.0 112.937 -178.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -130.45 159.62 36.5 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 126.582 1.953 . . . . 0.0 111.632 -176.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -86.04 -21.86 27.52 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -174.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -136.36 154.83 50.72 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.585 1.554 . . . . 0.0 111.335 -176.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -60.61 -48.93 79.6 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.458 0.703 . . . . 0.0 112.031 -178.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 11.0 p-80 -63.97 -24.72 67.83 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 74.2 m -70.24 -45.73 65.87 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.611 0.765 . . . . 0.0 111.6 177.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.3 tp -64.35 -46.62 82.65 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 122.727 0.411 . . . . 0.0 110.717 171.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -62.7 -32.35 73.43 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.346 0.659 . . . . 0.0 112.625 -172.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.34 -36.92 66.25 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.266 1.026 . . . . 0.0 113.128 170.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -62.78 -31.03 71.92 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.594 -0.691 . . . . 0.0 112.349 174.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.8 mt -57.65 -25.0 59.53 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 120.919 -1.113 . . . . 0.0 113.544 176.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -64.08 -11.87 33.82 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.844 1.258 . . . . 0.0 114.378 -179.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 pt -85.2 -26.68 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 123.928 0.891 . . . . 0.0 112.454 169.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 . . . . . 0 CA--C 1.544 0.718 0 C-N-CA 126.875 2.07 . . . . 0.0 113.126 -178.196 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 pp . . . . . 0 CA--C 1.538 0.5 0 CA-C-O 121.179 0.514 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -130.19 127.98 40.79 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 125.997 1.719 . . . . 0.0 109.808 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.7 m -108.94 134.83 51.08 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.028 0.931 . . . . 0.0 112.493 -171.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.9 t -69.91 123.21 20.93 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.96 1.304 . . . . 0.0 111.061 172.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -74.95 -8.21 55.84 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 177.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -103.59 -34.12 8.76 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.976 1.31 . . . . 0.0 113.625 -173.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.5 p -132.92 2.56 3.68 Favored 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 61.15 21.89 12.26 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 126.122 1.769 . . . . 0.0 115.485 176.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -76.47 144.59 39.76 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.987 0.915 . . . . 0.0 110.047 169.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.1 m -103.6 151.34 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 124.967 1.307 . . . . 0.0 113.169 173.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -134.43 159.4 41.2 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 127.657 2.383 . . . . 0.0 110.586 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -83.46 -26.19 30.5 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -174.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -137.5 153.23 50.07 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.579 1.552 . . . . 0.0 111.112 -174.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -60.25 -50.21 74.54 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.354 0.662 . . . . 0.0 112.123 -176.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -61.54 -24.97 67.0 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 -178.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.8 m -72.31 -43.83 63.59 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.583 0.753 . . . . 0.0 111.865 177.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.1 tp -64.12 -45.86 86.74 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 122.642 0.377 . . . . 0.0 110.726 170.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -61.48 -34.15 74.97 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.267 0.627 . . . . 0.0 112.527 -173.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.17 -36.1 66.54 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.19 0.996 . . . . 0.0 112.991 171.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -62.95 -30.75 71.81 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.574 -0.703 . . . . 0.0 112.31 173.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 45.6 mt -57.72 -24.81 58.76 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 120.958 -1.089 . . . . 0.0 113.425 175.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.4 mtp85 -61.74 -15.59 42.24 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.6 pt -83.07 -30.6 8.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 123.592 0.757 . . . . 0.0 111.971 170.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 . . . . . 0 CA--C 1.541 0.624 0 C-N-CA 126.317 1.847 . . . . 0.0 112.993 -178.277 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.1 pp . . . . . 0 CA--C 1.537 0.466 0 CA-C-O 121.406 0.622 . . . . 0.0 111.299 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -117.99 122.45 43.26 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.876 1.67 . . . . 0.0 109.783 -179.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.1 m -107.5 133.97 51.21 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.081 0.952 . . . . 0.0 112.468 -172.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.4 t -68.95 123.62 21.5 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.323 1.449 . . . . 0.0 111.322 172.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -74.43 -8.2 55.5 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 177.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -103.6 -34.42 8.65 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.985 1.314 . . . . 0.0 113.551 -173.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.8 p -133.98 1.83 3.31 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 115.354 1.613 . . . . 0.0 115.354 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.25 43.4 m-80 61.32 21.67 12.15 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.097 1.759 . . . . 0.0 115.454 178.094 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -73.21 143.06 47.3 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.559 1.143 . . . . 0.0 110.301 169.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -112.53 143.1 22.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 125.058 1.343 . . . . 0.0 112.931 -178.276 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -130.4 159.91 35.6 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.427 1.891 . . . . 0.0 111.637 -177.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -83.73 -24.1 31.32 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.523 1.129 . . . . 0.0 113.977 -174.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -137.78 154.31 49.58 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.612 1.565 . . . . 0.0 111.478 -174.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -59.46 -49.01 79.43 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.788 0.835 . . . . 0.0 112.328 -178.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.1 p-80 -63.61 -25.7 68.35 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.82 0.848 . . . . 0.0 113.281 -178.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.7 m -71.36 -43.95 65.95 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.53 0.732 . . . . 0.0 111.531 178.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.8 tp -65.17 -47.41 77.09 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 122.552 0.341 . . . . 0.0 110.808 170.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -62.33 -32.28 73.03 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.346 0.658 . . . . 0.0 112.755 -171.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.69 -37.26 62.69 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.182 0.993 . . . . 0.0 113.061 170.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -61.24 -31.25 71.04 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.616 -0.678 . . . . 0.0 112.188 173.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.7 mt -57.06 -26.07 59.74 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.002 -1.061 . . . . 0.0 113.342 175.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.8 mtt-85 -63.93 -10.45 21.19 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -178.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.2 pt -85.08 -25.38 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 123.798 0.839 . . . . 0.0 112.472 169.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 . . . . . 0 CA--C 1.544 0.747 0 C-N-CA 127.329 2.252 . . . . 0.0 113.266 -177.609 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.9 pp . . . . . 0 N--CA 1.47 0.542 0 CA-C-O 121.907 0.861 . . . . 0.0 112.677 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -127.55 128.5 45.73 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.498 1.919 . . . . 0.0 109.66 178.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.9 m -110.04 135.44 50.86 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.086 0.955 . . . . 0.0 112.45 -171.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.2 t -69.73 125.96 28.29 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.763 1.225 . . . . 0.0 110.919 172.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -77.06 -9.41 58.7 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 176.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -102.85 -33.77 9.23 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.909 1.284 . . . . 0.0 113.697 -173.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.8 p -133.73 2.32 3.43 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 115.08 1.511 . . . . 0.0 115.08 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.5 m120 61.42 22.18 12.63 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 115.677 1.732 . . . . 0.0 115.677 175.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -76.29 145.2 39.79 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.125 0.97 . . . . 0.0 109.825 169.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -104.03 151.18 6.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 125.022 1.329 . . . . 0.0 113.131 173.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -135.08 159.13 42.5 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 127.657 2.383 . . . . 0.0 110.494 -179.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -83.07 -23.94 32.92 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 114.063 1.135 . . . . 0.0 114.063 -175.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -138.08 152.79 49.12 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.478 1.511 . . . . 0.0 111.684 -173.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -58.44 -49.86 75.79 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.966 0.906 . . . . 0.0 112.274 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.3 p-80 -63.67 -25.98 68.46 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.745 0.818 . . . . 0.0 113.168 -178.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.5 m -72.47 -43.09 64.2 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.506 0.722 . . . . 0.0 111.651 178.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.6 tp -64.59 -46.76 81.33 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 122.729 0.412 . . . . 0.0 110.742 170.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -61.87 -33.43 74.19 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.536 0.734 . . . . 0.0 112.5 -173.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.3 -35.42 66.1 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.409 1.084 . . . . 0.0 113.179 171.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -63.78 -31.96 73.31 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.37 0.668 . . . . 0.0 112.162 173.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.7 mt -56.9 -24.81 54.82 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 120.993 -1.067 . . . . 0.0 113.481 176.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 -62.93 -19.24 64.06 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -179.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.5 pt -78.2 -32.04 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 O-C-N 121.419 -0.801 . . . . 0.0 111.629 170.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 . . . . . 0 CA--C 1.543 0.683 0 C-N-CA 125.684 1.594 . . . . 0.0 112.139 178.177 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.6 pp . . . . . 0 N--CA 1.472 0.655 0 CA-C-O 121.231 0.539 . . . . 0.0 111.538 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -132.5 131.46 41.65 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 126.437 1.895 . . . . 0.0 109.938 -177.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.9 m -114.99 135.56 54.1 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.149 0.98 . . . . 0.0 112.379 -171.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.6 t -66.05 128.71 37.16 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.998 1.319 . . . . 0.0 111.106 171.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -79.08 -9.57 59.59 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.461 -0.774 . . . . 0.0 112.878 175.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -103.58 -33.81 8.87 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.927 1.291 . . . . 0.0 113.63 -173.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.0 p -135.11 0.15 2.82 Favored 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 115.212 1.56 . . . . 0.0 115.212 177.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.295 7.4 m120 60.69 25.37 15.15 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 115.991 1.849 . . . . 0.0 115.991 177.414 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -73.2 144.06 46.93 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.598 1.159 . . . . 0.0 109.392 167.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -112.71 144.43 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.818 1.247 . . . . 0.0 113.14 -177.368 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -131.92 160.79 34.73 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 127.187 2.195 . . . . 0.0 110.963 -175.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -88.85 -22.71 23.06 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 -174.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -135.69 155.21 50.77 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.578 1.551 . . . . 0.0 110.748 -175.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -63.09 -52.01 64.34 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.843 -0.536 . . . . 0.0 111.963 -175.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -60.47 -26.82 67.07 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.167 0.802 . . . . 0.0 113.167 -178.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 71.9 m -66.34 -45.43 80.24 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.978 0.911 . . . . 0.0 111.873 176.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.2 tp -64.6 -45.32 87.45 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.071 0.549 . . . . 0.0 110.887 170.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -59.99 -36.12 76.51 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 118.643 0.656 . . . . 0.0 112.246 -174.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.11 -36.57 74.94 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.477 1.111 . . . . 0.0 112.973 172.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -63.85 -31.16 72.25 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.273 0.629 . . . . 0.0 112.355 174.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.9 mt -58.55 -24.78 61.52 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 120.88 -1.137 . . . . 0.0 113.578 176.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -62.67 -14.24 41.5 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.801 1.24 . . . . 0.0 114.141 -178.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.0 pt -84.21 -24.93 7.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 123.981 0.912 . . . . 0.0 112.657 170.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 . . . . . 0 CA--C 1.544 0.736 0 C-N-CA 126.975 2.11 . . . . 0.0 113.442 -176.531 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.6 pt . . . . . 0 N--CA 1.475 0.794 0 CA-C-O 121.611 0.719 . . . . 0.0 112.3 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -126.98 132.23 50.86 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.852 2.061 . . . . 0.0 109.379 175.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.1 m -117.27 134.11 55.19 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.168 0.987 . . . . 0.0 111.9 -172.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.8 t -67.15 123.65 20.89 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.394 1.478 . . . . 0.0 111.25 173.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -74.35 -8.0 54.78 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 177.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -103.84 -34.23 8.61 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.968 1.307 . . . . 0.0 113.551 -173.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.4 p -134.92 1.52 3.02 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 115.361 1.615 . . . . 0.0 115.361 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.254 42.7 m-80 61.23 22.56 12.88 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 126.038 1.735 . . . . 0.0 115.484 178.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -72.86 143.78 47.68 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.518 1.127 . . . . 0.0 110.029 169.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -115.03 144.25 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 124.888 1.275 . . . . 0.0 113.355 -174.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -133.93 162.32 32.38 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 127.04 2.136 . . . . 0.0 111.355 -175.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -90.71 -22.95 20.87 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -174.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -137.88 155.37 49.03 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.86 1.664 . . . . 0.0 110.943 -175.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -61.79 -52.79 62.75 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.154 0.582 . . . . 0.0 112.388 -174.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -60.19 -27.66 67.33 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.716 0.806 . . . . 0.0 113.115 -177.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 64.7 m -66.99 -44.48 80.28 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.0 0.92 . . . . 0.0 111.905 177.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.8 tp -65.25 -45.42 84.66 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.235 0.614 . . . . 0.0 110.819 169.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -58.91 -37.1 75.87 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 118.652 0.66 . . . . 0.0 112.29 -174.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.06 -36.57 75.08 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.228 1.011 . . . . 0.0 112.989 173.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -63.65 -31.13 72.2 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.084 0.554 . . . . 0.0 112.251 173.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.9 mt -58.68 -25.79 63.19 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 120.922 -1.111 . . . . 0.0 113.581 177.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 92.2 mtt-85 -60.05 -19.38 52.62 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -178.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 pt -78.99 -23.31 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 123.78 0.832 . . . . 0.0 112.699 173.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 . . . . . 0 CA--C 1.545 0.76 0 C-N-CA 127.338 2.255 . . . . 0.0 113.472 -177.439 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 pp . . . . . 0 N--CA 1.468 0.465 0 CA-C-O 121.389 0.614 . . . . 0.0 111.582 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -125.14 125.05 43.1 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.033 1.733 . . . . 0.0 109.743 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.5 m -109.9 134.06 52.49 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.142 0.977 . . . . 0.0 112.28 -171.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.7 t -68.74 123.27 20.47 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.254 1.422 . . . . 0.0 111.231 172.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -74.16 -8.16 55.17 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 177.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -104.06 -34.29 8.48 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.997 1.319 . . . . 0.0 113.619 -173.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.1 p -134.05 2.01 3.31 Favored 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.25 43.6 m-80 61.34 21.74 12.22 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.092 1.757 . . . . 0.0 115.502 177.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -72.89 142.51 47.91 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.636 1.174 . . . . 0.0 110.312 169.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -111.87 144.15 20.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.941 1.297 . . . . 0.0 113.085 -178.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -131.63 161.04 33.66 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.556 1.942 . . . . 0.0 111.69 -177.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -84.82 -24.76 28.52 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -175.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -135.9 155.28 50.54 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.481 1.512 . . . . 0.0 111.588 -174.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -60.32 -49.64 76.81 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.699 0.8 . . . . 0.0 112.111 -178.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 11.3 p-80 -63.84 -24.93 67.94 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.769 0.828 . . . . 0.0 113.199 -178.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.9 m -70.08 -45.98 65.87 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.714 0.806 . . . . 0.0 111.574 177.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.4 tp -64.57 -46.68 81.7 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 122.867 0.467 . . . . 0.0 110.594 171.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -62.43 -32.24 73.06 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.299 0.64 . . . . 0.0 112.597 -172.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.47 -37.95 65.61 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.309 1.044 . . . . 0.0 113.052 170.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -61.81 -31.01 71.21 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.622 -0.674 . . . . 0.0 112.311 174.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.7 mt -57.9 -25.13 60.4 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 120.987 -1.071 . . . . 0.0 113.565 175.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 74.1 mtp85 -62.21 -15.31 45.81 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -177.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.9 pt -82.77 -28.42 8.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 123.82 0.848 . . . . 0.0 112.27 171.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 . . . . . 0 CA--C 1.542 0.64 0 C-N-CA 126.777 2.031 . . . . 0.0 113.207 -177.546 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.6 pt . . . . . 0 N--CA 1.473 0.704 0 CA-C-O 121.261 0.553 . . . . 0.0 111.438 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -122.03 130.72 53.53 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 126.616 1.966 . . . . 0.0 109.617 176.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.8 m -115.78 135.59 53.87 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.193 0.997 . . . . 0.0 112.118 -172.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.1 t -65.97 129.28 39.26 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.237 1.415 . . . . 0.0 111.245 172.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -79.53 -9.6 59.65 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.415 -0.803 . . . . 0.0 112.951 175.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -103.18 -33.83 9.06 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.853 1.261 . . . . 0.0 113.591 -173.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.3 p -135.61 0.08 2.69 Favored 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 177.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.291 7.3 m120 60.25 25.8 15.23 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 115.92 1.822 . . . . 0.0 115.92 178.434 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -72.92 145.14 47.03 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.497 1.119 . . . . 0.0 109.357 168.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -116.15 143.32 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 124.745 1.218 . . . . 0.0 113.123 -174.54 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -133.35 160.65 36.72 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 126.711 2.004 . . . . 0.0 111.345 -174.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -89.06 -22.81 22.75 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.371 1.249 . . . . 0.0 114.371 -174.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -137.08 155.37 49.73 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 125.806 1.643 . . . . 0.0 111.224 -176.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -60.58 -49.71 76.44 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.341 0.657 . . . . 0.0 112.041 -176.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -61.44 -25.26 67.1 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -178.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.1 m -71.15 -44.12 66.17 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.775 0.83 . . . . 0.0 111.896 177.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.4 tp -65.03 -46.13 82.6 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 122.779 0.432 . . . . 0.0 110.922 170.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -62.0 -33.72 74.86 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -173.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.25 -36.15 69.0 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.454 1.101 . . . . 0.0 113.027 171.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -63.36 -31.24 72.34 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.313 0.645 . . . . 0.0 112.294 174.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.0 mt -57.95 -24.6 58.66 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 120.941 -1.099 . . . . 0.0 113.792 176.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -62.17 -14.56 38.7 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.815 1.246 . . . . 0.0 114.226 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.9 pt -84.72 -25.96 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 123.866 0.866 . . . . 0.0 112.756 171.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 . . . . . 0 CA--C 1.541 0.621 0 C-N-CA 126.684 1.994 . . . . 0.0 113.273 -177.158 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.5 pt . . . . . 0 N--CA 1.471 0.614 0 CA-C-O 121.64 0.733 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -123.72 137.23 54.74 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.223 2.209 . . . . 0.0 109.328 174.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.1 m -119.68 135.7 54.72 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 119.4 1.0 . . . . 0.0 111.787 -174.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.4 t -69.93 124.02 22.98 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.168 1.387 . . . . 0.0 111.064 174.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -75.09 -8.6 57.01 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 177.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -102.93 -34.1 9.08 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.955 1.302 . . . . 0.0 113.579 -173.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.1 p -133.36 2.01 3.5 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 115.212 1.56 . . . . 0.0 115.212 179.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.25 43.2 m-80 60.95 22.73 12.89 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.891 1.677 . . . . 0.0 115.34 177.602 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -75.83 144.72 41.13 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.382 -0.824 . . . . 0.0 109.902 169.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -104.88 150.87 7.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 125.214 1.406 . . . . 0.0 113.288 176.537 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -137.61 162.87 32.64 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 127.773 2.429 . . . . 0.0 111.004 -178.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -90.89 -23.83 20.39 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.336 1.235 . . . . 0.0 114.336 -175.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -136.17 154.48 50.95 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 125.298 1.439 . . . . 0.0 111.568 -174.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -60.57 -50.41 73.64 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.639 0.776 . . . . 0.0 112.017 -178.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.9 p-80 -63.14 -25.62 68.44 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.837 0.855 . . . . 0.0 113.192 -178.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.6 m -69.89 -45.94 66.54 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.743 0.817 . . . . 0.0 111.679 177.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.7 tp -65.99 -45.56 81.17 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 122.913 0.485 . . . . 0.0 110.726 172.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -62.18 -33.25 74.17 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.492 0.717 . . . . 0.0 112.656 -173.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.59 -35.45 65.4 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.985 0.914 . . . . 0.0 113.031 170.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -63.54 -30.59 71.68 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.519 -0.738 . . . . 0.0 112.223 174.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.9 mt -57.53 -24.33 55.41 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 120.94 -1.1 . . . . 0.0 113.419 175.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 68.7 mtp85 -62.06 -13.53 27.23 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 pt -85.72 -25.37 6.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 124.013 0.925 . . . . 0.0 112.745 170.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 . . . . . 0 CA--C 1.543 0.674 0 C-N-CA 126.814 2.046 . . . . 0.0 113.602 -176.095 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.3 pt . . . . . 0 N--CA 1.472 0.63 0 CA-C-O 120.965 0.412 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -125.18 127.38 46.7 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.734 1.614 . . . . 0.0 109.642 176.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.8 m -114.43 135.63 53.89 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.367 1.067 . . . . 0.0 112.272 -172.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.9 t -66.62 129.76 40.92 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.072 1.349 . . . . 0.0 111.37 172.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -79.61 -9.98 59.72 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 121.429 -0.794 . . . . 0.0 112.962 175.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -103.02 -34.3 8.96 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.905 1.282 . . . . 0.0 113.576 -173.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.1 p -135.32 0.35 2.79 Favored 'General case' 0 CA--C 1.552 1.021 0 N-CA-C 115.289 1.589 . . . . 0.0 115.289 178.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.291 7.3 m120 60.25 25.6 15.03 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 116.107 1.892 . . . . 0.0 116.107 177.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -72.24 144.23 48.52 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.508 1.123 . . . . 0.0 109.442 168.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -116.12 143.13 26.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 124.916 1.287 . . . . 0.0 113.165 -175.517 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -133.7 164.7 26.62 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 126.478 1.911 . . . . 0.0 111.629 -175.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm -81.92 -31.05 31.55 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.398 1.479 . . . . 0.0 114.014 -176.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -138.42 157.76 45.59 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.222 1.409 . . . . 0.0 111.918 -171.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -58.12 -50.06 74.82 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.047 0.939 . . . . 0.0 112.194 -178.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.9 p-80 -63.44 -25.77 68.43 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -177.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.5 m -69.91 -45.97 66.41 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.615 0.766 . . . . 0.0 111.774 177.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.8 tp -64.98 -46.75 80.16 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.018 0.527 . . . . 0.0 110.642 172.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.5 mm-40 -62.02 -32.94 73.49 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.57 0.748 . . . . 0.0 112.36 -172.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.83 -34.42 66.8 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.673 1.189 . . . . 0.0 113.467 171.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 57.2 t60 -66.24 -32.24 73.54 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.461 0.704 . . . . 0.0 111.893 173.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.0 mt -57.2 -25.82 59.65 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.715 1.006 . . . . 0.0 113.715 177.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 84.2 mtm180 -60.15 -21.84 62.12 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -179.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.0 pt -76.39 -26.92 17.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 CA-C-N 118.898 0.772 . . . . 0.0 112.068 173.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 . . . . . 0 CA--C 1.544 0.727 0 C-N-CA 126.492 1.917 . . . . 0.0 112.689 179.288 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 pp . . . . . 0 N--CA 1.47 0.57 0 CA-C-O 121.879 0.847 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -124.27 134.87 53.1 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 126.23 1.812 . . . . 0.0 110.606 178.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.0 m -116.85 136.27 53.08 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.384 1.073 . . . . 0.0 112.339 -171.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.1 t -68.06 125.72 27.24 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.793 1.237 . . . . 0.0 111.536 172.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -77.35 -8.46 57.71 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.299 -0.876 . . . . 0.0 113.107 175.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -104.76 -31.98 9.07 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.072 1.349 . . . . 0.0 113.899 -173.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.3 p -137.54 0.12 2.23 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 115.069 1.507 . . . . 0.0 115.069 178.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.315 0.5 OUTLIER 62.48 24.25 14.43 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 116.78 2.141 . . . . 0.0 116.78 174.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -73.98 143.67 45.52 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.928 1.291 . . . . 0.0 109.6 168.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -109.52 146.43 14.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.776 1.23 . . . . 0.0 112.883 179.318 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -132.85 156.21 47.59 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.812 2.045 . . . . 0.0 111.257 -175.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -80.43 -22.91 40.72 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.814 1.246 . . . . 0.0 113.953 -175.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -139.2 154.16 47.99 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 125.777 1.631 . . . . 0.0 111.221 -174.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -59.44 -50.08 75.34 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.864 0.866 . . . . 0.0 112.047 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -61.63 -27.15 68.46 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -177.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 57.8 m -69.56 -44.84 70.06 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.753 0.821 . . . . 0.0 111.958 176.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.7 tp -63.54 -46.9 83.86 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 122.442 0.297 . . . . 0.0 110.814 171.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -61.74 -33.73 74.57 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -172.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.47 -36.56 65.85 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.383 1.073 . . . . 0.0 113.009 171.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -62.26 -31.14 71.68 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.363 0.665 . . . . 0.0 112.238 173.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 48.7 mt -57.54 -25.33 59.73 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 121.019 -1.051 . . . . 0.0 113.458 175.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -62.0 -15.95 47.89 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -179.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 pt -82.5 -26.96 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 123.636 0.774 . . . . 0.0 112.495 171.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 . . . . . 0 CA--C 1.543 0.684 0 C-N-CA 126.617 1.967 . . . . 0.0 113.189 -177.473 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.4 pt . . . . . 0 N--CA 1.472 0.629 0 CA-C-O 121.361 0.601 . . . . 0.0 112.338 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -129.3 123.7 32.49 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.97 2.108 . . . . 0.0 109.028 173.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.6 m -109.51 134.68 51.6 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.908 0.883 . . . . 0.0 112.639 -170.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.3 t -67.03 129.61 40.44 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.045 1.338 . . . . 0.0 111.119 172.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -79.82 -10.24 59.76 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.364 -0.835 . . . . 0.0 112.89 175.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -102.2 -34.23 9.34 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.902 1.281 . . . . 0.0 113.544 -173.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.1 p -134.36 0.35 3.06 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.294 7.7 m120 60.03 25.39 14.63 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 115.911 1.819 . . . . 0.0 115.911 177.558 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -73.68 143.83 46.06 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.707 1.203 . . . . 0.0 109.489 168.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -111.83 142.47 24.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 124.77 1.228 . . . . 0.0 112.729 -179.398 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -128.98 162.6 27.22 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 126.642 1.977 . . . . 0.0 110.993 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm -77.11 -31.94 56.2 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.817 1.247 . . . . 0.0 113.919 -175.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -139.19 160.48 39.71 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.174 1.39 . . . . 0.0 111.906 -170.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -59.15 -52.14 66.99 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.944 0.898 . . . . 0.0 112.444 -176.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 19.1 p80 -62.14 -28.38 69.6 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -177.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.1 m -66.18 -46.52 77.04 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.736 0.814 . . . . 0.0 111.906 177.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.0 tp -64.89 -46.0 83.61 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.03 0.532 . . . . 0.0 110.837 172.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -62.13 -32.97 73.62 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.409 0.683 . . . . 0.0 112.509 -173.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.44 -36.32 65.89 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.362 1.065 . . . . 0.0 113.066 171.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 61.4 t60 -62.37 -31.68 72.37 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.568 -0.708 . . . . 0.0 112.283 173.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.3 mt -57.33 -24.83 57.58 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 121.04 -1.038 . . . . 0.0 113.508 176.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.8 mtp85 -61.4 -15.75 39.86 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.0 pt -83.01 -26.09 8.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 123.585 0.754 . . . . 0.0 112.643 171.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 . . . . . 0 CA--C 1.544 0.718 0 C-N-CA 126.718 2.007 . . . . 0.0 113.131 -178.067 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.9 pt . . . . . 0 N--CA 1.472 0.644 0 CA-C-O 121.259 0.552 . . . . 0.0 111.275 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -127.17 134.35 50.17 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 126.056 1.743 . . . . 0.0 109.76 176.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.5 m -118.62 136.47 53.87 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.086 0.954 . . . . 0.0 111.741 -172.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.3 t -66.46 128.46 36.28 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.747 1.219 . . . . 0.0 110.678 171.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -75.55 -18.41 59.77 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 121.187 -0.946 . . . . 0.0 111.364 175.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -100.75 -32.77 10.55 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.93 1.292 . . . . 0.0 114.205 -169.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.3 p -133.5 0.21 3.29 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 115.087 1.514 . . . . 0.0 115.087 176.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.303 7.4 m120 61.03 25.77 15.78 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 116.033 1.864 . . . . 0.0 116.033 175.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -74.01 144.94 44.93 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.701 0.8 . . . . 0.0 108.893 167.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -105.53 151.19 7.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 124.99 1.316 . . . . 0.0 113.155 176.257 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -137.95 165.67 25.96 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 127.82 2.448 . . . . 0.0 110.76 -178.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -88.13 -30.46 19.81 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.35 1.46 . . . . 0.0 114.027 -176.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -135.8 152.55 51.2 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 125.613 1.565 . . . . 0.0 111.402 -173.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -59.79 -50.86 72.17 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.529 0.732 . . . . 0.0 112.035 -176.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -61.87 -25.02 67.29 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -177.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.6 m -71.7 -43.78 65.34 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.077 0.551 . . . . 0.0 111.865 176.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.2 tp -64.21 -44.07 93.06 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.139 0.576 . . . . 0.0 110.885 170.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -58.86 -37.76 77.24 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.315 0.646 . . . . 0.0 112.203 -175.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.08 -35.31 74.1 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.217 1.007 . . . . 0.0 112.95 173.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -65.38 -30.47 71.29 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.208 0.603 . . . . 0.0 112.451 174.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 46.1 mt -58.98 -24.2 62.47 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 120.728 -1.232 . . . . 0.0 113.569 176.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -62.57 -13.52 32.05 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.183 1.393 . . . . 0.0 114.14 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.5 pt -86.01 -26.12 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.016 0.926 . . . . 0.0 112.609 170.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 . . . . . 0 CA--C 1.541 0.614 0 C-N-CA 126.725 2.01 . . . . 0.0 113.166 -176.376 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.636 0 N-CA-C 111.719 -0.552 . . . . 0.0 111.719 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.0 m -67.87 147.77 52.06 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.393 1.077 . . . . 0.0 113.013 -178.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.4 p -80.35 -13.06 59.48 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.896 1.278 . . . . 0.0 114.373 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.15 -169.15 38.63 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 125.601 1.572 . . . . 0.0 112.773 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.1 m -133.81 147.7 51.26 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.187 1.395 . . . . 0.0 111.882 -178.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.4 m -144.58 161.28 39.52 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.527 1.531 . . . . 0.0 112.027 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.82 -136.94 2.44 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 125.263 1.411 . . . . 0.0 111.597 -177.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.8 tmtt? -63.7 136.36 57.41 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.886 0.874 . . . . 0.0 110.405 171.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.1 pp -120.07 169.12 11.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 125.815 1.646 . . . . 0.0 112.795 -174.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -127.84 123.9 36.25 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.638 1.975 . . . . 0.0 109.738 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.4 m -110.15 134.52 52.11 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.15 0.98 . . . . 0.0 112.468 -171.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.9 t -69.43 124.04 22.83 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.242 1.417 . . . . 0.0 111.484 172.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -74.46 -8.18 55.46 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 177.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -104.78 -34.64 8.03 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.874 1.269 . . . . 0.0 113.543 -173.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.8 p -133.09 1.98 3.58 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 115.249 1.574 . . . . 0.0 115.249 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 60.93 21.76 11.99 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 126.06 1.744 . . . . 0.0 115.352 178.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -71.98 141.46 49.38 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.465 1.106 . . . . 0.0 110.233 169.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -111.74 143.07 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 125.023 1.329 . . . . 0.0 112.782 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -130.48 159.26 37.6 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 126.416 1.887 . . . . 0.0 111.585 -178.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -84.64 -22.0 30.06 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.639 1.176 . . . . 0.0 114.011 -176.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -136.97 147.03 46.06 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.555 1.542 . . . . 0.0 111.702 -175.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -58.71 -47.35 84.86 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.343 1.057 . . . . 0.0 112.811 -175.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 15.1 p-80 -62.02 -25.22 67.52 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.674 0.79 . . . . 0.0 113.009 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.0 t -70.73 -43.95 67.86 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.722 0.809 . . . . 0.0 110.785 177.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 54.5 tp -65.31 -50.66 64.82 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.48 0.712 . . . . 0.0 111.541 171.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -58.91 -34.2 71.42 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.483 0.713 . . . . 0.0 112.581 -173.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.93 -34.01 64.18 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.414 1.086 . . . . 0.0 113.581 173.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -65.76 -31.09 71.88 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.069 0.947 . . . . 0.0 112.036 173.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 50.5 mt -57.71 -26.56 61.94 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 120.993 -1.067 . . . . 0.0 113.545 177.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.8 mtm180 -62.19 -14.07 34.04 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 pt -83.08 -25.19 8.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 123.933 0.893 . . . . 0.0 112.555 171.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -96.57 -29.73 13.7 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 127.332 2.253 . . . . 0.0 113.492 -177.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.4 t -133.28 166.81 21.63 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.496 1.518 . . . . 0.0 112.818 -175.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -136.38 163.29 30.8 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.887 1.675 . . . . 0.0 112.382 -178.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -140.85 147.53 39.1 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.311 1.445 . . . . 0.0 111.4 -178.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm . . . . . 0 C--O 1.253 1.258 0 C-N-CA 126.034 1.733 . . . . 0.0 111.22 178.591 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.611 0 N-CA-C 112.09 -0.404 . . . . 0.0 112.09 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.3 t -149.4 150.79 32.97 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.149 1.38 . . . . 0.0 111.822 178.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 m -74.67 -16.12 60.78 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.664 1.186 . . . . 0.0 113.25 172.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.9 -178.53 36.42 Favored Glycine 0 CA--C 1.539 1.541 0 C-N-CA 124.788 1.185 . . . . 0.0 114.449 -176.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.0 p -133.16 1.3 3.5 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.199 1.4 . . . . 0.0 114.675 -175.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.9 m -76.75 -18.48 58.44 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 -173.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.26 147.38 42.49 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 124.286 0.946 . . . . 0.0 113.906 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -75.3 145.3 41.93 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.169 0.988 . . . . 0.0 112.019 175.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.6 pp -135.32 157.3 39.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 125.494 1.518 . . . . 0.0 111.883 171.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -132.46 134.14 44.71 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.825 2.05 . . . . 0.0 109.658 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.3 m -116.45 134.39 54.92 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.184 0.993 . . . . 0.0 112.256 -172.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.5 t -68.56 123.93 22.19 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.385 1.474 . . . . 0.0 111.354 173.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -74.49 -8.61 56.88 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 177.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -102.83 -34.23 9.07 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.979 1.312 . . . . 0.0 113.54 -174.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.8 p -134.1 1.48 3.25 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 115.257 1.577 . . . . 0.0 115.257 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 60.53 22.6 12.31 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.055 1.742 . . . . 0.0 115.198 179.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -73.1 142.28 47.54 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.781 1.232 . . . . 0.0 110.068 169.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -111.24 145.1 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 124.754 1.221 . . . . 0.0 113.211 -178.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -132.55 164.2 27.15 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 127.491 2.316 . . . . 0.0 110.934 -177.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -90.46 -22.64 21.29 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.231 1.196 . . . . 0.0 114.231 -175.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -136.38 155.12 50.48 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.258 1.423 . . . . 0.0 111.435 -175.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -59.8 -49.49 77.5 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.583 0.753 . . . . 0.0 111.941 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -63.96 -25.07 67.97 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -178.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.9 m -70.07 -46.16 65.53 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.725 0.81 . . . . 0.0 111.55 177.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.4 tp -65.38 -45.81 82.62 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.182 0.593 . . . . 0.0 110.852 172.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 67.1 mm-40 -61.82 -32.69 73.02 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.42 0.688 . . . . 0.0 112.469 -173.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.99 -35.9 66.95 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.443 1.097 . . . . 0.0 113.16 170.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -64.01 -30.83 71.88 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.663 -0.648 . . . . 0.0 112.309 174.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.5 mt -58.7 -25.66 63.1 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 120.957 -1.089 . . . . 0.0 113.726 176.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -57.26 -23.55 48.99 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.746 1.218 . . . . 0.0 113.695 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 pt -79.87 -28.92 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 123.867 0.867 . . . . 0.0 112.472 175.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -87.23 -37.93 16.8 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.035 1.734 . . . . 0.0 113.063 -174.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.7 t -101.76 25.68 8.29 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.881 1.272 . . . . 0.0 112.964 177.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -64.71 142.44 58.43 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.542 1.137 . . . . 0.0 111.397 172.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -117.69 -0.15 11.88 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.52 1.528 . . . . 0.0 114.361 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt . . . . . 0 C--O 1.254 1.309 0 C-N-CA 125.7 1.6 . . . . 0.0 112.724 -177.27 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.575 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.4 p -68.16 158.67 32.65 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.202 1.001 . . . . 0.0 112.775 174.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.1 p 56.89 19.36 4.47 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 116.476 2.028 . . . . 0.0 116.476 -178.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.75 155.53 50.09 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 124.466 1.031 . . . . 0.0 114.098 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.1 p -79.43 -10.83 59.88 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 -176.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.0 p -144.71 162.93 35.48 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.835 1.654 . . . . 0.0 112.42 178.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.2 -167.29 54.3 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 124.327 0.965 . . . . 0.0 114.418 -178.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.7 tptp -143.43 138.21 29.17 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.942 1.697 . . . . 0.0 110.813 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 pp -130.05 164.88 31.65 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 126.349 1.86 . . . . 0.0 111.451 176.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -132.09 130.52 41.33 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 126.443 1.897 . . . . 0.0 109.888 -177.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.1 m -112.64 135.67 53.11 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.946 0.899 . . . . 0.0 112.766 -170.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.1 t -66.52 129.36 39.58 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.066 1.346 . . . . 0.0 111.293 171.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -79.63 -10.06 59.73 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.523 -0.736 . . . . 0.0 112.845 175.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -103.13 -33.84 9.08 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.959 1.304 . . . . 0.0 113.705 -173.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.2 p -134.79 0.07 2.9 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 115.181 1.549 . . . . 0.0 115.181 177.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.294 7.4 m120 60.38 25.1 14.62 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 116.029 1.863 . . . . 0.0 116.029 177.383 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -73.17 144.28 46.91 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.68 1.192 . . . . 0.0 109.383 168.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -112.19 143.71 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 124.741 1.216 . . . . 0.0 113.09 -178.503 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -130.13 160.83 32.59 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 126.993 2.117 . . . . 0.0 111.274 -175.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -87.69 -21.87 24.99 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 -174.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -138.32 153.25 49.0 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 125.645 1.578 . . . . 0.0 110.893 -176.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -60.15 -49.02 79.27 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.265 0.626 . . . . 0.0 112.076 -177.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -62.06 -24.76 67.29 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.499 0.925 . . . . 0.0 113.499 -178.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 63.2 m -71.95 -44.05 64.2 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.592 0.757 . . . . 0.0 111.719 177.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 45.1 tp -63.51 -46.19 87.21 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 122.604 0.362 . . . . 0.0 110.857 170.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -62.14 -33.92 75.4 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -173.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.32 -36.22 68.83 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.352 1.061 . . . . 0.0 113.022 171.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -63.24 -31.14 72.22 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.626 -0.671 . . . . 0.0 112.351 174.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 45.1 mt -57.52 -25.4 59.78 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 120.951 -1.093 . . . . 0.0 113.556 176.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -62.55 -12.98 25.88 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.801 1.24 . . . . 0.0 114.301 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 pt -85.34 -25.76 6.69 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 123.927 0.891 . . . . 0.0 112.715 170.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -93.79 -28.08 16.1 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.827 2.051 . . . . 0.0 113.499 -176.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.6 t -127.69 161.67 28.37 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.305 1.442 . . . . 0.0 112.52 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -141.78 163.29 33.29 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.874 1.67 . . . . 0.0 111.463 -175.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -70.56 157.43 37.91 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.28 1.032 . . . . 0.0 113.475 177.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.6 tptt . . . . . 0 C--O 1.253 1.237 0 C-N-CA 126.09 1.756 . . . . 0.0 111.368 -178.985 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.588 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.0 m -68.91 -19.5 64.21 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 -179.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.8 p -140.46 160.22 40.48 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.462 1.905 . . . . 0.0 111.514 174.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.77 145.52 26.16 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 124.187 0.898 . . . . 0.0 113.54 178.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.4 m -80.15 148.6 30.86 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.482 1.113 . . . . 0.0 112.513 177.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.2 p -83.55 154.35 23.88 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.658 1.183 . . . . 0.0 112.658 173.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.67 -166.0 40.0 Favored Glycine 0 CA--C 1.539 1.539 0 C-N-CA 124.33 0.967 . . . . 0.0 114.312 -177.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.2 tptt -91.02 135.17 33.93 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.846 1.258 . . . . 0.0 111.333 175.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.3 pt -133.09 159.49 43.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 126.304 1.842 . . . . 0.0 111.3 169.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -124.91 132.37 53.31 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 126.865 2.066 . . . . 0.0 109.154 177.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.4 m -117.42 135.79 53.64 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.108 0.963 . . . . 0.0 111.951 -172.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.5 t -66.06 129.5 40.02 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.096 1.359 . . . . 0.0 111.274 172.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -79.47 -10.17 59.75 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.404 -0.81 . . . . 0.0 112.925 175.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -102.7 -33.8 9.28 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.895 1.278 . . . . 0.0 113.584 -173.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.3 p -135.84 0.04 2.63 Favored 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 115.162 1.541 . . . . 0.0 115.162 178.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.292 7.2 m120 60.51 25.73 15.37 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 115.953 1.834 . . . . 0.0 115.953 177.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -73.01 144.75 47.07 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.533 1.133 . . . . 0.0 109.323 168.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -115.16 144.34 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 124.735 1.214 . . . . 0.0 113.249 -175.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -134.29 160.73 37.01 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.976 2.11 . . . . 0.0 111.221 -174.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -88.95 -23.2 22.74 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 -175.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -135.24 153.18 52.01 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.619 1.568 . . . . 0.0 111.414 -173.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -60.11 -47.88 84.05 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.355 0.662 . . . . 0.0 112.072 -177.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 19.6 p-80 -63.48 -25.45 68.27 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.264 0.838 . . . . 0.0 113.264 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.4 m -72.14 -43.23 64.99 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.508 0.723 . . . . 0.0 111.593 178.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.8 tp -65.64 -46.74 78.04 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 122.656 0.383 . . . . 0.0 110.925 170.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 57.9 mm-40 -62.21 -32.64 73.33 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.352 0.661 . . . . 0.0 112.546 -173.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.72 -36.77 67.87 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.381 1.073 . . . . 0.0 113.155 170.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.8 t60 -62.87 -31.52 72.57 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.344 0.657 . . . . 0.0 112.281 174.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.3 mt -57.83 -24.21 56.36 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 120.928 -1.107 . . . . 0.0 113.69 176.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -62.62 -13.93 37.36 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.876 1.27 . . . . 0.0 114.18 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.0 pt -85.0 -25.56 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 123.9 0.88 . . . . 0.0 112.775 170.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -91.84 -24.35 19.39 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.566 1.947 . . . . 0.0 113.01 -178.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 38.8 p -67.44 156.97 35.29 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.657 1.183 . . . . 0.0 112.473 171.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -73.48 163.13 28.46 Favored 'General case' 0 CA--C 1.548 0.887 0 O-C-N 121.638 -0.663 . . . . 0.0 112.458 173.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -104.2 14.55 30.17 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.987 1.315 . . . . 0.0 113.839 -175.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 79.4 tttt . . . . . 0 C--O 1.253 1.257 0 C-N-CA 127.42 2.288 . . . . 0.0 113.39 -174.917 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.584 0 N-CA-C 111.85 -0.5 . . . . 0.0 111.85 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.6 p -146.07 160.19 42.24 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.312 1.445 . . . . 0.0 112.503 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.9 m -81.15 -11.16 59.52 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 -176.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.33 -167.25 40.37 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 124.854 1.216 . . . . 0.0 113.542 -177.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.4 t -67.43 152.34 45.85 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.199 0.999 . . . . 0.0 112.628 178.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.6 p -149.03 169.93 19.52 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.595 1.558 . . . . 0.0 112.853 -175.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.36 -177.84 48.96 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.72 1.152 . . . . 0.0 114.563 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -71.62 138.3 48.6 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.201 1.4 . . . . 0.0 112.135 -174.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.1 pp -124.89 166.91 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 126.844 2.057 . . . . 0.0 111.551 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -123.28 126.07 46.22 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.748 1.619 . . . . 0.0 110.107 -177.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.3 m -110.3 134.12 52.58 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.112 0.965 . . . . 0.0 112.508 -171.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.0 t -69.3 123.9 22.41 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.195 1.398 . . . . 0.0 111.349 172.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -74.73 -8.48 56.52 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 177.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -102.78 -34.14 9.12 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.875 1.27 . . . . 0.0 113.515 -174.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.9 p -134.36 1.92 3.22 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.251 44.0 m-80 61.2 21.72 12.14 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 126.037 1.735 . . . . 0.0 115.485 177.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -73.86 143.38 45.88 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.635 1.174 . . . . 0.0 110.333 169.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -111.81 144.33 19.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 125.065 1.346 . . . . 0.0 113.107 -178.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -131.06 158.27 40.83 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 126.628 1.971 . . . . 0.0 111.582 -176.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -83.55 -24.03 31.77 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.669 1.188 . . . . 0.0 114.095 -174.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -137.8 154.36 49.56 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 125.841 1.657 . . . . 0.0 111.185 -175.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -60.03 -50.28 74.35 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.557 0.743 . . . . 0.0 112.092 -177.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 -61.78 -25.39 67.44 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -178.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.4 m -71.09 -44.06 66.44 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.581 0.752 . . . . 0.0 111.87 177.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.6 tp -63.88 -47.22 81.52 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 122.541 0.336 . . . . 0.0 110.651 170.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -62.35 -33.11 74.07 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -172.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.97 -37.88 66.91 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.61 1.164 . . . . 0.0 113.084 171.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -61.59 -32.2 72.29 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.318 0.647 . . . . 0.0 112.259 174.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.0 mt -56.4 -26.34 52.9 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 121.093 -1.005 . . . . 0.0 113.65 176.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -61.56 -20.04 62.83 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 -177.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.3 pt -77.96 -25.49 14.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 118.925 0.784 . . . . 0.0 112.514 172.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -91.28 -28.64 17.65 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.876 2.07 . . . . 0.0 112.569 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 73.3 p -73.78 -33.95 64.46 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.742 0.817 . . . . 0.0 113.136 176.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -86.84 139.96 30.15 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.461 1.104 . . . . 0.0 112.482 -177.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.7 163.51 16.49 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.603 1.561 . . . . 0.0 112.921 175.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.9 mttp . . . . . 0 C--O 1.254 1.329 0 C-N-CA 126.118 1.767 . . . . 0.0 111.907 -177.619 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.631 0 N-CA-C 111.906 -0.477 . . . . 0.0 111.906 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.1 m -62.78 -19.59 64.16 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 115.081 1.511 . . . . 0.0 115.081 -171.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -75.82 -8.18 56.24 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.975 1.31 . . . . 0.0 114.112 175.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.9 -161.72 13.41 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 125.223 1.392 . . . . 0.0 114.219 175.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.1 t -65.15 145.95 55.6 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.846 0.858 . . . . 0.0 112.254 177.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.6 p -78.63 154.86 29.89 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.765 1.226 . . . . 0.0 113.935 -174.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.86 167.22 33.2 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.225 1.393 . . . . 0.0 112.817 178.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -74.09 129.93 38.81 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.031 0.932 . . . . 0.0 111.215 178.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.8 pt -139.08 159.95 29.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 125.656 1.582 . . . . 0.0 111.626 170.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -130.01 130.38 44.91 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 126.972 2.109 . . . . 0.0 109.392 176.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.9 m -114.67 133.78 55.6 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.27 1.028 . . . . 0.0 111.867 -172.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.4 t -67.85 123.6 21.02 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.209 1.404 . . . . 0.0 111.259 173.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -74.34 -8.37 56.01 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 177.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -103.46 -34.32 8.75 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.96 1.304 . . . . 0.0 113.568 -173.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.3 p -134.15 1.67 3.25 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 115.298 1.592 . . . . 0.0 115.298 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.25 42.8 m-80 60.86 22.58 12.66 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 126.03 1.732 . . . . 0.0 115.318 178.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -73.53 142.51 46.69 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.487 1.115 . . . . 0.0 110.091 169.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -111.88 144.1 20.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.792 1.237 . . . . 0.0 113.066 -178.03 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -131.73 162.66 29.95 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 127.378 2.271 . . . . 0.0 110.353 -178.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -87.81 -25.18 23.48 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -176.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -134.76 157.87 45.63 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.331 1.452 . . . . 0.0 111.577 -173.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -61.44 -52.45 64.51 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.416 0.686 . . . . 0.0 112.168 -176.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 19.8 p80 -60.93 -29.13 69.43 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.553 0.741 . . . . 0.0 112.945 -177.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.9 m -65.48 -45.95 81.64 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.12 0.968 . . . . 0.0 112.105 178.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.3 tp -66.94 -45.99 76.09 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.258 0.623 . . . . 0.0 110.817 171.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -60.79 -34.3 74.3 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.453 0.701 . . . . 0.0 112.276 -173.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.61 -33.42 68.97 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.737 1.215 . . . . 0.0 113.499 171.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -67.94 -31.04 70.51 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.448 0.699 . . . . 0.0 112.03 173.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.8 mt -58.24 -25.11 61.32 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 120.924 -1.11 . . . . 0.0 113.603 177.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 84.6 mtm180 -60.02 -16.34 30.1 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.814 1.246 . . . . 0.0 114.13 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 pt -83.8 -24.99 7.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 123.825 0.85 . . . . 0.0 112.704 172.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -94.95 -24.93 16.74 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.968 2.107 . . . . 0.0 113.352 -177.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.8 p -64.43 148.6 50.17 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.667 1.187 . . . . 0.0 112.948 177.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -145.16 159.16 43.42 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.175 1.39 . . . . 0.0 111.169 177.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -77.48 158.82 29.76 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.515 1.126 . . . . 0.0 113.288 177.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt . . . . . 0 C--O 1.253 1.273 0 C-N-CA 126.552 1.941 . . . . 0.0 111.63 179.896 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.549 0 N-CA-C 111.601 -0.6 . . . . 0.0 111.601 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.9 p -78.09 -21.54 50.34 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 -177.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.5 m -137.21 148.27 46.4 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.806 1.642 . . . . 0.0 111.826 178.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.33 -174.81 49.52 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 124.525 1.06 . . . . 0.0 114.001 174.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -59.2 -21.73 59.94 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.068 1.347 . . . . 0.0 114.251 -177.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.3 m -60.95 -14.91 25.83 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.324 1.45 . . . . 0.0 114.051 174.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.36 -10.4 74.67 Favored Glycine 0 CA--C 1.54 1.622 0 C-N-CA 124.696 1.141 . . . . 0.0 115.039 172.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -63.94 139.85 58.81 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 118.918 1.359 . . . . 0.0 111.617 175.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.1 pt -130.77 160.05 42.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 125.688 1.595 . . . . 0.0 111.894 171.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -128.35 130.96 48.53 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.942 2.097 . . . . 0.0 109.408 176.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.1 m -115.79 134.68 54.76 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.278 1.031 . . . . 0.0 112.074 -171.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.4 t -67.48 126.86 30.62 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.424 1.49 . . . . 0.0 111.21 173.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -77.12 -9.64 58.87 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 176.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -102.23 -33.72 9.52 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.826 1.25 . . . . 0.0 113.654 -173.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.9 p -135.58 1.51 2.85 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 115.268 1.581 . . . . 0.0 115.268 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.4 m120 60.94 23.18 13.31 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.007 1.723 . . . . 0.0 115.597 178.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -72.7 143.54 48.02 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.848 1.259 . . . . 0.0 109.93 169.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -114.34 143.97 22.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 124.923 1.289 . . . . 0.0 113.167 -176.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -133.53 163.49 29.27 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 127.029 2.132 . . . . 0.0 111.184 -176.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -90.12 -22.69 21.64 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 -175.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -135.93 155.84 49.67 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.208 1.403 . . . . 0.0 111.453 -174.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -60.02 -49.77 76.36 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.628 0.771 . . . . 0.0 112.013 -179.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 11.6 p-80 -63.6 -25.51 68.26 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 -178.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.8 m -69.5 -46.18 67.18 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.772 0.829 . . . . 0.0 111.599 177.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.9 tp -65.32 -46.38 80.54 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.015 0.526 . . . . 0.0 110.801 172.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -62.42 -32.36 73.2 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.367 0.667 . . . . 0.0 112.58 -172.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.83 -36.87 67.59 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.399 1.08 . . . . 0.0 113.12 170.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -63.27 -31.22 72.32 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 121.613 -0.679 . . . . 0.0 112.314 174.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.9 mt -57.77 -24.53 57.62 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 120.859 -1.151 . . . . 0.0 113.736 176.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -62.96 -14.69 50.5 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.731 1.212 . . . . 0.0 114.067 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.9 pt -83.66 -26.14 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 123.881 0.873 . . . . 0.0 112.696 170.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -91.45 -24.6 19.64 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.587 1.955 . . . . 0.0 113.091 -178.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 32.3 p -68.95 138.75 54.84 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.473 1.109 . . . . 0.0 112.446 174.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -99.26 -56.16 2.49 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.047 0.939 . . . . 0.0 111.191 171.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -153.74 136.77 15.5 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.456 1.503 . . . . 0.0 110.341 174.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.4 mmtm . . . . . 0 C--O 1.253 1.254 0 C-N-CA 126.663 1.985 . . . . 0.0 111.209 175.894 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.621 0 N-CA-C 111.747 -0.541 . . . . 0.0 111.747 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.5 p -83.45 -16.7 44.75 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -178.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.4 m -67.58 147.63 52.5 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.884 1.273 . . . . 0.0 113.048 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.1 166.07 35.92 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.705 1.145 . . . . 0.0 113.214 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.4 m -71.81 140.43 49.41 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.263 1.025 . . . . 0.0 112.788 -177.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.1 p -127.47 0.37 6.26 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.45 1.5 . . . . 0.0 114.545 -177.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.66 -163.33 54.31 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 124.604 1.097 . . . . 0.0 113.658 -175.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -70.33 138.67 51.64 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.818 0.847 . . . . 0.0 110.748 174.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.3 pp -125.03 164.69 23.45 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 C-N-CA 125.599 1.559 . . . . 0.0 112.357 -178.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -125.4 125.74 43.88 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.678 1.991 . . . . 0.0 109.655 -178.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.5 m -109.03 134.45 51.65 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.03 0.932 . . . . 0.0 112.551 -171.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.5 t -67.85 126.32 29.05 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.238 1.415 . . . . 0.0 111.189 171.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -76.73 -9.36 58.62 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 176.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -103.12 -33.83 9.08 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.822 1.249 . . . . 0.0 113.747 -173.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.6 p -134.75 1.64 3.08 Favored 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.252 15.4 m120 61.39 22.17 12.62 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.077 1.751 . . . . 0.0 115.678 177.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -73.43 143.77 46.6 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.718 1.207 . . . . 0.0 110.149 169.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -112.45 143.03 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 125.043 1.337 . . . . 0.0 112.937 -178.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -130.45 159.62 36.5 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 126.582 1.953 . . . . 0.0 111.632 -176.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -86.04 -21.86 27.52 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -174.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -136.36 154.83 50.72 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.585 1.554 . . . . 0.0 111.335 -176.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -60.61 -48.93 79.6 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.458 0.703 . . . . 0.0 112.031 -178.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 11.0 p-80 -63.97 -24.72 67.83 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 74.2 m -70.24 -45.73 65.87 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.611 0.765 . . . . 0.0 111.6 177.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.3 tp -64.35 -46.62 82.65 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 122.727 0.411 . . . . 0.0 110.717 171.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -62.7 -32.35 73.43 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.346 0.659 . . . . 0.0 112.625 -172.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.34 -36.92 66.25 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.266 1.026 . . . . 0.0 113.128 170.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -62.78 -31.03 71.92 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.594 -0.691 . . . . 0.0 112.349 174.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.8 mt -57.65 -25.0 59.53 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 120.919 -1.113 . . . . 0.0 113.544 176.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -64.08 -11.87 33.82 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.844 1.258 . . . . 0.0 114.378 -179.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 pt -85.2 -26.68 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 123.928 0.891 . . . . 0.0 112.454 169.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -92.9 -27.28 17.19 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.875 2.07 . . . . 0.0 113.126 -178.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.6 t -133.15 144.35 49.83 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.487 1.515 . . . . 0.0 112.078 175.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -152.96 161.39 42.6 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.454 1.501 . . . . 0.0 110.766 178.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -71.02 141.6 50.94 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.886 0.875 . . . . 0.0 111.777 174.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.1 pttp . . . . . 0 C--O 1.254 1.291 0 C-N-CA 126.108 1.763 . . . . 0.0 112.801 -179.091 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.631 0 N-CA-C 112.151 -0.38 . . . . 0.0 112.151 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.6 m -68.93 152.72 44.92 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.641 1.176 . . . . 0.0 113.22 -178.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.4 m -76.0 -9.28 58.49 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 114.86 1.43 . . . . 0.0 114.86 -176.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.53 167.47 36.74 Favored Glycine 0 CA--C 1.538 1.478 0 C-N-CA 124.989 1.281 . . . . 0.0 113.875 -174.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.5 p -153.61 158.21 40.81 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.801 1.24 . . . . 0.0 112.84 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.5 m -90.44 154.65 19.5 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.949 1.3 . . . . 0.0 112.309 176.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.23 -175.73 45.6 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 124.503 1.049 . . . . 0.0 113.48 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.8 tptp -65.43 132.81 49.9 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.352 1.061 . . . . 0.0 111.589 178.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 pp -132.0 170.36 20.03 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 126.954 2.102 . . . . 0.0 111.169 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -130.19 127.98 40.79 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 125.997 1.719 . . . . 0.0 109.808 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.7 m -108.94 134.83 51.08 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.028 0.931 . . . . 0.0 112.493 -171.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.9 t -69.91 123.21 20.93 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.96 1.304 . . . . 0.0 111.061 172.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -74.95 -8.21 55.84 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 177.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -103.59 -34.12 8.76 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.976 1.31 . . . . 0.0 113.625 -173.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.5 p -132.92 2.56 3.68 Favored 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 61.15 21.89 12.26 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 126.122 1.769 . . . . 0.0 115.485 176.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -76.47 144.59 39.76 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.987 0.915 . . . . 0.0 110.047 169.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.1 m -103.6 151.34 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 124.967 1.307 . . . . 0.0 113.169 173.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -134.43 159.4 41.2 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 127.657 2.383 . . . . 0.0 110.586 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -83.46 -26.19 30.5 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -174.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -137.5 153.23 50.07 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.579 1.552 . . . . 0.0 111.112 -174.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -60.25 -50.21 74.54 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.354 0.662 . . . . 0.0 112.123 -176.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -61.54 -24.97 67.0 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 -178.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.8 m -72.31 -43.83 63.59 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.583 0.753 . . . . 0.0 111.865 177.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.1 tp -64.12 -45.86 86.74 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 122.642 0.377 . . . . 0.0 110.726 170.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -61.48 -34.15 74.97 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.267 0.627 . . . . 0.0 112.527 -173.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.17 -36.1 66.54 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.19 0.996 . . . . 0.0 112.991 171.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -62.95 -30.75 71.81 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.574 -0.703 . . . . 0.0 112.31 173.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 45.6 mt -57.72 -24.81 58.76 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 120.958 -1.089 . . . . 0.0 113.425 175.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.4 mtp85 -61.74 -15.59 42.24 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.6 pt -83.07 -30.6 8.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 123.592 0.757 . . . . 0.0 111.971 170.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -86.37 -25.42 25.36 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.317 1.847 . . . . 0.0 112.993 -178.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 64.5 p -69.56 -18.8 63.68 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.303 1.041 . . . . 0.0 113.106 170.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 56.1 t30 54.12 39.78 31.01 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 126.334 1.854 . . . . 0.0 113.855 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -69.38 155.34 40.59 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.924 0.889 . . . . 0.0 112.47 173.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? . . . . . 0 C--O 1.253 1.261 0 C-N-CA 125.542 1.537 . . . . 0.0 111.887 -176.526 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.579 0 N-CA-C 110.546 -1.021 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.3 m 52.22 37.45 22.0 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.832 1.253 . . . . 0.0 112.96 -170.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 m -73.4 -12.24 60.74 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.631 1.572 . . . . 0.0 114.936 -169.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.6 179.18 48.78 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 125.437 1.494 . . . . 0.0 112.877 179.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.7 m 54.08 32.36 15.52 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.592 1.557 . . . . 0.0 114.867 177.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.6 p -76.33 -13.84 60.12 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.189 1.396 . . . . 0.0 114.647 -176.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.53 160.6 32.67 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 125.262 1.41 . . . . 0.0 112.795 176.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -86.33 139.66 30.77 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.686 1.194 . . . . 0.0 111.983 -178.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.1 pp -127.91 164.35 29.52 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 C-N-CA 126.796 2.038 . . . . 0.0 111.299 176.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -117.99 122.45 43.26 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.876 1.67 . . . . 0.0 109.783 -179.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.1 m -107.5 133.97 51.21 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.081 0.952 . . . . 0.0 112.468 -172.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.4 t -68.95 123.62 21.5 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.323 1.449 . . . . 0.0 111.322 172.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -74.43 -8.2 55.5 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 177.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -103.6 -34.42 8.65 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.985 1.314 . . . . 0.0 113.551 -173.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.8 p -133.98 1.83 3.31 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 115.354 1.613 . . . . 0.0 115.354 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.25 43.4 m-80 61.32 21.67 12.15 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.097 1.759 . . . . 0.0 115.454 178.094 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -73.21 143.06 47.3 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.559 1.143 . . . . 0.0 110.301 169.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -112.53 143.1 22.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 125.058 1.343 . . . . 0.0 112.931 -178.276 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -130.4 159.91 35.6 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.427 1.891 . . . . 0.0 111.637 -177.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -83.73 -24.1 31.32 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.523 1.129 . . . . 0.0 113.977 -174.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -137.78 154.31 49.58 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.612 1.565 . . . . 0.0 111.478 -174.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -59.46 -49.01 79.43 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.788 0.835 . . . . 0.0 112.328 -178.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.1 p-80 -63.61 -25.7 68.35 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.82 0.848 . . . . 0.0 113.281 -178.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.7 m -71.36 -43.95 65.95 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.53 0.732 . . . . 0.0 111.531 178.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.8 tp -65.17 -47.41 77.09 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 122.552 0.341 . . . . 0.0 110.808 170.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -62.33 -32.28 73.03 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.346 0.658 . . . . 0.0 112.755 -171.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.69 -37.26 62.69 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.182 0.993 . . . . 0.0 113.061 170.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -61.24 -31.25 71.04 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.616 -0.678 . . . . 0.0 112.188 173.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.7 mt -57.06 -26.07 59.74 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.002 -1.061 . . . . 0.0 113.342 175.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.8 mtt-85 -63.93 -10.45 21.19 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -178.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.2 pt -85.08 -25.38 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 123.798 0.839 . . . . 0.0 112.472 169.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -96.12 -28.14 14.73 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 127.329 2.252 . . . . 0.0 113.266 -177.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.2 t -137.59 167.69 21.17 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.965 1.706 . . . . 0.0 112.166 -178.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -120.22 156.14 31.76 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.362 1.465 . . . . 0.0 111.856 179.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -83.23 155.49 23.66 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.978 1.311 . . . . 0.0 112.031 178.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt . . . . . 0 C--O 1.253 1.279 0 C-N-CA 126.621 1.968 . . . . 0.0 112.943 -174.094 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.654 0 N-CA-C 112.038 -0.425 . . . . 0.0 112.038 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.1 t -149.81 146.62 27.26 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.904 1.281 . . . . 0.0 111.934 179.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 m -65.87 -16.69 64.06 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.197 0.999 . . . . 0.0 113.009 170.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.56 -11.6 80.29 Favored Glycine 0 CA--C 1.538 1.52 0 C-N-CA 124.918 1.247 . . . . 0.0 114.85 174.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.0 m -78.49 81.97 4.79 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 118.724 1.262 . . . . 0.0 111.132 177.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.7 p -77.1 -8.83 58.16 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 115.246 1.573 . . . . 0.0 115.246 -173.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.06 -167.55 33.78 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 124.869 1.223 . . . . 0.0 113.623 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -65.69 137.8 57.55 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.858 1.263 . . . . 0.0 111.261 179.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.9 pp -123.3 169.93 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 126.071 1.748 . . . . 0.0 112.677 -176.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -127.55 128.5 45.73 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.498 1.919 . . . . 0.0 109.66 178.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.9 m -110.04 135.44 50.86 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.086 0.955 . . . . 0.0 112.45 -171.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.2 t -69.73 125.96 28.29 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.763 1.225 . . . . 0.0 110.919 172.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -77.06 -9.41 58.7 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 176.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -102.85 -33.77 9.23 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.909 1.284 . . . . 0.0 113.697 -173.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.8 p -133.73 2.32 3.43 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 115.08 1.511 . . . . 0.0 115.08 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.5 m120 61.42 22.18 12.63 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 115.677 1.732 . . . . 0.0 115.677 175.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -76.29 145.2 39.79 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.125 0.97 . . . . 0.0 109.825 169.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -104.03 151.18 6.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 125.022 1.329 . . . . 0.0 113.131 173.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -135.08 159.13 42.5 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 127.657 2.383 . . . . 0.0 110.494 -179.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -83.07 -23.94 32.92 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 114.063 1.135 . . . . 0.0 114.063 -175.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -138.08 152.79 49.12 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.478 1.511 . . . . 0.0 111.684 -173.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -58.44 -49.86 75.79 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.966 0.906 . . . . 0.0 112.274 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.3 p-80 -63.67 -25.98 68.46 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.745 0.818 . . . . 0.0 113.168 -178.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.5 m -72.47 -43.09 64.2 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.506 0.722 . . . . 0.0 111.651 178.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.6 tp -64.59 -46.76 81.33 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 122.729 0.412 . . . . 0.0 110.742 170.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -61.87 -33.43 74.19 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.536 0.734 . . . . 0.0 112.5 -173.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.3 -35.42 66.1 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.409 1.084 . . . . 0.0 113.179 171.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -63.78 -31.96 73.31 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.37 0.668 . . . . 0.0 112.162 173.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.7 mt -56.9 -24.81 54.82 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 120.993 -1.067 . . . . 0.0 113.481 176.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 -62.93 -19.24 64.06 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -179.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.5 pt -78.2 -32.04 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 O-C-N 121.419 -0.801 . . . . 0.0 111.629 170.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -79.71 -29.1 40.6 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.684 1.594 . . . . 0.0 112.139 178.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 44.2 p -78.87 -8.15 58.57 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.001 0.92 . . . . 0.0 112.273 167.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 52.2 t30 57.73 43.06 22.64 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 127.282 2.233 . . . . 0.0 114.086 -177.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -111.53 -4.56 14.76 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.759 1.224 . . . . 0.0 114.027 173.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.9 tttm . . . . . 0 C--O 1.251 1.17 0 C-N-CA 127.293 2.237 . . . . 0.0 111.458 -179.336 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.63 0 N-CA-C 111.56 -0.616 . . . . 0.0 111.56 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.1 m -66.76 156.44 35.43 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.479 1.112 . . . . 0.0 113.172 178.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.7 t -70.93 160.75 32.28 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.105 0.962 . . . . 0.0 112.641 176.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.98 62.0 2.54 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 125.929 1.728 . . . . 0.0 113.782 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 t -142.04 175.87 9.4 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.229 1.812 . . . . 0.0 111.633 -178.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.1 m -59.61 147.45 37.22 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.213 1.405 . . . . 0.0 112.861 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.73 41.08 1.41 Allowed Glycine 0 CA--C 1.535 1.283 0 C-N-CA 125.684 1.611 . . . . 0.0 115.862 -175.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -68.42 145.15 54.37 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.686 1.195 . . . . 0.0 112.027 175.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.6 pp -134.17 156.97 41.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 125.682 1.593 . . . . 0.0 111.538 171.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -132.5 131.46 41.65 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 126.437 1.895 . . . . 0.0 109.938 -177.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.9 m -114.99 135.56 54.1 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.149 0.98 . . . . 0.0 112.379 -171.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.6 t -66.05 128.71 37.16 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.998 1.319 . . . . 0.0 111.106 171.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -79.08 -9.57 59.59 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.461 -0.774 . . . . 0.0 112.878 175.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -103.58 -33.81 8.87 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.927 1.291 . . . . 0.0 113.63 -173.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.0 p -135.11 0.15 2.82 Favored 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 115.212 1.56 . . . . 0.0 115.212 177.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.295 7.4 m120 60.69 25.37 15.15 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 115.991 1.849 . . . . 0.0 115.991 177.414 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -73.2 144.06 46.93 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.598 1.159 . . . . 0.0 109.392 167.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -112.71 144.43 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.818 1.247 . . . . 0.0 113.14 -177.368 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -131.92 160.79 34.73 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 127.187 2.195 . . . . 0.0 110.963 -175.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -88.85 -22.71 23.06 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 -174.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -135.69 155.21 50.77 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.578 1.551 . . . . 0.0 110.748 -175.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -63.09 -52.01 64.34 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.843 -0.536 . . . . 0.0 111.963 -175.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -60.47 -26.82 67.07 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.167 0.802 . . . . 0.0 113.167 -178.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 71.9 m -66.34 -45.43 80.24 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.978 0.911 . . . . 0.0 111.873 176.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.2 tp -64.6 -45.32 87.45 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.071 0.549 . . . . 0.0 110.887 170.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -59.99 -36.12 76.51 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 118.643 0.656 . . . . 0.0 112.246 -174.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.11 -36.57 74.94 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.477 1.111 . . . . 0.0 112.973 172.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -63.85 -31.16 72.25 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.273 0.629 . . . . 0.0 112.355 174.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.9 mt -58.55 -24.78 61.52 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 120.88 -1.137 . . . . 0.0 113.578 176.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -62.67 -14.24 41.5 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.801 1.24 . . . . 0.0 114.141 -178.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.0 pt -84.21 -24.93 7.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 123.981 0.912 . . . . 0.0 112.657 170.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -95.36 -23.87 16.98 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.975 2.11 . . . . 0.0 113.442 -176.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 29.9 p -66.27 147.33 53.48 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.291 1.036 . . . . 0.0 112.988 178.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -91.46 64.11 4.97 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.833 1.253 . . . . 0.0 110.575 176.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -139.79 146.31 39.28 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.255 1.422 . . . . 0.0 111.709 -174.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.1 ptmm? . . . . . 0 C--O 1.253 1.277 0 C-N-CA 126.341 1.857 . . . . 0.0 112.877 179.211 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.551 0 N-CA-C 111.89 -0.484 . . . . 0.0 111.89 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.9 p -77.15 162.44 27.43 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.792 1.237 . . . . 0.0 113.217 177.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.7 p -78.92 -14.8 59.01 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 178.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.27 168.92 38.4 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 125.151 1.358 . . . . 0.0 113.419 178.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.2 m -70.31 150.16 46.64 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.572 1.149 . . . . 0.0 113.184 -178.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 t -150.13 159.27 44.54 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.382 1.473 . . . . 0.0 111.383 175.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.6 140.06 34.42 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 124.198 0.904 . . . . 0.0 113.339 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -90.84 136.04 33.33 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.746 1.218 . . . . 0.0 111.004 -178.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.6 pt -129.72 162.49 37.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 125.863 1.665 . . . . 0.0 112.3 177.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -126.98 132.23 50.86 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.852 2.061 . . . . 0.0 109.379 175.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.1 m -117.27 134.11 55.19 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.168 0.987 . . . . 0.0 111.9 -172.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.8 t -67.15 123.65 20.89 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.394 1.478 . . . . 0.0 111.25 173.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -74.35 -8.0 54.78 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 177.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -103.84 -34.23 8.61 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.968 1.307 . . . . 0.0 113.551 -173.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.4 p -134.92 1.52 3.02 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 115.361 1.615 . . . . 0.0 115.361 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.254 42.7 m-80 61.23 22.56 12.88 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 126.038 1.735 . . . . 0.0 115.484 178.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -72.86 143.78 47.68 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.518 1.127 . . . . 0.0 110.029 169.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -115.03 144.25 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 124.888 1.275 . . . . 0.0 113.355 -174.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -133.93 162.32 32.38 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 127.04 2.136 . . . . 0.0 111.355 -175.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -90.71 -22.95 20.87 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -174.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -137.88 155.37 49.03 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.86 1.664 . . . . 0.0 110.943 -175.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -61.79 -52.79 62.75 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.154 0.582 . . . . 0.0 112.388 -174.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -60.19 -27.66 67.33 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.716 0.806 . . . . 0.0 113.115 -177.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 64.7 m -66.99 -44.48 80.28 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.0 0.92 . . . . 0.0 111.905 177.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.8 tp -65.25 -45.42 84.66 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.235 0.614 . . . . 0.0 110.819 169.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -58.91 -37.1 75.87 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 118.652 0.66 . . . . 0.0 112.29 -174.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.06 -36.57 75.08 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.228 1.011 . . . . 0.0 112.989 173.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -63.65 -31.13 72.2 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.084 0.554 . . . . 0.0 112.251 173.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.9 mt -58.68 -25.79 63.19 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 120.922 -1.111 . . . . 0.0 113.581 177.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 92.2 mtt-85 -60.05 -19.38 52.62 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -178.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 pt -78.99 -23.31 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 123.78 0.832 . . . . 0.0 112.699 173.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -98.83 -25.8 14.51 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 127.338 2.255 . . . . 0.0 113.472 -177.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 40.0 p -70.9 -30.63 67.03 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -79.62 152.41 30.04 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.238 1.015 . . . . 0.0 112.561 -177.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -88.44 62.05 6.43 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.614 1.166 . . . . 0.0 112.913 -169.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--O 1.253 1.24 0 C-N-CA 125.907 1.683 . . . . 0.0 112.152 177.453 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.594 0 N-CA-C 111.89 -0.484 . . . . 0.0 111.89 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.6 m -67.74 148.89 50.67 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.516 1.126 . . . . 0.0 113.012 -178.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.1 p -79.02 -13.42 59.79 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.859 1.264 . . . . 0.0 114.41 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.56 -175.85 43.32 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 125.567 1.556 . . . . 0.0 112.879 178.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.9 p -75.61 156.42 34.93 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.724 1.21 . . . . 0.0 113.116 177.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.6 t -89.88 154.48 19.84 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.569 1.148 . . . . 0.0 112.609 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.21 177.13 36.42 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 125.018 1.294 . . . . 0.0 114.456 -177.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.426 ' HE3' ' CZ ' ' A' ' 10' ' ' PHE . 9.4 tmtm? -80.96 134.54 35.72 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.362 1.065 . . . . 0.0 111.213 179.154 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 pp -127.6 168.71 20.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 126.287 1.835 . . . . 0.0 111.582 -179.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.426 ' CZ ' ' HE3' ' A' ' 8' ' ' LYS . 89.4 m-85 -125.14 125.05 43.1 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.033 1.733 . . . . 0.0 109.743 -179.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.5 m -109.9 134.06 52.49 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.142 0.977 . . . . 0.0 112.28 -171.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.7 t -68.74 123.27 20.47 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.254 1.422 . . . . 0.0 111.231 172.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -74.16 -8.16 55.17 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 177.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -104.06 -34.29 8.48 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.997 1.319 . . . . 0.0 113.619 -173.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.1 p -134.05 2.01 3.31 Favored 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.25 43.6 m-80 61.34 21.74 12.22 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.092 1.757 . . . . 0.0 115.502 177.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -72.89 142.51 47.91 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.636 1.174 . . . . 0.0 110.312 169.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -111.87 144.15 20.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.941 1.297 . . . . 0.0 113.085 -178.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -131.63 161.04 33.66 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.556 1.942 . . . . 0.0 111.69 -177.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -84.82 -24.76 28.52 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -175.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -135.9 155.28 50.54 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.481 1.512 . . . . 0.0 111.588 -174.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -60.32 -49.64 76.81 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.699 0.8 . . . . 0.0 112.111 -178.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 11.3 p-80 -63.84 -24.93 67.94 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.769 0.828 . . . . 0.0 113.199 -178.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.9 m -70.08 -45.98 65.87 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.714 0.806 . . . . 0.0 111.574 177.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.4 tp -64.57 -46.68 81.7 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 122.867 0.467 . . . . 0.0 110.594 171.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -62.43 -32.24 73.06 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.299 0.64 . . . . 0.0 112.597 -172.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.47 -37.95 65.61 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.309 1.044 . . . . 0.0 113.052 170.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -61.81 -31.01 71.21 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.622 -0.674 . . . . 0.0 112.311 174.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.7 mt -57.9 -25.13 60.4 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 120.987 -1.071 . . . . 0.0 113.565 175.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 74.1 mtp85 -62.21 -15.31 45.81 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -177.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.9 pt -82.77 -28.42 8.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 123.82 0.848 . . . . 0.0 112.27 171.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -90.82 -23.5 20.57 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.777 2.031 . . . . 0.0 113.207 -177.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 46.6 p -71.61 -16.46 62.28 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.419 1.088 . . . . 0.0 113.81 175.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -65.65 137.4 57.3 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.435 1.094 . . . . 0.0 112.436 -179.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -148.19 143.11 26.82 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.306 1.442 . . . . 0.0 110.895 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.402 ' HE2' ' HA ' ' A' ' 36' ' ' LYS . 7.9 mmpt? . . . . . 0 C--O 1.252 1.228 0 C-N-CA 126.139 1.776 . . . . 0.0 111.503 178.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.556 0 N-CA-C 111.649 -0.58 . . . . 0.0 111.649 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.6 p -75.3 159.22 31.75 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.642 1.177 . . . . 0.0 113.039 177.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.8 m -67.36 137.34 55.92 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.123 0.969 . . . . 0.0 112.564 -178.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.07 -177.86 40.36 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 124.693 1.14 . . . . 0.0 113.439 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.1 m -69.51 153.69 43.13 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.445 1.098 . . . . 0.0 112.78 178.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.5 t -138.95 148.15 43.16 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.296 1.439 . . . . 0.0 110.963 175.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.13 22.34 70.65 Favored Glycine 0 N--CA 1.474 1.168 0 C-N-CA 123.872 0.749 . . . . 0.0 114.521 -173.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.08 142.6 49.21 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.327 1.051 . . . . 0.0 113.019 -169.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.6 pt -145.33 160.53 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 127.4 2.28 . . . . 0.0 111.438 -178.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -122.03 130.72 53.53 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 126.616 1.966 . . . . 0.0 109.617 176.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.8 m -115.78 135.59 53.87 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.193 0.997 . . . . 0.0 112.118 -172.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.1 t -65.97 129.28 39.26 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.237 1.415 . . . . 0.0 111.245 172.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -79.53 -9.6 59.65 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.415 -0.803 . . . . 0.0 112.951 175.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -103.18 -33.83 9.06 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.853 1.261 . . . . 0.0 113.591 -173.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.3 p -135.61 0.08 2.69 Favored 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 177.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.291 7.3 m120 60.25 25.8 15.23 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 115.92 1.822 . . . . 0.0 115.92 178.434 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -72.92 145.14 47.03 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.497 1.119 . . . . 0.0 109.357 168.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -116.15 143.32 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 124.745 1.218 . . . . 0.0 113.123 -174.54 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -133.35 160.65 36.72 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 126.711 2.004 . . . . 0.0 111.345 -174.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -89.06 -22.81 22.75 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.371 1.249 . . . . 0.0 114.371 -174.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -137.08 155.37 49.73 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 125.806 1.643 . . . . 0.0 111.224 -176.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -60.58 -49.71 76.44 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.341 0.657 . . . . 0.0 112.041 -176.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -61.44 -25.26 67.1 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -178.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.1 m -71.15 -44.12 66.17 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.775 0.83 . . . . 0.0 111.896 177.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.4 tp -65.03 -46.13 82.6 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 122.779 0.432 . . . . 0.0 110.922 170.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -62.0 -33.72 74.86 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -173.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.25 -36.15 69.0 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.454 1.101 . . . . 0.0 113.027 171.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -63.36 -31.24 72.34 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.313 0.645 . . . . 0.0 112.294 174.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.0 mt -57.95 -24.6 58.66 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 120.941 -1.099 . . . . 0.0 113.792 176.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -62.17 -14.56 38.7 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.815 1.246 . . . . 0.0 114.226 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.9 pt -84.72 -25.96 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 123.866 0.866 . . . . 0.0 112.756 171.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -92.02 -25.83 18.63 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.684 1.994 . . . . 0.0 113.273 -177.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.9 p -62.41 130.19 44.08 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.331 1.053 . . . . 0.0 111.736 175.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 51.2 p-10 -137.84 17.12 2.86 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.832 1.253 . . . . 0.0 114.339 -170.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -70.33 147.08 50.03 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.861 0.864 . . . . 0.0 112.301 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 C--O 1.253 1.263 0 C-N-CA 125.687 1.595 . . . . 0.0 112.745 -175.436 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.534 0 N-CA-C 112.058 -0.417 . . . . 0.0 112.058 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.6 m -133.8 152.91 52.01 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.362 1.465 . . . . 0.0 112.171 -177.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.2 m -136.92 160.36 39.12 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.492 1.517 . . . . 0.0 112.339 -175.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.4 4.25 90.47 Favored Glycine 0 CA--C 1.538 1.481 0 N-CA-C 116.014 1.165 . . . . 0.0 116.014 175.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.4 t -76.57 153.35 35.45 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 118.643 1.222 . . . . 0.0 112.004 174.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.5 p -146.83 157.24 43.61 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.056 1.342 . . . . 0.0 112.964 -178.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.11 48.76 3.11 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 125.573 1.559 . . . . 0.0 114.558 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.84 140.17 58.84 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.335 1.054 . . . . 0.0 111.411 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.5 pt -129.63 160.65 40.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 126.008 1.723 . . . . 0.0 112.526 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -123.72 137.23 54.74 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.223 2.209 . . . . 0.0 109.328 174.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.1 m -119.68 135.7 54.72 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 119.4 1.0 . . . . 0.0 111.787 -174.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.4 t -69.93 124.02 22.98 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.168 1.387 . . . . 0.0 111.064 174.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -75.09 -8.6 57.01 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 177.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -102.93 -34.1 9.08 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.955 1.302 . . . . 0.0 113.579 -173.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.1 p -133.36 2.01 3.5 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 115.212 1.56 . . . . 0.0 115.212 179.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.25 43.2 m-80 60.95 22.73 12.89 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.891 1.677 . . . . 0.0 115.34 177.602 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -75.83 144.72 41.13 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.382 -0.824 . . . . 0.0 109.902 169.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -104.88 150.87 7.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 125.214 1.406 . . . . 0.0 113.288 176.537 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -137.61 162.87 32.64 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 127.773 2.429 . . . . 0.0 111.004 -178.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -90.89 -23.83 20.39 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.336 1.235 . . . . 0.0 114.336 -175.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -136.17 154.48 50.95 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 125.298 1.439 . . . . 0.0 111.568 -174.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -60.57 -50.41 73.64 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.639 0.776 . . . . 0.0 112.017 -178.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.9 p-80 -63.14 -25.62 68.44 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.837 0.855 . . . . 0.0 113.192 -178.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.6 m -69.89 -45.94 66.54 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.743 0.817 . . . . 0.0 111.679 177.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.7 tp -65.99 -45.56 81.17 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 122.913 0.485 . . . . 0.0 110.726 172.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -62.18 -33.25 74.17 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.492 0.717 . . . . 0.0 112.656 -173.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.59 -35.45 65.4 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.985 0.914 . . . . 0.0 113.031 170.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -63.54 -30.59 71.68 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.519 -0.738 . . . . 0.0 112.223 174.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.9 mt -57.53 -24.33 55.41 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 120.94 -1.1 . . . . 0.0 113.419 175.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 68.7 mtp85 -62.06 -13.53 27.23 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 pt -85.72 -25.37 6.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 124.013 0.925 . . . . 0.0 112.745 170.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -94.14 -26.16 16.82 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.814 2.046 . . . . 0.0 113.602 -176.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.0 t -128.97 156.67 43.42 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.226 1.41 . . . . 0.0 112.569 178.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -86.02 154.62 21.3 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.841 1.257 . . . . 0.0 113.121 -172.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -90.05 154.27 19.93 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.154 1.382 . . . . 0.0 111.709 172.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.3 tttp . . . . . 0 C--O 1.253 1.252 0 C-N-CA 125.663 1.585 . . . . 0.0 111.854 177.976 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.49 0 N-CA-C 111.972 -0.451 . . . . 0.0 111.972 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.9 p -78.46 -25.17 45.8 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -177.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.0 t -153.81 154.48 34.05 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.641 1.577 . . . . 0.0 111.524 177.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.07 -14.04 8.44 Favored Glycine 0 CA--C 1.538 1.505 0 C-N-CA 125.516 1.531 . . . . 0.0 116.433 175.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.9 m -60.47 127.16 30.34 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.308 1.554 . . . . 0.0 111.783 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.0 m 56.2 15.75 2.01 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 125.938 1.695 . . . . 0.0 115.27 -172.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.41 -155.45 31.91 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 125.699 1.618 . . . . 0.0 113.49 176.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -128.55 140.51 51.76 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.71 1.604 . . . . 0.0 110.883 174.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.3 pt -130.09 158.7 42.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 126.256 1.823 . . . . 0.0 110.772 169.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -125.18 127.38 46.7 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.734 1.614 . . . . 0.0 109.642 176.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.8 m -114.43 135.63 53.89 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.367 1.067 . . . . 0.0 112.272 -172.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.9 t -66.62 129.76 40.92 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.072 1.349 . . . . 0.0 111.37 172.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -79.61 -9.98 59.72 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 121.429 -0.794 . . . . 0.0 112.962 175.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -103.02 -34.3 8.96 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.905 1.282 . . . . 0.0 113.576 -173.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.1 p -135.32 0.35 2.79 Favored 'General case' 0 CA--C 1.552 1.021 0 N-CA-C 115.289 1.589 . . . . 0.0 115.289 178.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.291 7.3 m120 60.25 25.6 15.03 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 116.107 1.892 . . . . 0.0 116.107 177.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -72.24 144.23 48.52 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.508 1.123 . . . . 0.0 109.442 168.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -116.12 143.13 26.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 124.916 1.287 . . . . 0.0 113.165 -175.517 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -133.7 164.7 26.62 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 126.478 1.911 . . . . 0.0 111.629 -175.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm -81.92 -31.05 31.55 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.398 1.479 . . . . 0.0 114.014 -176.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -138.42 157.76 45.59 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.222 1.409 . . . . 0.0 111.918 -171.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -58.12 -50.06 74.82 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.047 0.939 . . . . 0.0 112.194 -178.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.9 p-80 -63.44 -25.77 68.43 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -177.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.5 m -69.91 -45.97 66.41 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.615 0.766 . . . . 0.0 111.774 177.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.8 tp -64.98 -46.75 80.16 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.018 0.527 . . . . 0.0 110.642 172.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.5 mm-40 -62.02 -32.94 73.49 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.57 0.748 . . . . 0.0 112.36 -172.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.83 -34.42 66.8 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.673 1.189 . . . . 0.0 113.467 171.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 57.2 t60 -66.24 -32.24 73.54 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.461 0.704 . . . . 0.0 111.893 173.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.0 mt -57.2 -25.82 59.65 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.715 1.006 . . . . 0.0 113.715 177.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 84.2 mtm180 -60.15 -21.84 62.12 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -179.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.0 pt -76.39 -26.92 17.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 CA-C-N 118.898 0.772 . . . . 0.0 112.068 173.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -88.96 -27.86 20.64 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.492 1.917 . . . . 0.0 112.689 179.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.9 p -77.38 -31.16 54.08 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-N 118.969 0.804 . . . . 0.0 113.161 173.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -73.16 144.47 46.86 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.524 1.13 . . . . 0.0 113.225 -175.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -137.81 157.8 45.68 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.093 1.757 . . . . 0.0 111.238 174.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 57.3 tttm . . . . . 0 C--O 1.252 1.226 0 C-N-CA 127.066 2.147 . . . . 0.0 113.441 -178.816 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.587 0 N-CA-C 111.976 -0.45 . . . . 0.0 111.976 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.5 p -79.69 170.57 16.34 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.742 1.217 . . . . 0.0 113.022 177.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 m -74.26 -9.73 58.9 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 -179.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.95 157.57 53.07 Favored Glycine 0 CA--C 1.538 1.515 0 C-N-CA 124.523 1.058 . . . . 0.0 113.967 179.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.2 p -149.06 161.16 42.51 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.117 1.367 . . . . 0.0 112.699 179.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.1 p -126.04 8.11 7.33 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.726 1.61 . . . . 0.0 114.314 -175.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.62 152.8 52.78 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 124.542 1.068 . . . . 0.0 114.514 -177.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -74.35 139.47 44.14 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.056 1.342 . . . . 0.0 110.95 178.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 pp -120.25 165.39 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 126.083 1.753 . . . . 0.0 112.471 -176.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -124.27 134.87 53.1 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 126.23 1.812 . . . . 0.0 110.606 178.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.0 m -116.85 136.27 53.08 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.384 1.073 . . . . 0.0 112.339 -171.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.1 t -68.06 125.72 27.24 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.793 1.237 . . . . 0.0 111.536 172.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -77.35 -8.46 57.71 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.299 -0.876 . . . . 0.0 113.107 175.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -104.76 -31.98 9.07 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.072 1.349 . . . . 0.0 113.899 -173.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.3 p -137.54 0.12 2.23 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 115.069 1.507 . . . . 0.0 115.069 178.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.315 0.5 OUTLIER 62.48 24.25 14.43 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 116.78 2.141 . . . . 0.0 116.78 174.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -73.98 143.67 45.52 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.928 1.291 . . . . 0.0 109.6 168.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -109.52 146.43 14.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.776 1.23 . . . . 0.0 112.883 179.318 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -132.85 156.21 47.59 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.812 2.045 . . . . 0.0 111.257 -175.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -80.43 -22.91 40.72 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.814 1.246 . . . . 0.0 113.953 -175.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -139.2 154.16 47.99 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 125.777 1.631 . . . . 0.0 111.221 -174.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -59.44 -50.08 75.34 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.864 0.866 . . . . 0.0 112.047 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -61.63 -27.15 68.46 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -177.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 57.8 m -69.56 -44.84 70.06 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.753 0.821 . . . . 0.0 111.958 176.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.7 tp -63.54 -46.9 83.86 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 122.442 0.297 . . . . 0.0 110.814 171.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -61.74 -33.73 74.57 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -172.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.47 -36.56 65.85 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.383 1.073 . . . . 0.0 113.009 171.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -62.26 -31.14 71.68 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.363 0.665 . . . . 0.0 112.238 173.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 48.7 mt -57.54 -25.33 59.73 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 121.019 -1.051 . . . . 0.0 113.458 175.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -62.0 -15.95 47.89 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -179.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 pt -82.5 -26.96 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 123.636 0.774 . . . . 0.0 112.495 171.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -91.73 -24.15 19.54 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.617 1.967 . . . . 0.0 113.189 -177.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 47.2 p -70.03 -26.1 63.88 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.976 0.91 . . . . 0.0 113.035 173.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -95.64 153.21 17.84 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.711 1.604 . . . . 0.0 112.065 178.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -73.98 155.31 38.75 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 -178.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.4 tmtt? . . . . . 0 C--O 1.253 1.238 0 C-N-CA 125.836 1.654 . . . . 0.0 110.491 179.941 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.588 0 N-CA-C 111.839 -0.504 . . . . 0.0 111.839 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.3 m -78.68 148.36 33.16 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.966 0.906 . . . . 0.0 112.299 176.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.8 m -133.89 137.65 45.09 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.279 1.432 . . . . 0.0 111.059 178.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.48 -7.38 8.7 Favored Glycine 0 CA--C 1.541 1.662 0 C-N-CA 124.989 1.281 . . . . 0.0 116.103 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.1 m -144.52 152.41 40.53 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.64 1.976 . . . . 0.0 111.167 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.1 m -83.29 16.28 2.55 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 125.314 1.446 . . . . 0.0 114.791 -174.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.74 -174.49 55.2 Favored Glycine 0 CA--C 1.532 1.125 0 C-N-CA 124.753 1.168 . . . . 0.0 114.289 -174.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -134.73 147.32 50.03 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.067 1.747 . . . . 0.0 110.829 176.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.4 pt -130.36 145.48 35.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 124.712 1.205 . . . . 0.0 112.338 169.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -129.3 123.7 32.49 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.97 2.108 . . . . 0.0 109.028 173.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.6 m -109.51 134.68 51.6 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.908 0.883 . . . . 0.0 112.639 -170.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.3 t -67.03 129.61 40.44 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.045 1.338 . . . . 0.0 111.119 172.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -79.82 -10.24 59.76 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.364 -0.835 . . . . 0.0 112.89 175.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -102.2 -34.23 9.34 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.902 1.281 . . . . 0.0 113.544 -173.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.1 p -134.36 0.35 3.06 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.294 7.7 m120 60.03 25.39 14.63 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 115.911 1.819 . . . . 0.0 115.911 177.558 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -73.68 143.83 46.06 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.707 1.203 . . . . 0.0 109.489 168.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -111.83 142.47 24.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 124.77 1.228 . . . . 0.0 112.729 -179.398 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -128.98 162.6 27.22 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 126.642 1.977 . . . . 0.0 110.993 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm -77.11 -31.94 56.2 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.817 1.247 . . . . 0.0 113.919 -175.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -139.19 160.48 39.71 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.174 1.39 . . . . 0.0 111.906 -170.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -59.15 -52.14 66.99 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.944 0.898 . . . . 0.0 112.444 -176.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 19.1 p80 -62.14 -28.38 69.6 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -177.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.1 m -66.18 -46.52 77.04 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.736 0.814 . . . . 0.0 111.906 177.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.0 tp -64.89 -46.0 83.61 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.03 0.532 . . . . 0.0 110.837 172.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -62.13 -32.97 73.62 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.409 0.683 . . . . 0.0 112.509 -173.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.44 -36.32 65.89 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.362 1.065 . . . . 0.0 113.066 171.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 61.4 t60 -62.37 -31.68 72.37 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.568 -0.708 . . . . 0.0 112.283 173.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.3 mt -57.33 -24.83 57.58 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 121.04 -1.038 . . . . 0.0 113.508 176.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.8 mtp85 -61.4 -15.75 39.86 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.0 pt -83.01 -26.09 8.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 123.585 0.754 . . . . 0.0 112.643 171.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -91.76 -22.64 20.07 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.718 2.007 . . . . 0.0 113.131 -178.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 47.5 p -73.78 -12.54 60.73 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.642 1.177 . . . . 0.0 114.169 175.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -128.86 153.35 47.54 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.644 1.578 . . . . 0.0 112.359 -174.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -142.11 142.84 32.81 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.321 1.448 . . . . 0.0 110.807 175.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.8 tttm . . . . . 0 C--O 1.253 1.269 0 C-N-CA 125.938 1.695 . . . . 0.0 111.468 -179.762 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.605 0 N-CA-C 111.947 -0.461 . . . . 0.0 111.947 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.7 t -147.45 151.76 36.96 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.038 1.335 . . . . 0.0 111.764 177.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.2 m -73.26 145.73 45.93 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.763 1.225 . . . . 0.0 113.051 -176.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.39 161.01 35.28 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 123.78 0.705 . . . . 0.0 113.019 171.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.9 p 60.11 -20.9 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 128.296 2.639 . . . . 0.0 117.582 -172.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.0 m -78.3 56.72 1.76 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.981 1.712 . . . . 0.0 112.313 179.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.32 -13.01 23.45 Favored Glycine 0 CA--C 1.539 1.584 0 C-N-CA 125.657 1.598 . . . . 0.0 114.494 -170.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.4 tptt -81.94 135.37 35.39 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.71 1.604 . . . . 0.0 111.35 175.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.9 pt -128.88 160.24 39.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 126.493 1.917 . . . . 0.0 111.275 170.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -127.17 134.35 50.17 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 126.056 1.743 . . . . 0.0 109.76 176.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.5 m -118.62 136.47 53.87 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.086 0.954 . . . . 0.0 111.741 -172.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.3 t -66.46 128.46 36.28 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.747 1.219 . . . . 0.0 110.678 171.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -75.55 -18.41 59.77 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 121.187 -0.946 . . . . 0.0 111.364 175.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -100.75 -32.77 10.55 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.93 1.292 . . . . 0.0 114.205 -169.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.3 p -133.5 0.21 3.29 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 115.087 1.514 . . . . 0.0 115.087 176.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.303 7.4 m120 61.03 25.77 15.78 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 116.033 1.864 . . . . 0.0 116.033 175.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -74.01 144.94 44.93 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.701 0.8 . . . . 0.0 108.893 167.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -105.53 151.19 7.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 124.99 1.316 . . . . 0.0 113.155 176.257 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -137.95 165.67 25.96 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 127.82 2.448 . . . . 0.0 110.76 -178.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -88.13 -30.46 19.81 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.35 1.46 . . . . 0.0 114.027 -176.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -135.8 152.55 51.2 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 125.613 1.565 . . . . 0.0 111.402 -173.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -59.79 -50.86 72.17 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.529 0.732 . . . . 0.0 112.035 -176.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -61.87 -25.02 67.29 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -177.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.6 m -71.7 -43.78 65.34 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.077 0.551 . . . . 0.0 111.865 176.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.2 tp -64.21 -44.07 93.06 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.139 0.576 . . . . 0.0 110.885 170.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -58.86 -37.76 77.24 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.315 0.646 . . . . 0.0 112.203 -175.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.08 -35.31 74.1 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.217 1.007 . . . . 0.0 112.95 173.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -65.38 -30.47 71.29 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.208 0.603 . . . . 0.0 112.451 174.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 46.1 mt -58.98 -24.2 62.47 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 120.728 -1.232 . . . . 0.0 113.569 176.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -62.57 -13.52 32.05 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.183 1.393 . . . . 0.0 114.14 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.5 pt -86.01 -26.12 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.016 0.926 . . . . 0.0 112.609 170.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -93.79 -33.33 13.62 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.725 2.01 . . . . 0.0 113.166 -176.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 t -114.61 127.73 55.94 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.003 1.321 . . . . 0.0 110.863 170.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 40.7 t-20 -156.93 168.76 26.51 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.669 1.588 . . . . 0.0 110.573 -173.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -77.18 -1.97 32.1 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.714 1.376 . . . . 0.0 114.714 177.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.6 ttpp . . . . . 0 C--O 1.254 1.334 0 C-N-CA 126.936 2.094 . . . . 0.0 111.173 178.164 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.1 pp . . . . . 0 N--CA 1.47 0.568 0 CA-C-O 122.043 0.925 . . . . 0.0 112.795 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -127.84 123.9 36.25 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.638 1.975 . . . . 0.0 109.738 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.4 m -110.15 134.52 52.11 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.15 0.98 . . . . 0.0 112.468 -171.073 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.9 t -69.43 124.04 22.83 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.242 1.417 . . . . 0.0 111.484 172.433 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -74.46 -8.18 55.46 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 177.389 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -104.78 -34.64 8.03 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.874 1.269 . . . . 0.0 113.543 -173.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.8 p -133.09 1.98 3.58 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 115.249 1.574 . . . . 0.0 115.249 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 60.93 21.76 11.99 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 126.06 1.744 . . . . 0.0 115.352 178.092 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -71.98 141.46 49.38 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.465 1.106 . . . . 0.0 110.233 169.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -111.74 143.07 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 125.023 1.329 . . . . 0.0 112.782 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -130.48 159.26 37.6 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 126.416 1.887 . . . . 0.0 111.585 -178.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -84.64 -22.0 30.06 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.639 1.176 . . . . 0.0 114.011 -176.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -136.97 147.03 46.06 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.555 1.542 . . . . 0.0 111.702 -175.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -58.71 -47.35 84.86 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.343 1.057 . . . . 0.0 112.811 -175.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 15.1 p-80 -62.02 -25.22 67.52 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.674 0.79 . . . . 0.0 113.009 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.0 t -70.73 -43.95 67.86 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.722 0.809 . . . . 0.0 110.785 177.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 54.5 tp -65.31 -50.66 64.82 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.48 0.712 . . . . 0.0 111.541 171.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -58.91 -34.2 71.42 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.483 0.713 . . . . 0.0 112.581 -173.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.93 -34.01 64.18 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.414 1.086 . . . . 0.0 113.581 173.066 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -65.76 -31.09 71.88 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.069 0.947 . . . . 0.0 112.036 173.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 50.5 mt -57.71 -26.56 61.94 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 120.993 -1.067 . . . . 0.0 113.545 177.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.8 mtm180 -62.19 -14.07 34.04 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 pt -83.08 -25.19 8.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 123.933 0.893 . . . . 0.0 112.555 171.157 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 . . . . . 0 CA--C 1.542 0.662 0 C-N-CA 127.332 2.253 . . . . 0.0 113.492 -177.097 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.6 pp . . . . . 0 N--CA 1.472 0.627 0 CA-C-O 121.28 0.562 . . . . 0.0 111.883 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -132.46 134.14 44.71 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.825 2.05 . . . . 0.0 109.658 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.3 m -116.45 134.39 54.92 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.184 0.993 . . . . 0.0 112.256 -172.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.5 t -68.56 123.93 22.19 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.385 1.474 . . . . 0.0 111.354 173.25 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -74.49 -8.61 56.88 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 177.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -102.83 -34.23 9.07 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.979 1.312 . . . . 0.0 113.54 -174.047 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.8 p -134.1 1.48 3.25 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 115.257 1.577 . . . . 0.0 115.257 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 60.53 22.6 12.31 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.055 1.742 . . . . 0.0 115.198 179.092 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -73.1 142.28 47.54 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.781 1.232 . . . . 0.0 110.068 169.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -111.24 145.1 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 124.754 1.221 . . . . 0.0 113.211 -178.803 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -132.55 164.2 27.15 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 127.491 2.316 . . . . 0.0 110.934 -177.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -90.46 -22.64 21.29 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.231 1.196 . . . . 0.0 114.231 -175.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -136.38 155.12 50.48 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.258 1.423 . . . . 0.0 111.435 -175.116 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -59.8 -49.49 77.5 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.583 0.753 . . . . 0.0 111.941 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -63.96 -25.07 67.97 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -178.212 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.9 m -70.07 -46.16 65.53 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.725 0.81 . . . . 0.0 111.55 177.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.4 tp -65.38 -45.81 82.62 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.182 0.593 . . . . 0.0 110.852 172.381 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 67.1 mm-40 -61.82 -32.69 73.02 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.42 0.688 . . . . 0.0 112.469 -173.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.99 -35.9 66.95 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.443 1.097 . . . . 0.0 113.16 170.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -64.01 -30.83 71.88 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.663 -0.648 . . . . 0.0 112.309 174.258 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.5 mt -58.7 -25.66 63.1 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 120.957 -1.089 . . . . 0.0 113.726 176.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -57.26 -23.55 48.99 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.746 1.218 . . . . 0.0 113.695 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 pt -79.87 -28.92 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 123.867 0.867 . . . . 0.0 112.472 175.178 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 . . . . . 0 CA--C 1.537 0.447 0 C-N-CA 126.035 1.734 . . . . 0.0 113.063 -174.993 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 pp . . . . . 0 CA--C 1.537 0.463 0 CA-C-O 121.194 0.521 . . . . 0.0 111.451 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -132.09 130.52 41.33 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 126.443 1.897 . . . . 0.0 109.888 -177.404 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.1 m -112.64 135.67 53.11 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.946 0.899 . . . . 0.0 112.766 -170.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.1 t -66.52 129.36 39.58 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.066 1.346 . . . . 0.0 111.293 171.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -79.63 -10.06 59.73 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.523 -0.736 . . . . 0.0 112.845 175.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -103.13 -33.84 9.08 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.959 1.304 . . . . 0.0 113.705 -173.382 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.2 p -134.79 0.07 2.9 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 115.181 1.549 . . . . 0.0 115.181 177.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.294 7.4 m120 60.38 25.1 14.62 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 116.029 1.863 . . . . 0.0 116.029 177.383 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -73.17 144.28 46.91 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.68 1.192 . . . . 0.0 109.383 168.055 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -112.19 143.71 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 124.741 1.216 . . . . 0.0 113.09 -178.503 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -130.13 160.83 32.59 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 126.993 2.117 . . . . 0.0 111.274 -175.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -87.69 -21.87 24.99 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 -174.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -138.32 153.25 49.0 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 125.645 1.578 . . . . 0.0 110.893 -176.179 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -60.15 -49.02 79.27 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.265 0.626 . . . . 0.0 112.076 -177.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -62.06 -24.76 67.29 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.499 0.925 . . . . 0.0 113.499 -178.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 63.2 m -71.95 -44.05 64.2 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.592 0.757 . . . . 0.0 111.719 177.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 45.1 tp -63.51 -46.19 87.21 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 122.604 0.362 . . . . 0.0 110.857 170.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -62.14 -33.92 75.4 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -173.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.32 -36.22 68.83 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.352 1.061 . . . . 0.0 113.022 171.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -63.24 -31.14 72.22 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.626 -0.671 . . . . 0.0 112.351 174.364 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 45.1 mt -57.52 -25.4 59.78 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 120.951 -1.093 . . . . 0.0 113.556 176.261 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -62.55 -12.98 25.88 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.801 1.24 . . . . 0.0 114.301 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 pt -85.34 -25.76 6.69 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 123.927 0.891 . . . . 0.0 112.715 170.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 . . . . . 0 CA--C 1.542 0.655 0 C-N-CA 126.827 2.051 . . . . 0.0 113.499 -176.014 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.3 pt . . . . . 0 N--CA 1.47 0.548 0 CA-C-O 121.323 0.582 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -124.91 132.37 53.31 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 126.865 2.066 . . . . 0.0 109.154 177.097 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.4 m -117.42 135.79 53.64 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.108 0.963 . . . . 0.0 111.951 -172.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.5 t -66.06 129.5 40.02 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.096 1.359 . . . . 0.0 111.274 172.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -79.47 -10.17 59.75 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.404 -0.81 . . . . 0.0 112.925 175.379 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -102.7 -33.8 9.28 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.895 1.278 . . . . 0.0 113.584 -173.36 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.3 p -135.84 0.04 2.63 Favored 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 115.162 1.541 . . . . 0.0 115.162 178.108 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.292 7.2 m120 60.51 25.73 15.37 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 115.953 1.834 . . . . 0.0 115.953 177.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -73.01 144.75 47.07 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.533 1.133 . . . . 0.0 109.323 168.062 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -115.16 144.34 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 124.735 1.214 . . . . 0.0 113.249 -175.265 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -134.29 160.73 37.01 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.976 2.11 . . . . 0.0 111.221 -174.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -88.95 -23.2 22.74 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 -175.354 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -135.24 153.18 52.01 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.619 1.568 . . . . 0.0 111.414 -173.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -60.11 -47.88 84.05 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.355 0.662 . . . . 0.0 112.072 -177.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 19.6 p-80 -63.48 -25.45 68.27 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.264 0.838 . . . . 0.0 113.264 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.4 m -72.14 -43.23 64.99 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.508 0.723 . . . . 0.0 111.593 178.434 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.8 tp -65.64 -46.74 78.04 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 122.656 0.383 . . . . 0.0 110.925 170.104 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 57.9 mm-40 -62.21 -32.64 73.33 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.352 0.661 . . . . 0.0 112.546 -173.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.72 -36.77 67.87 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.381 1.073 . . . . 0.0 113.155 170.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.8 t60 -62.87 -31.52 72.57 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.344 0.657 . . . . 0.0 112.281 174.384 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.3 mt -57.83 -24.21 56.36 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 120.928 -1.107 . . . . 0.0 113.69 176.446 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -62.62 -13.93 37.36 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.876 1.27 . . . . 0.0 114.18 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.0 pt -85.0 -25.56 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 123.9 0.88 . . . . 0.0 112.775 170.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 . . . . . 0 CA--C 1.543 0.71 0 C-N-CA 126.566 1.947 . . . . 0.0 113.01 -178.337 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.1 pp . . . . . 0 N--CA 1.469 0.494 0 CA-C-O 121.329 0.585 . . . . 0.0 111.551 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -123.28 126.07 46.22 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.748 1.619 . . . . 0.0 110.107 -177.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.3 m -110.3 134.12 52.58 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.112 0.965 . . . . 0.0 112.508 -171.421 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.0 t -69.3 123.9 22.41 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.195 1.398 . . . . 0.0 111.349 172.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -74.73 -8.48 56.52 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 177.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -102.78 -34.14 9.12 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.875 1.27 . . . . 0.0 113.515 -174.204 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.9 p -134.36 1.92 3.22 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.251 44.0 m-80 61.2 21.72 12.14 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 126.037 1.735 . . . . 0.0 115.485 177.723 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -73.86 143.38 45.88 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.635 1.174 . . . . 0.0 110.333 169.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -111.81 144.33 19.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 125.065 1.346 . . . . 0.0 113.107 -178.614 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -131.06 158.27 40.83 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 126.628 1.971 . . . . 0.0 111.582 -176.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -83.55 -24.03 31.77 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.669 1.188 . . . . 0.0 114.095 -174.247 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -137.8 154.36 49.56 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 125.841 1.657 . . . . 0.0 111.185 -175.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -60.03 -50.28 74.35 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.557 0.743 . . . . 0.0 112.092 -177.089 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 -61.78 -25.39 67.44 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -178.38 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.4 m -71.09 -44.06 66.44 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.581 0.752 . . . . 0.0 111.87 177.573 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.6 tp -63.88 -47.22 81.52 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 122.541 0.336 . . . . 0.0 110.651 170.49 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -62.35 -33.11 74.07 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -172.298 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.97 -37.88 66.91 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.61 1.164 . . . . 0.0 113.084 171.381 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -61.59 -32.2 72.29 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.318 0.647 . . . . 0.0 112.259 174.047 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.0 mt -56.4 -26.34 52.9 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 121.093 -1.005 . . . . 0.0 113.65 176.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -61.56 -20.04 62.83 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 -177.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.3 pt -77.96 -25.49 14.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 118.925 0.784 . . . . 0.0 112.514 172.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 . . . . . 0 CA--C 1.544 0.715 0 C-N-CA 126.876 2.07 . . . . 0.0 112.569 -179.668 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.8 pt . . . . . 0 N--CA 1.473 0.685 0 CA-C-O 121.286 0.565 . . . . 0.0 111.626 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -130.01 130.38 44.91 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 126.972 2.109 . . . . 0.0 109.392 176.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.9 m -114.67 133.78 55.6 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.27 1.028 . . . . 0.0 111.867 -172.489 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.4 t -67.85 123.6 21.02 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.209 1.404 . . . . 0.0 111.259 173.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -74.34 -8.37 56.01 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 177.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -103.46 -34.32 8.75 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.96 1.304 . . . . 0.0 113.568 -173.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.3 p -134.15 1.67 3.25 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 115.298 1.592 . . . . 0.0 115.298 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.25 42.8 m-80 60.86 22.58 12.66 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 126.03 1.732 . . . . 0.0 115.318 178.747 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -73.53 142.51 46.69 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.487 1.115 . . . . 0.0 110.091 169.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -111.88 144.1 20.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.792 1.237 . . . . 0.0 113.066 -178.03 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -131.73 162.66 29.95 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 127.378 2.271 . . . . 0.0 110.353 -178.465 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -87.81 -25.18 23.48 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -176.202 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -134.76 157.87 45.63 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.331 1.452 . . . . 0.0 111.577 -173.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -61.44 -52.45 64.51 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.416 0.686 . . . . 0.0 112.168 -176.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 19.8 p80 -60.93 -29.13 69.43 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.553 0.741 . . . . 0.0 112.945 -177.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.9 m -65.48 -45.95 81.64 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.12 0.968 . . . . 0.0 112.105 178.016 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.3 tp -66.94 -45.99 76.09 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.258 0.623 . . . . 0.0 110.817 171.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -60.79 -34.3 74.3 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.453 0.701 . . . . 0.0 112.276 -173.219 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.61 -33.42 68.97 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.737 1.215 . . . . 0.0 113.499 171.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -67.94 -31.04 70.51 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.448 0.699 . . . . 0.0 112.03 173.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.8 mt -58.24 -25.11 61.32 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 120.924 -1.11 . . . . 0.0 113.603 177.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 84.6 mtm180 -60.02 -16.34 30.1 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.814 1.246 . . . . 0.0 114.13 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 pt -83.8 -24.99 7.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 123.825 0.85 . . . . 0.0 112.704 172.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 . . . . . 0 CA--C 1.544 0.731 0 C-N-CA 126.968 2.107 . . . . 0.0 113.352 -177.352 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.1 pt . . . . . 0 N--CA 1.471 0.623 0 CA-C-O 121.272 0.558 . . . . 0.0 111.894 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -128.35 130.96 48.53 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.942 2.097 . . . . 0.0 109.408 176.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.1 m -115.79 134.68 54.76 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.278 1.031 . . . . 0.0 112.074 -171.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.4 t -67.48 126.86 30.62 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.424 1.49 . . . . 0.0 111.21 173.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -77.12 -9.64 58.87 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 176.513 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -102.23 -33.72 9.52 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.826 1.25 . . . . 0.0 113.654 -173.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.9 p -135.58 1.51 2.85 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 115.268 1.581 . . . . 0.0 115.268 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.4 m120 60.94 23.18 13.31 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.007 1.723 . . . . 0.0 115.597 178.259 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -72.7 143.54 48.02 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.848 1.259 . . . . 0.0 109.93 169.489 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -114.34 143.97 22.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 124.923 1.289 . . . . 0.0 113.167 -176.606 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -133.53 163.49 29.27 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 127.029 2.132 . . . . 0.0 111.184 -176.112 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -90.12 -22.69 21.64 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 -175.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -135.93 155.84 49.67 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.208 1.403 . . . . 0.0 111.453 -174.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -60.02 -49.77 76.36 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.628 0.771 . . . . 0.0 112.013 -179.08 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 11.6 p-80 -63.6 -25.51 68.26 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 -178.272 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.8 m -69.5 -46.18 67.18 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.772 0.829 . . . . 0.0 111.599 177.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.9 tp -65.32 -46.38 80.54 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.015 0.526 . . . . 0.0 110.801 172.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -62.42 -32.36 73.2 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.367 0.667 . . . . 0.0 112.58 -172.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.83 -36.87 67.59 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.399 1.08 . . . . 0.0 113.12 170.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -63.27 -31.22 72.32 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 121.613 -0.679 . . . . 0.0 112.314 174.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.9 mt -57.77 -24.53 57.62 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 120.859 -1.151 . . . . 0.0 113.736 176.625 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -62.96 -14.69 50.5 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.731 1.212 . . . . 0.0 114.067 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.9 pt -83.66 -26.14 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 123.881 0.873 . . . . 0.0 112.696 170.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 . . . . . 0 CA--C 1.543 0.687 0 C-N-CA 126.587 1.955 . . . . 0.0 113.091 -178.135 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.3 pp . . . . . 0 CA--C 1.537 0.452 0 CA-C-O 121.714 0.768 . . . . 0.0 112.357 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -125.4 125.74 43.88 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.678 1.991 . . . . 0.0 109.655 -178.284 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.5 m -109.03 134.45 51.65 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.03 0.932 . . . . 0.0 112.551 -171.472 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.5 t -67.85 126.32 29.05 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.238 1.415 . . . . 0.0 111.189 171.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -76.73 -9.36 58.62 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 176.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -103.12 -33.83 9.08 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.822 1.249 . . . . 0.0 113.747 -173.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.6 p -134.75 1.64 3.08 Favored 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.252 15.4 m120 61.39 22.17 12.62 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.077 1.751 . . . . 0.0 115.678 177.38 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -73.43 143.77 46.6 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.718 1.207 . . . . 0.0 110.149 169.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -112.45 143.03 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 125.043 1.337 . . . . 0.0 112.937 -178.415 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -130.45 159.62 36.5 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 126.582 1.953 . . . . 0.0 111.632 -176.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -86.04 -21.86 27.52 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -174.265 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -136.36 154.83 50.72 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.585 1.554 . . . . 0.0 111.335 -176.189 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -60.61 -48.93 79.6 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.458 0.703 . . . . 0.0 112.031 -178.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 11.0 p-80 -63.97 -24.72 67.83 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 74.2 m -70.24 -45.73 65.87 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.611 0.765 . . . . 0.0 111.6 177.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.3 tp -64.35 -46.62 82.65 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 122.727 0.411 . . . . 0.0 110.717 171.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -62.7 -32.35 73.43 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.346 0.659 . . . . 0.0 112.625 -172.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.34 -36.92 66.25 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.266 1.026 . . . . 0.0 113.128 170.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -62.78 -31.03 71.92 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.594 -0.691 . . . . 0.0 112.349 174.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.8 mt -57.65 -25.0 59.53 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 120.919 -1.113 . . . . 0.0 113.544 176.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -64.08 -11.87 33.82 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.844 1.258 . . . . 0.0 114.378 -179.021 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 pt -85.2 -26.68 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 123.928 0.891 . . . . 0.0 112.454 169.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 . . . . . 0 CA--C 1.544 0.718 0 C-N-CA 126.875 2.07 . . . . 0.0 113.126 -178.196 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 pp . . . . . 0 CA--C 1.538 0.5 0 CA-C-O 121.179 0.514 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -130.19 127.98 40.79 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 125.997 1.719 . . . . 0.0 109.808 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.7 m -108.94 134.83 51.08 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.028 0.931 . . . . 0.0 112.493 -171.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.9 t -69.91 123.21 20.93 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.96 1.304 . . . . 0.0 111.061 172.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -74.95 -8.21 55.84 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 177.17 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -103.59 -34.12 8.76 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.976 1.31 . . . . 0.0 113.625 -173.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.5 p -132.92 2.56 3.68 Favored 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 61.15 21.89 12.26 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 126.122 1.769 . . . . 0.0 115.485 176.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -76.47 144.59 39.76 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.987 0.915 . . . . 0.0 110.047 169.261 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.1 m -103.6 151.34 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 124.967 1.307 . . . . 0.0 113.169 173.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -134.43 159.4 41.2 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 127.657 2.383 . . . . 0.0 110.586 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -83.46 -26.19 30.5 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -174.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -137.5 153.23 50.07 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.579 1.552 . . . . 0.0 111.112 -174.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -60.25 -50.21 74.54 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.354 0.662 . . . . 0.0 112.123 -176.432 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -61.54 -24.97 67.0 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 -178.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.8 m -72.31 -43.83 63.59 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.583 0.753 . . . . 0.0 111.865 177.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.1 tp -64.12 -45.86 86.74 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 122.642 0.377 . . . . 0.0 110.726 170.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -61.48 -34.15 74.97 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.267 0.627 . . . . 0.0 112.527 -173.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.17 -36.1 66.54 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.19 0.996 . . . . 0.0 112.991 171.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -62.95 -30.75 71.81 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.574 -0.703 . . . . 0.0 112.31 173.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 45.6 mt -57.72 -24.81 58.76 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 120.958 -1.089 . . . . 0.0 113.425 175.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.4 mtp85 -61.74 -15.59 42.24 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.6 pt -83.07 -30.6 8.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 123.592 0.757 . . . . 0.0 111.971 170.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 . . . . . 0 CA--C 1.541 0.624 0 C-N-CA 126.317 1.847 . . . . 0.0 112.993 -178.277 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.1 pp . . . . . 0 CA--C 1.537 0.466 0 CA-C-O 121.406 0.622 . . . . 0.0 111.299 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -117.99 122.45 43.26 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.876 1.67 . . . . 0.0 109.783 -179.377 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.1 m -107.5 133.97 51.21 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.081 0.952 . . . . 0.0 112.468 -172.07 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.4 t -68.95 123.62 21.5 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.323 1.449 . . . . 0.0 111.322 172.499 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -74.43 -8.2 55.5 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 177.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -103.6 -34.42 8.65 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.985 1.314 . . . . 0.0 113.551 -173.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.8 p -133.98 1.83 3.31 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 115.354 1.613 . . . . 0.0 115.354 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.25 43.4 m-80 61.32 21.67 12.15 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.097 1.759 . . . . 0.0 115.454 178.094 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -73.21 143.06 47.3 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.559 1.143 . . . . 0.0 110.301 169.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -112.53 143.1 22.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 125.058 1.343 . . . . 0.0 112.931 -178.276 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -130.4 159.91 35.6 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.427 1.891 . . . . 0.0 111.637 -177.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -83.73 -24.1 31.32 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.523 1.129 . . . . 0.0 113.977 -174.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -137.78 154.31 49.58 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.612 1.565 . . . . 0.0 111.478 -174.103 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -59.46 -49.01 79.43 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.788 0.835 . . . . 0.0 112.328 -178.05 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.1 p-80 -63.61 -25.7 68.35 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.82 0.848 . . . . 0.0 113.281 -178.259 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.7 m -71.36 -43.95 65.95 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.53 0.732 . . . . 0.0 111.531 178.194 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.8 tp -65.17 -47.41 77.09 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 122.552 0.341 . . . . 0.0 110.808 170.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -62.33 -32.28 73.03 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.346 0.658 . . . . 0.0 112.755 -171.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.69 -37.26 62.69 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.182 0.993 . . . . 0.0 113.061 170.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -61.24 -31.25 71.04 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.616 -0.678 . . . . 0.0 112.188 173.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.7 mt -57.06 -26.07 59.74 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.002 -1.061 . . . . 0.0 113.342 175.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.8 mtt-85 -63.93 -10.45 21.19 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -178.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.2 pt -85.08 -25.38 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 123.798 0.839 . . . . 0.0 112.472 169.317 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 . . . . . 0 CA--C 1.544 0.747 0 C-N-CA 127.329 2.252 . . . . 0.0 113.266 -177.609 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.9 pp . . . . . 0 N--CA 1.47 0.542 0 CA-C-O 121.907 0.861 . . . . 0.0 112.677 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -127.55 128.5 45.73 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.498 1.919 . . . . 0.0 109.66 178.557 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.9 m -110.04 135.44 50.86 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.086 0.955 . . . . 0.0 112.45 -171.465 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.2 t -69.73 125.96 28.29 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.763 1.225 . . . . 0.0 110.919 172.423 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -77.06 -9.41 58.7 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 176.518 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -102.85 -33.77 9.23 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.909 1.284 . . . . 0.0 113.697 -173.529 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.8 p -133.73 2.32 3.43 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 115.08 1.511 . . . . 0.0 115.08 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.5 m120 61.42 22.18 12.63 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 115.677 1.732 . . . . 0.0 115.677 175.205 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -76.29 145.2 39.79 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.125 0.97 . . . . 0.0 109.825 169.071 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -104.03 151.18 6.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 125.022 1.329 . . . . 0.0 113.131 173.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -135.08 159.13 42.5 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 127.657 2.383 . . . . 0.0 110.494 -179.471 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -83.07 -23.94 32.92 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 114.063 1.135 . . . . 0.0 114.063 -175.208 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -138.08 152.79 49.12 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.478 1.511 . . . . 0.0 111.684 -173.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -58.44 -49.86 75.79 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.966 0.906 . . . . 0.0 112.274 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.3 p-80 -63.67 -25.98 68.46 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.745 0.818 . . . . 0.0 113.168 -178.062 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.5 m -72.47 -43.09 64.2 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.506 0.722 . . . . 0.0 111.651 178.289 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.6 tp -64.59 -46.76 81.33 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 122.729 0.412 . . . . 0.0 110.742 170.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -61.87 -33.43 74.19 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.536 0.734 . . . . 0.0 112.5 -173.561 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.3 -35.42 66.1 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.409 1.084 . . . . 0.0 113.179 171.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -63.78 -31.96 73.31 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.37 0.668 . . . . 0.0 112.162 173.434 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.7 mt -56.9 -24.81 54.82 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 120.993 -1.067 . . . . 0.0 113.481 176.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 -62.93 -19.24 64.06 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -179.473 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.5 pt -78.2 -32.04 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 O-C-N 121.419 -0.801 . . . . 0.0 111.629 170.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 . . . . . 0 CA--C 1.543 0.683 0 C-N-CA 125.684 1.594 . . . . 0.0 112.139 178.177 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.6 pp . . . . . 0 N--CA 1.472 0.655 0 CA-C-O 121.231 0.539 . . . . 0.0 111.538 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -132.5 131.46 41.65 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 126.437 1.895 . . . . 0.0 109.938 -177.528 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.9 m -114.99 135.56 54.1 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.149 0.98 . . . . 0.0 112.379 -171.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.6 t -66.05 128.71 37.16 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.998 1.319 . . . . 0.0 111.106 171.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -79.08 -9.57 59.59 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.461 -0.774 . . . . 0.0 112.878 175.418 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -103.58 -33.81 8.87 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.927 1.291 . . . . 0.0 113.63 -173.243 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.0 p -135.11 0.15 2.82 Favored 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 115.212 1.56 . . . . 0.0 115.212 177.651 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.295 7.4 m120 60.69 25.37 15.15 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 115.991 1.849 . . . . 0.0 115.991 177.414 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -73.2 144.06 46.93 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.598 1.159 . . . . 0.0 109.392 167.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -112.71 144.43 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.818 1.247 . . . . 0.0 113.14 -177.368 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -131.92 160.79 34.73 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 127.187 2.195 . . . . 0.0 110.963 -175.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -88.85 -22.71 23.06 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 -174.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -135.69 155.21 50.77 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.578 1.551 . . . . 0.0 110.748 -175.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -63.09 -52.01 64.34 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.843 -0.536 . . . . 0.0 111.963 -175.481 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -60.47 -26.82 67.07 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.167 0.802 . . . . 0.0 113.167 -178.533 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 71.9 m -66.34 -45.43 80.24 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.978 0.911 . . . . 0.0 111.873 176.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.2 tp -64.6 -45.32 87.45 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.071 0.549 . . . . 0.0 110.887 170.019 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -59.99 -36.12 76.51 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 118.643 0.656 . . . . 0.0 112.246 -174.209 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.11 -36.57 74.94 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.477 1.111 . . . . 0.0 112.973 172.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -63.85 -31.16 72.25 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.273 0.629 . . . . 0.0 112.355 174.221 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.9 mt -58.55 -24.78 61.52 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 120.88 -1.137 . . . . 0.0 113.578 176.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -62.67 -14.24 41.5 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.801 1.24 . . . . 0.0 114.141 -178.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.0 pt -84.21 -24.93 7.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 123.981 0.912 . . . . 0.0 112.657 170.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 . . . . . 0 CA--C 1.544 0.736 0 C-N-CA 126.975 2.11 . . . . 0.0 113.442 -176.531 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.6 pt . . . . . 0 N--CA 1.475 0.794 0 CA-C-O 121.611 0.719 . . . . 0.0 112.3 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -126.98 132.23 50.86 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.852 2.061 . . . . 0.0 109.379 175.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.1 m -117.27 134.11 55.19 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.168 0.987 . . . . 0.0 111.9 -172.041 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.8 t -67.15 123.65 20.89 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.394 1.478 . . . . 0.0 111.25 173.59 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -74.35 -8.0 54.78 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 177.658 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -103.84 -34.23 8.61 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.968 1.307 . . . . 0.0 113.551 -173.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.4 p -134.92 1.52 3.02 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 115.361 1.615 . . . . 0.0 115.361 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.254 42.7 m-80 61.23 22.56 12.88 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 126.038 1.735 . . . . 0.0 115.484 178.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -72.86 143.78 47.68 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.518 1.127 . . . . 0.0 110.029 169.336 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -115.03 144.25 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 124.888 1.275 . . . . 0.0 113.355 -174.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -133.93 162.32 32.38 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 127.04 2.136 . . . . 0.0 111.355 -175.368 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -90.71 -22.95 20.87 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -174.364 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -137.88 155.37 49.03 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.86 1.664 . . . . 0.0 110.943 -175.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -61.79 -52.79 62.75 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.154 0.582 . . . . 0.0 112.388 -174.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -60.19 -27.66 67.33 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.716 0.806 . . . . 0.0 113.115 -177.634 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 64.7 m -66.99 -44.48 80.28 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.0 0.92 . . . . 0.0 111.905 177.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.8 tp -65.25 -45.42 84.66 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.235 0.614 . . . . 0.0 110.819 169.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -58.91 -37.1 75.87 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 118.652 0.66 . . . . 0.0 112.29 -174.407 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.06 -36.57 75.08 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.228 1.011 . . . . 0.0 112.989 173.211 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -63.65 -31.13 72.2 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.084 0.554 . . . . 0.0 112.251 173.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.9 mt -58.68 -25.79 63.19 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 120.922 -1.111 . . . . 0.0 113.581 177.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 92.2 mtt-85 -60.05 -19.38 52.62 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -178.635 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 pt -78.99 -23.31 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 123.78 0.832 . . . . 0.0 112.699 173.156 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 . . . . . 0 CA--C 1.545 0.76 0 C-N-CA 127.338 2.255 . . . . 0.0 113.472 -177.439 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 pp . . . . . 0 N--CA 1.468 0.465 0 CA-C-O 121.389 0.614 . . . . 0.0 111.582 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -125.14 125.05 43.1 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.033 1.733 . . . . 0.0 109.743 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.5 m -109.9 134.06 52.49 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.142 0.977 . . . . 0.0 112.28 -171.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.7 t -68.74 123.27 20.47 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.254 1.422 . . . . 0.0 111.231 172.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -74.16 -8.16 55.17 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 177.428 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -104.06 -34.29 8.48 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.997 1.319 . . . . 0.0 113.619 -173.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.1 p -134.05 2.01 3.31 Favored 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.25 43.6 m-80 61.34 21.74 12.22 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.092 1.757 . . . . 0.0 115.502 177.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -72.89 142.51 47.91 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.636 1.174 . . . . 0.0 110.312 169.597 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -111.87 144.15 20.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.941 1.297 . . . . 0.0 113.085 -178.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -131.63 161.04 33.66 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.556 1.942 . . . . 0.0 111.69 -177.482 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -84.82 -24.76 28.52 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -175.253 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -135.9 155.28 50.54 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.481 1.512 . . . . 0.0 111.588 -174.444 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -60.32 -49.64 76.81 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.699 0.8 . . . . 0.0 112.111 -178.59 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 11.3 p-80 -63.84 -24.93 67.94 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.769 0.828 . . . . 0.0 113.199 -178.179 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.9 m -70.08 -45.98 65.87 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.714 0.806 . . . . 0.0 111.574 177.45 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.4 tp -64.57 -46.68 81.7 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 122.867 0.467 . . . . 0.0 110.594 171.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -62.43 -32.24 73.06 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.299 0.64 . . . . 0.0 112.597 -172.04 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.47 -37.95 65.61 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.309 1.044 . . . . 0.0 113.052 170.5 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -61.81 -31.01 71.21 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.622 -0.674 . . . . 0.0 112.311 174.405 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.7 mt -57.9 -25.13 60.4 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 120.987 -1.071 . . . . 0.0 113.565 175.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 74.1 mtp85 -62.21 -15.31 45.81 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -177.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.9 pt -82.77 -28.42 8.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 123.82 0.848 . . . . 0.0 112.27 171.198 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 . . . . . 0 CA--C 1.542 0.64 0 C-N-CA 126.777 2.031 . . . . 0.0 113.207 -177.546 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.6 pt . . . . . 0 N--CA 1.473 0.704 0 CA-C-O 121.261 0.553 . . . . 0.0 111.438 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -122.03 130.72 53.53 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 126.616 1.966 . . . . 0.0 109.617 176.03 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.8 m -115.78 135.59 53.87 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.193 0.997 . . . . 0.0 112.118 -172.447 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.1 t -65.97 129.28 39.26 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.237 1.415 . . . . 0.0 111.245 172.723 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -79.53 -9.6 59.65 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.415 -0.803 . . . . 0.0 112.951 175.202 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -103.18 -33.83 9.06 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.853 1.261 . . . . 0.0 113.591 -173.378 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.3 p -135.61 0.08 2.69 Favored 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 177.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.291 7.3 m120 60.25 25.8 15.23 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 115.92 1.822 . . . . 0.0 115.92 178.434 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -72.92 145.14 47.03 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.497 1.119 . . . . 0.0 109.357 168.011 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -116.15 143.32 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 124.745 1.218 . . . . 0.0 113.123 -174.54 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -133.35 160.65 36.72 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 126.711 2.004 . . . . 0.0 111.345 -174.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -89.06 -22.81 22.75 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.371 1.249 . . . . 0.0 114.371 -174.015 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -137.08 155.37 49.73 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 125.806 1.643 . . . . 0.0 111.224 -176.335 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -60.58 -49.71 76.44 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.341 0.657 . . . . 0.0 112.041 -176.382 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -61.44 -25.26 67.1 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -178.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.1 m -71.15 -44.12 66.17 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.775 0.83 . . . . 0.0 111.896 177.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.4 tp -65.03 -46.13 82.6 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 122.779 0.432 . . . . 0.0 110.922 170.301 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -62.0 -33.72 74.86 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -173.194 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.25 -36.15 69.0 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.454 1.101 . . . . 0.0 113.027 171.599 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -63.36 -31.24 72.34 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.313 0.645 . . . . 0.0 112.294 174.312 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.0 mt -57.95 -24.6 58.66 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 120.941 -1.099 . . . . 0.0 113.792 176.505 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -62.17 -14.56 38.7 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.815 1.246 . . . . 0.0 114.226 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.9 pt -84.72 -25.96 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 123.866 0.866 . . . . 0.0 112.756 171.118 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 . . . . . 0 CA--C 1.541 0.621 0 C-N-CA 126.684 1.994 . . . . 0.0 113.273 -177.158 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.5 pt . . . . . 0 N--CA 1.471 0.614 0 CA-C-O 121.64 0.733 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -123.72 137.23 54.74 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.223 2.209 . . . . 0.0 109.328 174.336 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.1 m -119.68 135.7 54.72 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 119.4 1.0 . . . . 0.0 111.787 -174.375 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.4 t -69.93 124.02 22.98 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.168 1.387 . . . . 0.0 111.064 174.012 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -75.09 -8.6 57.01 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 177.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -102.93 -34.1 9.08 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.955 1.302 . . . . 0.0 113.579 -173.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.1 p -133.36 2.01 3.5 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 115.212 1.56 . . . . 0.0 115.212 179.295 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.25 43.2 m-80 60.95 22.73 12.89 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.891 1.677 . . . . 0.0 115.34 177.602 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -75.83 144.72 41.13 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.382 -0.824 . . . . 0.0 109.902 169.195 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -104.88 150.87 7.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 125.214 1.406 . . . . 0.0 113.288 176.537 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -137.61 162.87 32.64 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 127.773 2.429 . . . . 0.0 111.004 -178.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -90.89 -23.83 20.39 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.336 1.235 . . . . 0.0 114.336 -175.355 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -136.17 154.48 50.95 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 125.298 1.439 . . . . 0.0 111.568 -174.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -60.57 -50.41 73.64 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.639 0.776 . . . . 0.0 112.017 -178.234 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.9 p-80 -63.14 -25.62 68.44 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.837 0.855 . . . . 0.0 113.192 -178.405 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.6 m -69.89 -45.94 66.54 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.743 0.817 . . . . 0.0 111.679 177.383 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.7 tp -65.99 -45.56 81.17 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 122.913 0.485 . . . . 0.0 110.726 172.591 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -62.18 -33.25 74.17 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.492 0.717 . . . . 0.0 112.656 -173.468 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.59 -35.45 65.4 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.985 0.914 . . . . 0.0 113.031 170.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -63.54 -30.59 71.68 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.519 -0.738 . . . . 0.0 112.223 174.095 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.9 mt -57.53 -24.33 55.41 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 120.94 -1.1 . . . . 0.0 113.419 175.373 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 68.7 mtp85 -62.06 -13.53 27.23 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 pt -85.72 -25.37 6.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 124.013 0.925 . . . . 0.0 112.745 170.718 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 . . . . . 0 CA--C 1.543 0.674 0 C-N-CA 126.814 2.046 . . . . 0.0 113.602 -176.095 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.3 pt . . . . . 0 N--CA 1.472 0.63 0 CA-C-O 120.965 0.412 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -125.18 127.38 46.7 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.734 1.614 . . . . 0.0 109.642 176.505 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.8 m -114.43 135.63 53.89 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.367 1.067 . . . . 0.0 112.272 -172.096 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.9 t -66.62 129.76 40.92 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.072 1.349 . . . . 0.0 111.37 172.464 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -79.61 -9.98 59.72 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 121.429 -0.794 . . . . 0.0 112.962 175.302 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -103.02 -34.3 8.96 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.905 1.282 . . . . 0.0 113.576 -173.604 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.1 p -135.32 0.35 2.79 Favored 'General case' 0 CA--C 1.552 1.021 0 N-CA-C 115.289 1.589 . . . . 0.0 115.289 178.325 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.291 7.3 m120 60.25 25.6 15.03 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 116.107 1.892 . . . . 0.0 116.107 177.684 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -72.24 144.23 48.52 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.508 1.123 . . . . 0.0 109.442 168.136 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -116.12 143.13 26.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 124.916 1.287 . . . . 0.0 113.165 -175.517 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -133.7 164.7 26.62 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 126.478 1.911 . . . . 0.0 111.629 -175.499 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm -81.92 -31.05 31.55 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.398 1.479 . . . . 0.0 114.014 -176.092 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -138.42 157.76 45.59 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.222 1.409 . . . . 0.0 111.918 -171.407 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -58.12 -50.06 74.82 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.047 0.939 . . . . 0.0 112.194 -178.083 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.9 p-80 -63.44 -25.77 68.43 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -177.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.5 m -69.91 -45.97 66.41 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.615 0.766 . . . . 0.0 111.774 177.137 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.8 tp -64.98 -46.75 80.16 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.018 0.527 . . . . 0.0 110.642 172.446 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.5 mm-40 -62.02 -32.94 73.49 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.57 0.748 . . . . 0.0 112.36 -172.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.83 -34.42 66.8 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.673 1.189 . . . . 0.0 113.467 171.512 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 57.2 t60 -66.24 -32.24 73.54 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.461 0.704 . . . . 0.0 111.893 173.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.0 mt -57.2 -25.82 59.65 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.715 1.006 . . . . 0.0 113.715 177.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 84.2 mtm180 -60.15 -21.84 62.12 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -179.558 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.0 pt -76.39 -26.92 17.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 CA-C-N 118.898 0.772 . . . . 0.0 112.068 173.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 . . . . . 0 CA--C 1.544 0.727 0 C-N-CA 126.492 1.917 . . . . 0.0 112.689 179.288 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 pp . . . . . 0 N--CA 1.47 0.57 0 CA-C-O 121.879 0.847 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -124.27 134.87 53.1 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 126.23 1.812 . . . . 0.0 110.606 178.598 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.0 m -116.85 136.27 53.08 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.384 1.073 . . . . 0.0 112.339 -171.249 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.1 t -68.06 125.72 27.24 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.793 1.237 . . . . 0.0 111.536 172.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -77.35 -8.46 57.71 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.299 -0.876 . . . . 0.0 113.107 175.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -104.76 -31.98 9.07 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.072 1.349 . . . . 0.0 113.899 -173.59 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.3 p -137.54 0.12 2.23 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 115.069 1.507 . . . . 0.0 115.069 178.444 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.315 0.5 OUTLIER 62.48 24.25 14.43 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 116.78 2.141 . . . . 0.0 116.78 174.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -73.98 143.67 45.52 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.928 1.291 . . . . 0.0 109.6 168.258 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -109.52 146.43 14.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.776 1.23 . . . . 0.0 112.883 179.318 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -132.85 156.21 47.59 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.812 2.045 . . . . 0.0 111.257 -175.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -80.43 -22.91 40.72 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.814 1.246 . . . . 0.0 113.953 -175.415 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -139.2 154.16 47.99 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 125.777 1.631 . . . . 0.0 111.221 -174.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -59.44 -50.08 75.34 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.864 0.866 . . . . 0.0 112.047 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -61.63 -27.15 68.46 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -177.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 57.8 m -69.56 -44.84 70.06 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.753 0.821 . . . . 0.0 111.958 176.131 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.7 tp -63.54 -46.9 83.86 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 122.442 0.297 . . . . 0.0 110.814 171.041 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -61.74 -33.73 74.57 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -172.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.47 -36.56 65.85 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.383 1.073 . . . . 0.0 113.009 171.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -62.26 -31.14 71.68 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.363 0.665 . . . . 0.0 112.238 173.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 48.7 mt -57.54 -25.33 59.73 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 121.019 -1.051 . . . . 0.0 113.458 175.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -62.0 -15.95 47.89 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -179.262 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 pt -82.5 -26.96 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 123.636 0.774 . . . . 0.0 112.495 171.156 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 . . . . . 0 CA--C 1.543 0.684 0 C-N-CA 126.617 1.967 . . . . 0.0 113.189 -177.473 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.4 pt . . . . . 0 N--CA 1.472 0.629 0 CA-C-O 121.361 0.601 . . . . 0.0 112.338 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -129.3 123.7 32.49 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.97 2.108 . . . . 0.0 109.028 173.346 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.6 m -109.51 134.68 51.6 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.908 0.883 . . . . 0.0 112.639 -170.107 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.3 t -67.03 129.61 40.44 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.045 1.338 . . . . 0.0 111.119 172.059 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -79.82 -10.24 59.76 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.364 -0.835 . . . . 0.0 112.89 175.29 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -102.2 -34.23 9.34 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.902 1.281 . . . . 0.0 113.544 -173.427 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.1 p -134.36 0.35 3.06 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.294 7.7 m120 60.03 25.39 14.63 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 115.911 1.819 . . . . 0.0 115.911 177.558 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -73.68 143.83 46.06 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.707 1.203 . . . . 0.0 109.489 168.188 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -111.83 142.47 24.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 124.77 1.228 . . . . 0.0 112.729 -179.398 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -128.98 162.6 27.22 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 126.642 1.977 . . . . 0.0 110.993 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm -77.11 -31.94 56.2 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.817 1.247 . . . . 0.0 113.919 -175.094 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -139.19 160.48 39.71 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.174 1.39 . . . . 0.0 111.906 -170.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -59.15 -52.14 66.99 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.944 0.898 . . . . 0.0 112.444 -176.469 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 19.1 p80 -62.14 -28.38 69.6 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -177.667 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.1 m -66.18 -46.52 77.04 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.736 0.814 . . . . 0.0 111.906 177.334 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.0 tp -64.89 -46.0 83.61 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.03 0.532 . . . . 0.0 110.837 172.098 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -62.13 -32.97 73.62 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.409 0.683 . . . . 0.0 112.509 -173.209 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.44 -36.32 65.89 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.362 1.065 . . . . 0.0 113.066 171.161 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 61.4 t60 -62.37 -31.68 72.37 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.568 -0.708 . . . . 0.0 112.283 173.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.3 mt -57.33 -24.83 57.58 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 121.04 -1.038 . . . . 0.0 113.508 176.178 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.8 mtp85 -61.4 -15.75 39.86 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.0 pt -83.01 -26.09 8.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 123.585 0.754 . . . . 0.0 112.643 171.346 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 . . . . . 0 CA--C 1.544 0.718 0 C-N-CA 126.718 2.007 . . . . 0.0 113.131 -178.067 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.9 pt . . . . . 0 N--CA 1.472 0.644 0 CA-C-O 121.259 0.552 . . . . 0.0 111.275 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -127.17 134.35 50.17 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 126.056 1.743 . . . . 0.0 109.76 176.36 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.5 m -118.62 136.47 53.87 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.086 0.954 . . . . 0.0 111.741 -172.283 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.3 t -66.46 128.46 36.28 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.747 1.219 . . . . 0.0 110.678 171.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -75.55 -18.41 59.77 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 121.187 -0.946 . . . . 0.0 111.364 175.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -100.75 -32.77 10.55 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.93 1.292 . . . . 0.0 114.205 -169.507 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.3 p -133.5 0.21 3.29 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 115.087 1.514 . . . . 0.0 115.087 176.427 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.303 7.4 m120 61.03 25.77 15.78 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 116.033 1.864 . . . . 0.0 116.033 175.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -74.01 144.94 44.93 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.701 0.8 . . . . 0.0 108.893 167.124 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -105.53 151.19 7.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 124.99 1.316 . . . . 0.0 113.155 176.257 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -137.95 165.67 25.96 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 127.82 2.448 . . . . 0.0 110.76 -178.064 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -88.13 -30.46 19.81 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.35 1.46 . . . . 0.0 114.027 -176.16 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -135.8 152.55 51.2 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 125.613 1.565 . . . . 0.0 111.402 -173.447 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -59.79 -50.86 72.17 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.529 0.732 . . . . 0.0 112.035 -176.516 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -61.87 -25.02 67.29 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -177.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.6 m -71.7 -43.78 65.34 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.077 0.551 . . . . 0.0 111.865 176.597 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.2 tp -64.21 -44.07 93.06 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.139 0.576 . . . . 0.0 110.885 170.764 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -58.86 -37.76 77.24 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.315 0.646 . . . . 0.0 112.203 -175.416 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.08 -35.31 74.1 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.217 1.007 . . . . 0.0 112.95 173.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -65.38 -30.47 71.29 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.208 0.603 . . . . 0.0 112.451 174.029 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 46.1 mt -58.98 -24.2 62.47 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 120.728 -1.232 . . . . 0.0 113.569 176.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -62.57 -13.52 32.05 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.183 1.393 . . . . 0.0 114.14 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.5 pt -86.01 -26.12 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.016 0.926 . . . . 0.0 112.609 170.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 . . . . . 0 CA--C 1.541 0.614 0 C-N-CA 126.725 2.01 . . . . 0.0 113.166 -176.376 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.636 0 N-CA-C 111.719 -0.552 . . . . 0.0 111.719 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.0 m -67.87 147.77 52.06 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.393 1.077 . . . . 0.0 113.013 -178.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.4 p -80.35 -13.06 59.48 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.896 1.278 . . . . 0.0 114.373 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.15 -169.15 38.63 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 125.601 1.572 . . . . 0.0 112.773 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.1 m -133.81 147.7 51.26 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.187 1.395 . . . . 0.0 111.882 -178.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.4 m -144.58 161.28 39.52 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.527 1.531 . . . . 0.0 112.027 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.82 -136.94 2.44 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 125.263 1.411 . . . . 0.0 111.597 -177.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.8 tmtt? -63.7 136.36 57.41 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.886 0.874 . . . . 0.0 110.405 171.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.1 pp -120.07 169.12 11.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 125.815 1.646 . . . . 0.0 112.795 -174.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -127.84 123.9 36.25 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.638 1.975 . . . . 0.0 109.738 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.4 m -110.15 134.52 52.11 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.15 0.98 . . . . 0.0 112.468 -171.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.9 t -69.43 124.04 22.83 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.242 1.417 . . . . 0.0 111.484 172.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -74.46 -8.18 55.46 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 177.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -104.78 -34.64 8.03 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.874 1.269 . . . . 0.0 113.543 -173.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.8 p -133.09 1.98 3.58 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 115.249 1.574 . . . . 0.0 115.249 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 60.93 21.76 11.99 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 126.06 1.744 . . . . 0.0 115.352 178.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -71.98 141.46 49.38 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.465 1.106 . . . . 0.0 110.233 169.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -111.74 143.07 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 125.023 1.329 . . . . 0.0 112.782 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -130.48 159.26 37.6 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 126.416 1.887 . . . . 0.0 111.585 -178.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -84.64 -22.0 30.06 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.639 1.176 . . . . 0.0 114.011 -176.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -136.97 147.03 46.06 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.555 1.542 . . . . 0.0 111.702 -175.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -58.71 -47.35 84.86 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.343 1.057 . . . . 0.0 112.811 -175.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 15.1 p-80 -62.02 -25.22 67.52 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.674 0.79 . . . . 0.0 113.009 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.0 t -70.73 -43.95 67.86 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.722 0.809 . . . . 0.0 110.785 177.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 54.5 tp -65.31 -50.66 64.82 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.48 0.712 . . . . 0.0 111.541 171.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -58.91 -34.2 71.42 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.483 0.713 . . . . 0.0 112.581 -173.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.93 -34.01 64.18 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.414 1.086 . . . . 0.0 113.581 173.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -65.76 -31.09 71.88 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.069 0.947 . . . . 0.0 112.036 173.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 50.5 mt -57.71 -26.56 61.94 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 120.993 -1.067 . . . . 0.0 113.545 177.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.8 mtm180 -62.19 -14.07 34.04 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 pt -83.08 -25.19 8.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 123.933 0.893 . . . . 0.0 112.555 171.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -96.57 -29.73 13.7 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 127.332 2.253 . . . . 0.0 113.492 -177.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.4 t -133.28 166.81 21.63 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.496 1.518 . . . . 0.0 112.818 -175.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -136.38 163.29 30.8 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.887 1.675 . . . . 0.0 112.382 -178.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -140.85 147.53 39.1 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.311 1.445 . . . . 0.0 111.4 -178.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm . . . . . 0 C--O 1.253 1.258 0 C-N-CA 126.034 1.733 . . . . 0.0 111.22 178.591 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.611 0 N-CA-C 112.09 -0.404 . . . . 0.0 112.09 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.3 t -149.4 150.79 32.97 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.149 1.38 . . . . 0.0 111.822 178.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 m -74.67 -16.12 60.78 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.664 1.186 . . . . 0.0 113.25 172.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.9 -178.53 36.42 Favored Glycine 0 CA--C 1.539 1.541 0 C-N-CA 124.788 1.185 . . . . 0.0 114.449 -176.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.0 p -133.16 1.3 3.5 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.199 1.4 . . . . 0.0 114.675 -175.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.9 m -76.75 -18.48 58.44 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 -173.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.26 147.38 42.49 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 124.286 0.946 . . . . 0.0 113.906 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -75.3 145.3 41.93 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.169 0.988 . . . . 0.0 112.019 175.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.6 pp -135.32 157.3 39.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 125.494 1.518 . . . . 0.0 111.883 171.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -132.46 134.14 44.71 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.825 2.05 . . . . 0.0 109.658 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.3 m -116.45 134.39 54.92 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.184 0.993 . . . . 0.0 112.256 -172.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.5 t -68.56 123.93 22.19 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.385 1.474 . . . . 0.0 111.354 173.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -74.49 -8.61 56.88 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 177.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -102.83 -34.23 9.07 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.979 1.312 . . . . 0.0 113.54 -174.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.8 p -134.1 1.48 3.25 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 115.257 1.577 . . . . 0.0 115.257 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 60.53 22.6 12.31 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.055 1.742 . . . . 0.0 115.198 179.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -73.1 142.28 47.54 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.781 1.232 . . . . 0.0 110.068 169.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -111.24 145.1 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 124.754 1.221 . . . . 0.0 113.211 -178.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -132.55 164.2 27.15 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 127.491 2.316 . . . . 0.0 110.934 -177.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -90.46 -22.64 21.29 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.231 1.196 . . . . 0.0 114.231 -175.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -136.38 155.12 50.48 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.258 1.423 . . . . 0.0 111.435 -175.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -59.8 -49.49 77.5 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.583 0.753 . . . . 0.0 111.941 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -63.96 -25.07 67.97 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -178.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.9 m -70.07 -46.16 65.53 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.725 0.81 . . . . 0.0 111.55 177.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.4 tp -65.38 -45.81 82.62 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.182 0.593 . . . . 0.0 110.852 172.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 67.1 mm-40 -61.82 -32.69 73.02 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.42 0.688 . . . . 0.0 112.469 -173.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.99 -35.9 66.95 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.443 1.097 . . . . 0.0 113.16 170.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -64.01 -30.83 71.88 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.663 -0.648 . . . . 0.0 112.309 174.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.5 mt -58.7 -25.66 63.1 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 120.957 -1.089 . . . . 0.0 113.726 176.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -57.26 -23.55 48.99 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.746 1.218 . . . . 0.0 113.695 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 pt -79.87 -28.92 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 123.867 0.867 . . . . 0.0 112.472 175.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -87.23 -37.93 16.8 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.035 1.734 . . . . 0.0 113.063 -174.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.7 t -101.76 25.68 8.29 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.881 1.272 . . . . 0.0 112.964 177.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -64.71 142.44 58.43 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.542 1.137 . . . . 0.0 111.397 172.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -117.69 -0.15 11.88 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.52 1.528 . . . . 0.0 114.361 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt . . . . . 0 C--O 1.254 1.309 0 C-N-CA 125.7 1.6 . . . . 0.0 112.724 -177.27 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.575 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.4 p -68.16 158.67 32.65 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.202 1.001 . . . . 0.0 112.775 174.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.1 p 56.89 19.36 4.47 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 116.476 2.028 . . . . 0.0 116.476 -178.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.75 155.53 50.09 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 124.466 1.031 . . . . 0.0 114.098 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.1 p -79.43 -10.83 59.88 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 -176.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.0 p -144.71 162.93 35.48 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.835 1.654 . . . . 0.0 112.42 178.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.2 -167.29 54.3 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 124.327 0.965 . . . . 0.0 114.418 -178.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.7 tptp -143.43 138.21 29.17 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.942 1.697 . . . . 0.0 110.813 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 pp -130.05 164.88 31.65 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 126.349 1.86 . . . . 0.0 111.451 176.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -132.09 130.52 41.33 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 126.443 1.897 . . . . 0.0 109.888 -177.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.1 m -112.64 135.67 53.11 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.946 0.899 . . . . 0.0 112.766 -170.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.1 t -66.52 129.36 39.58 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.066 1.346 . . . . 0.0 111.293 171.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -79.63 -10.06 59.73 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.523 -0.736 . . . . 0.0 112.845 175.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -103.13 -33.84 9.08 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.959 1.304 . . . . 0.0 113.705 -173.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.2 p -134.79 0.07 2.9 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 115.181 1.549 . . . . 0.0 115.181 177.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.294 7.4 m120 60.38 25.1 14.62 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 116.029 1.863 . . . . 0.0 116.029 177.383 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -73.17 144.28 46.91 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.68 1.192 . . . . 0.0 109.383 168.055 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -112.19 143.71 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 124.741 1.216 . . . . 0.0 113.09 -178.503 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -130.13 160.83 32.59 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 126.993 2.117 . . . . 0.0 111.274 -175.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -87.69 -21.87 24.99 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 -174.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -138.32 153.25 49.0 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 125.645 1.578 . . . . 0.0 110.893 -176.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -60.15 -49.02 79.27 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.265 0.626 . . . . 0.0 112.076 -177.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -62.06 -24.76 67.29 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.499 0.925 . . . . 0.0 113.499 -178.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 63.2 m -71.95 -44.05 64.2 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.592 0.757 . . . . 0.0 111.719 177.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 45.1 tp -63.51 -46.19 87.21 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 122.604 0.362 . . . . 0.0 110.857 170.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -62.14 -33.92 75.4 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -173.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.32 -36.22 68.83 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.352 1.061 . . . . 0.0 113.022 171.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -63.24 -31.14 72.22 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.626 -0.671 . . . . 0.0 112.351 174.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 45.1 mt -57.52 -25.4 59.78 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 120.951 -1.093 . . . . 0.0 113.556 176.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -62.55 -12.98 25.88 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.801 1.24 . . . . 0.0 114.301 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 pt -85.34 -25.76 6.69 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 123.927 0.891 . . . . 0.0 112.715 170.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -93.79 -28.08 16.1 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.827 2.051 . . . . 0.0 113.499 -176.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.6 t -127.69 161.67 28.37 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.305 1.442 . . . . 0.0 112.52 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -141.78 163.29 33.29 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.874 1.67 . . . . 0.0 111.463 -175.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -70.56 157.43 37.91 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.28 1.032 . . . . 0.0 113.475 177.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.6 tptt . . . . . 0 C--O 1.253 1.237 0 C-N-CA 126.09 1.756 . . . . 0.0 111.368 -178.985 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.588 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.0 m -68.91 -19.5 64.21 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 -179.228 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.8 p -140.46 160.22 40.48 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.462 1.905 . . . . 0.0 111.514 174.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.77 145.52 26.16 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 124.187 0.898 . . . . 0.0 113.54 178.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.4 m -80.15 148.6 30.86 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.482 1.113 . . . . 0.0 112.513 177.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.2 p -83.55 154.35 23.88 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.658 1.183 . . . . 0.0 112.658 173.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.67 -166.0 40.0 Favored Glycine 0 CA--C 1.539 1.539 0 C-N-CA 124.33 0.967 . . . . 0.0 114.312 -177.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.408 ' HE3' ' CE1' ' A' ' 10' ' ' PHE . 43.2 tptt -91.02 135.17 33.93 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.846 1.258 . . . . 0.0 111.333 175.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.3 pt -133.09 159.49 43.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 126.304 1.842 . . . . 0.0 111.3 169.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.408 ' CE1' ' HE3' ' A' ' 8' ' ' LYS . 92.0 m-85 -124.91 132.37 53.31 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 126.865 2.066 . . . . 0.0 109.154 177.097 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.4 m -117.42 135.79 53.64 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.108 0.963 . . . . 0.0 111.951 -172.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.5 t -66.06 129.5 40.02 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.096 1.359 . . . . 0.0 111.274 172.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -79.47 -10.17 59.75 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.404 -0.81 . . . . 0.0 112.925 175.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -102.7 -33.8 9.28 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.895 1.278 . . . . 0.0 113.584 -173.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.3 p -135.84 0.04 2.63 Favored 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 115.162 1.541 . . . . 0.0 115.162 178.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.292 7.2 m120 60.51 25.73 15.37 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 115.953 1.834 . . . . 0.0 115.953 177.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -73.01 144.75 47.07 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.533 1.133 . . . . 0.0 109.323 168.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -115.16 144.34 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 124.735 1.214 . . . . 0.0 113.249 -175.265 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -134.29 160.73 37.01 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.976 2.11 . . . . 0.0 111.221 -174.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -88.95 -23.2 22.74 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 -175.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -135.24 153.18 52.01 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.619 1.568 . . . . 0.0 111.414 -173.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -60.11 -47.88 84.05 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.355 0.662 . . . . 0.0 112.072 -177.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 19.6 p-80 -63.48 -25.45 68.27 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.264 0.838 . . . . 0.0 113.264 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.4 m -72.14 -43.23 64.99 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.508 0.723 . . . . 0.0 111.593 178.434 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.8 tp -65.64 -46.74 78.04 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 122.656 0.383 . . . . 0.0 110.925 170.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 57.9 mm-40 -62.21 -32.64 73.33 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.352 0.661 . . . . 0.0 112.546 -173.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.72 -36.77 67.87 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.381 1.073 . . . . 0.0 113.155 170.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.8 t60 -62.87 -31.52 72.57 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.344 0.657 . . . . 0.0 112.281 174.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.3 mt -57.83 -24.21 56.36 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 120.928 -1.107 . . . . 0.0 113.69 176.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -62.62 -13.93 37.36 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.876 1.27 . . . . 0.0 114.18 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.0 pt -85.0 -25.56 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 123.9 0.88 . . . . 0.0 112.775 170.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -91.84 -24.35 19.39 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.566 1.947 . . . . 0.0 113.01 -178.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 38.8 p -67.44 156.97 35.29 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.657 1.183 . . . . 0.0 112.473 171.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -73.48 163.13 28.46 Favored 'General case' 0 CA--C 1.548 0.887 0 O-C-N 121.638 -0.663 . . . . 0.0 112.458 173.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -104.2 14.55 30.17 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.987 1.315 . . . . 0.0 113.839 -175.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 79.4 tttt . . . . . 0 C--O 1.253 1.257 0 C-N-CA 127.42 2.288 . . . . 0.0 113.39 -174.917 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.584 0 N-CA-C 111.85 -0.5 . . . . 0.0 111.85 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.6 p -146.07 160.19 42.24 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.312 1.445 . . . . 0.0 112.503 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.9 m -81.15 -11.16 59.52 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 -176.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.33 -167.25 40.37 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 124.854 1.216 . . . . 0.0 113.542 -177.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.4 t -67.43 152.34 45.85 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.199 0.999 . . . . 0.0 112.628 178.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.6 p -149.03 169.93 19.52 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.595 1.558 . . . . 0.0 112.853 -175.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.36 -177.84 48.96 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.72 1.152 . . . . 0.0 114.563 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -71.62 138.3 48.6 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.201 1.4 . . . . 0.0 112.135 -174.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.1 pp -124.89 166.91 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 126.844 2.057 . . . . 0.0 111.551 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -123.28 126.07 46.22 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.748 1.619 . . . . 0.0 110.107 -177.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.3 m -110.3 134.12 52.58 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.112 0.965 . . . . 0.0 112.508 -171.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.0 t -69.3 123.9 22.41 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.195 1.398 . . . . 0.0 111.349 172.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -74.73 -8.48 56.52 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 177.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -102.78 -34.14 9.12 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.875 1.27 . . . . 0.0 113.515 -174.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.9 p -134.36 1.92 3.22 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.251 44.0 m-80 61.2 21.72 12.14 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 126.037 1.735 . . . . 0.0 115.485 177.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -73.86 143.38 45.88 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.635 1.174 . . . . 0.0 110.333 169.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -111.81 144.33 19.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 125.065 1.346 . . . . 0.0 113.107 -178.614 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -131.06 158.27 40.83 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 126.628 1.971 . . . . 0.0 111.582 -176.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -83.55 -24.03 31.77 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.669 1.188 . . . . 0.0 114.095 -174.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -137.8 154.36 49.56 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 125.841 1.657 . . . . 0.0 111.185 -175.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -60.03 -50.28 74.35 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.557 0.743 . . . . 0.0 112.092 -177.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 -61.78 -25.39 67.44 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -178.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.4 m -71.09 -44.06 66.44 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.581 0.752 . . . . 0.0 111.87 177.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.6 tp -63.88 -47.22 81.52 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 122.541 0.336 . . . . 0.0 110.651 170.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -62.35 -33.11 74.07 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -172.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.97 -37.88 66.91 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.61 1.164 . . . . 0.0 113.084 171.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -61.59 -32.2 72.29 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.318 0.647 . . . . 0.0 112.259 174.047 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.0 mt -56.4 -26.34 52.9 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 121.093 -1.005 . . . . 0.0 113.65 176.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -61.56 -20.04 62.83 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 -177.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.3 pt -77.96 -25.49 14.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 118.925 0.784 . . . . 0.0 112.514 172.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -91.28 -28.64 17.65 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.876 2.07 . . . . 0.0 112.569 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 73.3 p -73.78 -33.95 64.46 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.742 0.817 . . . . 0.0 113.136 176.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -86.84 139.96 30.15 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.461 1.104 . . . . 0.0 112.482 -177.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.7 163.51 16.49 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.603 1.561 . . . . 0.0 112.921 175.378 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.9 mttp . . . . . 0 C--O 1.254 1.329 0 C-N-CA 126.118 1.767 . . . . 0.0 111.907 -177.619 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.631 0 N-CA-C 111.906 -0.477 . . . . 0.0 111.906 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.1 m -62.78 -19.59 64.16 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 115.081 1.511 . . . . 0.0 115.081 -171.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -75.82 -8.18 56.24 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.975 1.31 . . . . 0.0 114.112 175.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.9 -161.72 13.41 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 125.223 1.392 . . . . 0.0 114.219 175.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.1 t -65.15 145.95 55.6 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.846 0.858 . . . . 0.0 112.254 177.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.6 p -78.63 154.86 29.89 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.765 1.226 . . . . 0.0 113.935 -174.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.86 167.22 33.2 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.225 1.393 . . . . 0.0 112.817 178.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -74.09 129.93 38.81 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.031 0.932 . . . . 0.0 111.215 178.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.8 pt -139.08 159.95 29.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 125.656 1.582 . . . . 0.0 111.626 170.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -130.01 130.38 44.91 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 126.972 2.109 . . . . 0.0 109.392 176.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.9 m -114.67 133.78 55.6 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.27 1.028 . . . . 0.0 111.867 -172.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.4 t -67.85 123.6 21.02 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.209 1.404 . . . . 0.0 111.259 173.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -74.34 -8.37 56.01 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 177.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -103.46 -34.32 8.75 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.96 1.304 . . . . 0.0 113.568 -173.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.3 p -134.15 1.67 3.25 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 115.298 1.592 . . . . 0.0 115.298 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.25 42.8 m-80 60.86 22.58 12.66 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 126.03 1.732 . . . . 0.0 115.318 178.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -73.53 142.51 46.69 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.487 1.115 . . . . 0.0 110.091 169.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -111.88 144.1 20.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.792 1.237 . . . . 0.0 113.066 -178.03 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -131.73 162.66 29.95 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 127.378 2.271 . . . . 0.0 110.353 -178.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -87.81 -25.18 23.48 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -176.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -134.76 157.87 45.63 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.331 1.452 . . . . 0.0 111.577 -173.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -61.44 -52.45 64.51 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.416 0.686 . . . . 0.0 112.168 -176.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 19.8 p80 -60.93 -29.13 69.43 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.553 0.741 . . . . 0.0 112.945 -177.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.9 m -65.48 -45.95 81.64 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.12 0.968 . . . . 0.0 112.105 178.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.3 tp -66.94 -45.99 76.09 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.258 0.623 . . . . 0.0 110.817 171.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -60.79 -34.3 74.3 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.453 0.701 . . . . 0.0 112.276 -173.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.61 -33.42 68.97 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.737 1.215 . . . . 0.0 113.499 171.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -67.94 -31.04 70.51 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.448 0.699 . . . . 0.0 112.03 173.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.8 mt -58.24 -25.11 61.32 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 120.924 -1.11 . . . . 0.0 113.603 177.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 84.6 mtm180 -60.02 -16.34 30.1 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.814 1.246 . . . . 0.0 114.13 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 pt -83.8 -24.99 7.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 123.825 0.85 . . . . 0.0 112.704 172.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -94.95 -24.93 16.74 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.968 2.107 . . . . 0.0 113.352 -177.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.8 p -64.43 148.6 50.17 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.667 1.187 . . . . 0.0 112.948 177.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -145.16 159.16 43.42 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.175 1.39 . . . . 0.0 111.169 177.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -77.48 158.82 29.76 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.515 1.126 . . . . 0.0 113.288 177.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt . . . . . 0 C--O 1.253 1.273 0 C-N-CA 126.552 1.941 . . . . 0.0 111.63 179.896 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.549 0 N-CA-C 111.601 -0.6 . . . . 0.0 111.601 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.9 p -78.09 -21.54 50.34 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 -177.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.5 m -137.21 148.27 46.4 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.806 1.642 . . . . 0.0 111.826 178.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.33 -174.81 49.52 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 124.525 1.06 . . . . 0.0 114.001 174.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -59.2 -21.73 59.94 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.068 1.347 . . . . 0.0 114.251 -177.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.3 m -60.95 -14.91 25.83 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.324 1.45 . . . . 0.0 114.051 174.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.36 -10.4 74.67 Favored Glycine 0 CA--C 1.54 1.622 0 C-N-CA 124.696 1.141 . . . . 0.0 115.039 172.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -63.94 139.85 58.81 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 118.918 1.359 . . . . 0.0 111.617 175.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.1 pt -130.77 160.05 42.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 125.688 1.595 . . . . 0.0 111.894 171.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -128.35 130.96 48.53 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.942 2.097 . . . . 0.0 109.408 176.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.1 m -115.79 134.68 54.76 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.278 1.031 . . . . 0.0 112.074 -171.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.4 t -67.48 126.86 30.62 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.424 1.49 . . . . 0.0 111.21 173.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -77.12 -9.64 58.87 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 176.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -102.23 -33.72 9.52 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.826 1.25 . . . . 0.0 113.654 -173.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.9 p -135.58 1.51 2.85 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 115.268 1.581 . . . . 0.0 115.268 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.4 m120 60.94 23.18 13.31 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.007 1.723 . . . . 0.0 115.597 178.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -72.7 143.54 48.02 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.848 1.259 . . . . 0.0 109.93 169.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -114.34 143.97 22.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 124.923 1.289 . . . . 0.0 113.167 -176.606 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -133.53 163.49 29.27 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 127.029 2.132 . . . . 0.0 111.184 -176.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -90.12 -22.69 21.64 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 -175.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -135.93 155.84 49.67 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.208 1.403 . . . . 0.0 111.453 -174.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -60.02 -49.77 76.36 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.628 0.771 . . . . 0.0 112.013 -179.08 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 11.6 p-80 -63.6 -25.51 68.26 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 -178.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.8 m -69.5 -46.18 67.18 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.772 0.829 . . . . 0.0 111.599 177.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.9 tp -65.32 -46.38 80.54 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.015 0.526 . . . . 0.0 110.801 172.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -62.42 -32.36 73.2 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.367 0.667 . . . . 0.0 112.58 -172.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.83 -36.87 67.59 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.399 1.08 . . . . 0.0 113.12 170.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -63.27 -31.22 72.32 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 121.613 -0.679 . . . . 0.0 112.314 174.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.9 mt -57.77 -24.53 57.62 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 120.859 -1.151 . . . . 0.0 113.736 176.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -62.96 -14.69 50.5 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.731 1.212 . . . . 0.0 114.067 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.9 pt -83.66 -26.14 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 123.881 0.873 . . . . 0.0 112.696 170.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -91.45 -24.6 19.64 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.587 1.955 . . . . 0.0 113.091 -178.135 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 32.3 p -68.95 138.75 54.84 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.473 1.109 . . . . 0.0 112.446 174.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -99.26 -56.16 2.49 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.047 0.939 . . . . 0.0 111.191 171.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -153.74 136.77 15.5 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.456 1.503 . . . . 0.0 110.341 174.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.4 mmtm . . . . . 0 C--O 1.253 1.254 0 C-N-CA 126.663 1.985 . . . . 0.0 111.209 175.894 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.621 0 N-CA-C 111.747 -0.541 . . . . 0.0 111.747 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.5 p -83.45 -16.7 44.75 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -178.124 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.4 m -67.58 147.63 52.5 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.884 1.273 . . . . 0.0 113.048 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.1 166.07 35.92 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.705 1.145 . . . . 0.0 113.214 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.4 m -71.81 140.43 49.41 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.263 1.025 . . . . 0.0 112.788 -177.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.1 p -127.47 0.37 6.26 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.45 1.5 . . . . 0.0 114.545 -177.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.66 -163.33 54.31 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 124.604 1.097 . . . . 0.0 113.658 -175.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -70.33 138.67 51.64 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.818 0.847 . . . . 0.0 110.748 174.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.3 pp -125.03 164.69 23.45 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 C-N-CA 125.599 1.559 . . . . 0.0 112.357 -178.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -125.4 125.74 43.88 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.678 1.991 . . . . 0.0 109.655 -178.284 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.5 m -109.03 134.45 51.65 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.03 0.932 . . . . 0.0 112.551 -171.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.5 t -67.85 126.32 29.05 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.238 1.415 . . . . 0.0 111.189 171.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -76.73 -9.36 58.62 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 176.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -103.12 -33.83 9.08 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.822 1.249 . . . . 0.0 113.747 -173.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.6 p -134.75 1.64 3.08 Favored 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.252 15.4 m120 61.39 22.17 12.62 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.077 1.751 . . . . 0.0 115.678 177.38 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -73.43 143.77 46.6 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.718 1.207 . . . . 0.0 110.149 169.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -112.45 143.03 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 125.043 1.337 . . . . 0.0 112.937 -178.415 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -130.45 159.62 36.5 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 126.582 1.953 . . . . 0.0 111.632 -176.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -86.04 -21.86 27.52 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -174.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -136.36 154.83 50.72 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.585 1.554 . . . . 0.0 111.335 -176.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -60.61 -48.93 79.6 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.458 0.703 . . . . 0.0 112.031 -178.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 11.0 p-80 -63.97 -24.72 67.83 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 74.2 m -70.24 -45.73 65.87 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.611 0.765 . . . . 0.0 111.6 177.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.3 tp -64.35 -46.62 82.65 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 122.727 0.411 . . . . 0.0 110.717 171.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -62.7 -32.35 73.43 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.346 0.659 . . . . 0.0 112.625 -172.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.34 -36.92 66.25 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.266 1.026 . . . . 0.0 113.128 170.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -62.78 -31.03 71.92 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.594 -0.691 . . . . 0.0 112.349 174.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.8 mt -57.65 -25.0 59.53 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 120.919 -1.113 . . . . 0.0 113.544 176.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -64.08 -11.87 33.82 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.844 1.258 . . . . 0.0 114.378 -179.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 pt -85.2 -26.68 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 123.928 0.891 . . . . 0.0 112.454 169.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -92.9 -27.28 17.19 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.875 2.07 . . . . 0.0 113.126 -178.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.6 t -133.15 144.35 49.83 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.487 1.515 . . . . 0.0 112.078 175.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -152.96 161.39 42.6 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.454 1.501 . . . . 0.0 110.766 178.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -71.02 141.6 50.94 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.886 0.875 . . . . 0.0 111.777 174.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.1 pttp . . . . . 0 C--O 1.254 1.291 0 C-N-CA 126.108 1.763 . . . . 0.0 112.801 -179.091 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.631 0 N-CA-C 112.151 -0.38 . . . . 0.0 112.151 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.6 m -68.93 152.72 44.92 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.641 1.176 . . . . 0.0 113.22 -178.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.4 m -76.0 -9.28 58.49 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 114.86 1.43 . . . . 0.0 114.86 -176.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.53 167.47 36.74 Favored Glycine 0 CA--C 1.538 1.478 0 C-N-CA 124.989 1.281 . . . . 0.0 113.875 -174.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.5 p -153.61 158.21 40.81 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.801 1.24 . . . . 0.0 112.84 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.5 m -90.44 154.65 19.5 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.949 1.3 . . . . 0.0 112.309 176.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.23 -175.73 45.6 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 124.503 1.049 . . . . 0.0 113.48 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.8 tptp -65.43 132.81 49.9 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.352 1.061 . . . . 0.0 111.589 178.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 pp -132.0 170.36 20.03 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 126.954 2.102 . . . . 0.0 111.169 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -130.19 127.98 40.79 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 125.997 1.719 . . . . 0.0 109.808 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.7 m -108.94 134.83 51.08 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.028 0.931 . . . . 0.0 112.493 -171.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.9 t -69.91 123.21 20.93 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.96 1.304 . . . . 0.0 111.061 172.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -74.95 -8.21 55.84 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 177.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -103.59 -34.12 8.76 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.976 1.31 . . . . 0.0 113.625 -173.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.5 p -132.92 2.56 3.68 Favored 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 61.15 21.89 12.26 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 126.122 1.769 . . . . 0.0 115.485 176.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -76.47 144.59 39.76 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.987 0.915 . . . . 0.0 110.047 169.261 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.1 m -103.6 151.34 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 124.967 1.307 . . . . 0.0 113.169 173.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -134.43 159.4 41.2 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 127.657 2.383 . . . . 0.0 110.586 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -83.46 -26.19 30.5 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -174.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -137.5 153.23 50.07 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.579 1.552 . . . . 0.0 111.112 -174.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -60.25 -50.21 74.54 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.354 0.662 . . . . 0.0 112.123 -176.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -61.54 -24.97 67.0 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 -178.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.8 m -72.31 -43.83 63.59 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.583 0.753 . . . . 0.0 111.865 177.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.1 tp -64.12 -45.86 86.74 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 122.642 0.377 . . . . 0.0 110.726 170.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -61.48 -34.15 74.97 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.267 0.627 . . . . 0.0 112.527 -173.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.17 -36.1 66.54 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.19 0.996 . . . . 0.0 112.991 171.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -62.95 -30.75 71.81 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.574 -0.703 . . . . 0.0 112.31 173.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 45.6 mt -57.72 -24.81 58.76 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 120.958 -1.089 . . . . 0.0 113.425 175.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.4 mtp85 -61.74 -15.59 42.24 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.6 pt -83.07 -30.6 8.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 123.592 0.757 . . . . 0.0 111.971 170.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -86.37 -25.42 25.36 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.317 1.847 . . . . 0.0 112.993 -178.277 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 64.5 p -69.56 -18.8 63.68 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.303 1.041 . . . . 0.0 113.106 170.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 56.1 t30 54.12 39.78 31.01 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 126.334 1.854 . . . . 0.0 113.855 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -69.38 155.34 40.59 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.924 0.889 . . . . 0.0 112.47 173.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? . . . . . 0 C--O 1.253 1.261 0 C-N-CA 125.542 1.537 . . . . 0.0 111.887 -176.526 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.579 0 N-CA-C 110.546 -1.021 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.3 m 52.22 37.45 22.0 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.832 1.253 . . . . 0.0 112.96 -170.116 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 m -73.4 -12.24 60.74 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.631 1.572 . . . . 0.0 114.936 -169.12 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.6 179.18 48.78 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 125.437 1.494 . . . . 0.0 112.877 179.314 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.7 m 54.08 32.36 15.52 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.592 1.557 . . . . 0.0 114.867 177.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.6 p -76.33 -13.84 60.12 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.189 1.396 . . . . 0.0 114.647 -176.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.53 160.6 32.67 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 125.262 1.41 . . . . 0.0 112.795 176.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -86.33 139.66 30.77 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.686 1.194 . . . . 0.0 111.983 -178.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.1 pp -127.91 164.35 29.52 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 C-N-CA 126.796 2.038 . . . . 0.0 111.299 176.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -117.99 122.45 43.26 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.876 1.67 . . . . 0.0 109.783 -179.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.1 m -107.5 133.97 51.21 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.081 0.952 . . . . 0.0 112.468 -172.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.4 t -68.95 123.62 21.5 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.323 1.449 . . . . 0.0 111.322 172.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -74.43 -8.2 55.5 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 177.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -103.6 -34.42 8.65 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.985 1.314 . . . . 0.0 113.551 -173.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.8 p -133.98 1.83 3.31 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 115.354 1.613 . . . . 0.0 115.354 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.25 43.4 m-80 61.32 21.67 12.15 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.097 1.759 . . . . 0.0 115.454 178.094 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -73.21 143.06 47.3 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.559 1.143 . . . . 0.0 110.301 169.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -112.53 143.1 22.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 125.058 1.343 . . . . 0.0 112.931 -178.276 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -130.4 159.91 35.6 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.427 1.891 . . . . 0.0 111.637 -177.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -83.73 -24.1 31.32 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.523 1.129 . . . . 0.0 113.977 -174.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -137.78 154.31 49.58 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.612 1.565 . . . . 0.0 111.478 -174.103 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -59.46 -49.01 79.43 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.788 0.835 . . . . 0.0 112.328 -178.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.1 p-80 -63.61 -25.7 68.35 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.82 0.848 . . . . 0.0 113.281 -178.259 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.7 m -71.36 -43.95 65.95 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.53 0.732 . . . . 0.0 111.531 178.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.8 tp -65.17 -47.41 77.09 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 122.552 0.341 . . . . 0.0 110.808 170.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -62.33 -32.28 73.03 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.346 0.658 . . . . 0.0 112.755 -171.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.69 -37.26 62.69 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.182 0.993 . . . . 0.0 113.061 170.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -61.24 -31.25 71.04 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.616 -0.678 . . . . 0.0 112.188 173.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.7 mt -57.06 -26.07 59.74 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.002 -1.061 . . . . 0.0 113.342 175.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.8 mtt-85 -63.93 -10.45 21.19 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -178.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.2 pt -85.08 -25.38 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 123.798 0.839 . . . . 0.0 112.472 169.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -96.12 -28.14 14.73 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 127.329 2.252 . . . . 0.0 113.266 -177.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.2 t -137.59 167.69 21.17 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.965 1.706 . . . . 0.0 112.166 -178.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -120.22 156.14 31.76 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.362 1.465 . . . . 0.0 111.856 179.321 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -83.23 155.49 23.66 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.978 1.311 . . . . 0.0 112.031 178.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt . . . . . 0 C--O 1.253 1.279 0 C-N-CA 126.621 1.968 . . . . 0.0 112.943 -174.094 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.654 0 N-CA-C 112.038 -0.425 . . . . 0.0 112.038 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.1 t -149.81 146.62 27.26 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.904 1.281 . . . . 0.0 111.934 179.153 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 m -65.87 -16.69 64.06 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.197 0.999 . . . . 0.0 113.009 170.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.56 -11.6 80.29 Favored Glycine 0 CA--C 1.538 1.52 0 C-N-CA 124.918 1.247 . . . . 0.0 114.85 174.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.0 m -78.49 81.97 4.79 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 118.724 1.262 . . . . 0.0 111.132 177.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.7 p -77.1 -8.83 58.16 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 115.246 1.573 . . . . 0.0 115.246 -173.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.06 -167.55 33.78 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 124.869 1.223 . . . . 0.0 113.623 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -65.69 137.8 57.55 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.858 1.263 . . . . 0.0 111.261 179.145 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.9 pp -123.3 169.93 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 126.071 1.748 . . . . 0.0 112.677 -176.064 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -127.55 128.5 45.73 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.498 1.919 . . . . 0.0 109.66 178.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.9 m -110.04 135.44 50.86 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.086 0.955 . . . . 0.0 112.45 -171.465 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.2 t -69.73 125.96 28.29 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.763 1.225 . . . . 0.0 110.919 172.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -77.06 -9.41 58.7 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 176.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -102.85 -33.77 9.23 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.909 1.284 . . . . 0.0 113.697 -173.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.8 p -133.73 2.32 3.43 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 115.08 1.511 . . . . 0.0 115.08 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.5 m120 61.42 22.18 12.63 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 115.677 1.732 . . . . 0.0 115.677 175.205 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -76.29 145.2 39.79 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.125 0.97 . . . . 0.0 109.825 169.071 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -104.03 151.18 6.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 125.022 1.329 . . . . 0.0 113.131 173.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -135.08 159.13 42.5 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 127.657 2.383 . . . . 0.0 110.494 -179.471 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -83.07 -23.94 32.92 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 114.063 1.135 . . . . 0.0 114.063 -175.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -138.08 152.79 49.12 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.478 1.511 . . . . 0.0 111.684 -173.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -58.44 -49.86 75.79 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.966 0.906 . . . . 0.0 112.274 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.3 p-80 -63.67 -25.98 68.46 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.745 0.818 . . . . 0.0 113.168 -178.062 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.5 m -72.47 -43.09 64.2 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.506 0.722 . . . . 0.0 111.651 178.289 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.6 tp -64.59 -46.76 81.33 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 122.729 0.412 . . . . 0.0 110.742 170.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -61.87 -33.43 74.19 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.536 0.734 . . . . 0.0 112.5 -173.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.3 -35.42 66.1 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.409 1.084 . . . . 0.0 113.179 171.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -63.78 -31.96 73.31 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.37 0.668 . . . . 0.0 112.162 173.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.7 mt -56.9 -24.81 54.82 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 120.993 -1.067 . . . . 0.0 113.481 176.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 -62.93 -19.24 64.06 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -179.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.5 pt -78.2 -32.04 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 O-C-N 121.419 -0.801 . . . . 0.0 111.629 170.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -79.71 -29.1 40.6 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.684 1.594 . . . . 0.0 112.139 178.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 44.2 p -78.87 -8.15 58.57 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.001 0.92 . . . . 0.0 112.273 167.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 52.2 t30 57.73 43.06 22.64 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 127.282 2.233 . . . . 0.0 114.086 -177.206 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -111.53 -4.56 14.76 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.759 1.224 . . . . 0.0 114.027 173.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.9 tttm . . . . . 0 C--O 1.251 1.17 0 C-N-CA 127.293 2.237 . . . . 0.0 111.458 -179.336 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.63 0 N-CA-C 111.56 -0.616 . . . . 0.0 111.56 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.1 m -66.76 156.44 35.43 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.479 1.112 . . . . 0.0 113.172 178.052 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.7 t -70.93 160.75 32.28 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.105 0.962 . . . . 0.0 112.641 176.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.98 62.0 2.54 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 125.929 1.728 . . . . 0.0 113.782 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 t -142.04 175.87 9.4 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.229 1.812 . . . . 0.0 111.633 -178.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.1 m -59.61 147.45 37.22 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.213 1.405 . . . . 0.0 112.861 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.73 41.08 1.41 Allowed Glycine 0 CA--C 1.535 1.283 0 C-N-CA 125.684 1.611 . . . . 0.0 115.862 -175.345 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -68.42 145.15 54.37 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.686 1.195 . . . . 0.0 112.027 175.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.6 pp -134.17 156.97 41.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 125.682 1.593 . . . . 0.0 111.538 171.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -132.5 131.46 41.65 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 126.437 1.895 . . . . 0.0 109.938 -177.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.9 m -114.99 135.56 54.1 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.149 0.98 . . . . 0.0 112.379 -171.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.6 t -66.05 128.71 37.16 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.998 1.319 . . . . 0.0 111.106 171.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -79.08 -9.57 59.59 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.461 -0.774 . . . . 0.0 112.878 175.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -103.58 -33.81 8.87 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.927 1.291 . . . . 0.0 113.63 -173.243 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.0 p -135.11 0.15 2.82 Favored 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 115.212 1.56 . . . . 0.0 115.212 177.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.295 7.4 m120 60.69 25.37 15.15 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 115.991 1.849 . . . . 0.0 115.991 177.414 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -73.2 144.06 46.93 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.598 1.159 . . . . 0.0 109.392 167.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -112.71 144.43 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.818 1.247 . . . . 0.0 113.14 -177.368 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -131.92 160.79 34.73 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 127.187 2.195 . . . . 0.0 110.963 -175.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -88.85 -22.71 23.06 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 -174.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -135.69 155.21 50.77 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.578 1.551 . . . . 0.0 110.748 -175.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -63.09 -52.01 64.34 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.843 -0.536 . . . . 0.0 111.963 -175.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -60.47 -26.82 67.07 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.167 0.802 . . . . 0.0 113.167 -178.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 71.9 m -66.34 -45.43 80.24 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.978 0.911 . . . . 0.0 111.873 176.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.2 tp -64.6 -45.32 87.45 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.071 0.549 . . . . 0.0 110.887 170.019 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -59.99 -36.12 76.51 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 118.643 0.656 . . . . 0.0 112.246 -174.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.11 -36.57 74.94 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.477 1.111 . . . . 0.0 112.973 172.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -63.85 -31.16 72.25 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.273 0.629 . . . . 0.0 112.355 174.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.9 mt -58.55 -24.78 61.52 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 120.88 -1.137 . . . . 0.0 113.578 176.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -62.67 -14.24 41.5 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.801 1.24 . . . . 0.0 114.141 -178.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.0 pt -84.21 -24.93 7.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 123.981 0.912 . . . . 0.0 112.657 170.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -95.36 -23.87 16.98 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.975 2.11 . . . . 0.0 113.442 -176.531 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 29.9 p -66.27 147.33 53.48 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.291 1.036 . . . . 0.0 112.988 178.244 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -91.46 64.11 4.97 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.833 1.253 . . . . 0.0 110.575 176.211 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -139.79 146.31 39.28 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.255 1.422 . . . . 0.0 111.709 -174.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.1 ptmm? . . . . . 0 C--O 1.253 1.277 0 C-N-CA 126.341 1.857 . . . . 0.0 112.877 179.211 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.551 0 N-CA-C 111.89 -0.484 . . . . 0.0 111.89 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.9 p -77.15 162.44 27.43 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.792 1.237 . . . . 0.0 113.217 177.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.7 p -78.92 -14.8 59.01 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 178.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.27 168.92 38.4 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 125.151 1.358 . . . . 0.0 113.419 178.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.2 m -70.31 150.16 46.64 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.572 1.149 . . . . 0.0 113.184 -178.104 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 t -150.13 159.27 44.54 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.382 1.473 . . . . 0.0 111.383 175.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.6 140.06 34.42 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 124.198 0.904 . . . . 0.0 113.339 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -90.84 136.04 33.33 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.746 1.218 . . . . 0.0 111.004 -178.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.6 pt -129.72 162.49 37.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 125.863 1.665 . . . . 0.0 112.3 177.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -126.98 132.23 50.86 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.852 2.061 . . . . 0.0 109.379 175.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.1 m -117.27 134.11 55.19 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.168 0.987 . . . . 0.0 111.9 -172.041 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.8 t -67.15 123.65 20.89 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.394 1.478 . . . . 0.0 111.25 173.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -74.35 -8.0 54.78 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 177.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -103.84 -34.23 8.61 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.968 1.307 . . . . 0.0 113.551 -173.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.4 p -134.92 1.52 3.02 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 115.361 1.615 . . . . 0.0 115.361 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.254 42.7 m-80 61.23 22.56 12.88 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 126.038 1.735 . . . . 0.0 115.484 178.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -72.86 143.78 47.68 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.518 1.127 . . . . 0.0 110.029 169.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -115.03 144.25 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 124.888 1.275 . . . . 0.0 113.355 -174.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -133.93 162.32 32.38 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 127.04 2.136 . . . . 0.0 111.355 -175.368 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -90.71 -22.95 20.87 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -174.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -137.88 155.37 49.03 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.86 1.664 . . . . 0.0 110.943 -175.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -61.79 -52.79 62.75 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.154 0.582 . . . . 0.0 112.388 -174.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -60.19 -27.66 67.33 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.716 0.806 . . . . 0.0 113.115 -177.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 64.7 m -66.99 -44.48 80.28 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.0 0.92 . . . . 0.0 111.905 177.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.8 tp -65.25 -45.42 84.66 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.235 0.614 . . . . 0.0 110.819 169.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -58.91 -37.1 75.87 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 118.652 0.66 . . . . 0.0 112.29 -174.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.06 -36.57 75.08 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.228 1.011 . . . . 0.0 112.989 173.211 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -63.65 -31.13 72.2 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.084 0.554 . . . . 0.0 112.251 173.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.9 mt -58.68 -25.79 63.19 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 120.922 -1.111 . . . . 0.0 113.581 177.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 92.2 mtt-85 -60.05 -19.38 52.62 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -178.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 pt -78.99 -23.31 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 123.78 0.832 . . . . 0.0 112.699 173.156 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -98.83 -25.8 14.51 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 127.338 2.255 . . . . 0.0 113.472 -177.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 40.0 p -70.9 -30.63 67.03 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -79.62 152.41 30.04 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.238 1.015 . . . . 0.0 112.561 -177.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -88.44 62.05 6.43 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.614 1.166 . . . . 0.0 112.913 -169.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--O 1.253 1.24 0 C-N-CA 125.907 1.683 . . . . 0.0 112.152 177.453 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.594 0 N-CA-C 111.89 -0.484 . . . . 0.0 111.89 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.6 m -67.74 148.89 50.67 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.516 1.126 . . . . 0.0 113.012 -178.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.1 p -79.02 -13.42 59.79 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.859 1.264 . . . . 0.0 114.41 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.56 -175.85 43.32 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 125.567 1.556 . . . . 0.0 112.879 178.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.9 p -75.61 156.42 34.93 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.724 1.21 . . . . 0.0 113.116 177.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.6 t -89.88 154.48 19.84 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.569 1.148 . . . . 0.0 112.609 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.21 177.13 36.42 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 125.018 1.294 . . . . 0.0 114.456 -177.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.418 ' HE3' ' CZ ' ' A' ' 10' ' ' PHE . 9.4 tmtm? -80.96 134.54 35.72 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.362 1.065 . . . . 0.0 111.213 179.154 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 pp -127.6 168.71 20.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 126.287 1.835 . . . . 0.0 111.582 -179.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.418 ' CZ ' ' HE3' ' A' ' 8' ' ' LYS . 89.4 m-85 -125.14 125.05 43.1 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.033 1.733 . . . . 0.0 109.743 -179.62 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.5 m -109.9 134.06 52.49 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.142 0.977 . . . . 0.0 112.28 -171.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.7 t -68.74 123.27 20.47 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.254 1.422 . . . . 0.0 111.231 172.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -74.16 -8.16 55.17 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 177.428 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -104.06 -34.29 8.48 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.997 1.319 . . . . 0.0 113.619 -173.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.1 p -134.05 2.01 3.31 Favored 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.25 43.6 m-80 61.34 21.74 12.22 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.092 1.757 . . . . 0.0 115.502 177.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -72.89 142.51 47.91 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.636 1.174 . . . . 0.0 110.312 169.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -111.87 144.15 20.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.941 1.297 . . . . 0.0 113.085 -178.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -131.63 161.04 33.66 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.556 1.942 . . . . 0.0 111.69 -177.482 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -84.82 -24.76 28.52 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -175.253 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -135.9 155.28 50.54 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.481 1.512 . . . . 0.0 111.588 -174.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -60.32 -49.64 76.81 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.699 0.8 . . . . 0.0 112.111 -178.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 11.3 p-80 -63.84 -24.93 67.94 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.769 0.828 . . . . 0.0 113.199 -178.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.9 m -70.08 -45.98 65.87 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.714 0.806 . . . . 0.0 111.574 177.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.4 tp -64.57 -46.68 81.7 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 122.867 0.467 . . . . 0.0 110.594 171.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -62.43 -32.24 73.06 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.299 0.64 . . . . 0.0 112.597 -172.04 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.47 -37.95 65.61 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.309 1.044 . . . . 0.0 113.052 170.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -61.81 -31.01 71.21 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.622 -0.674 . . . . 0.0 112.311 174.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.7 mt -57.9 -25.13 60.4 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 120.987 -1.071 . . . . 0.0 113.565 175.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 74.1 mtp85 -62.21 -15.31 45.81 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -177.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.9 pt -82.77 -28.42 8.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 123.82 0.848 . . . . 0.0 112.27 171.198 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -90.82 -23.5 20.57 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.777 2.031 . . . . 0.0 113.207 -177.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 46.6 p -71.61 -16.46 62.28 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.419 1.088 . . . . 0.0 113.81 175.01 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -65.65 137.4 57.3 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.435 1.094 . . . . 0.0 112.436 -179.143 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -148.19 143.11 26.82 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.306 1.442 . . . . 0.0 110.895 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.413 ' HE2' ' HA ' ' A' ' 36' ' ' LYS . 7.9 mmpt? . . . . . 0 C--O 1.252 1.228 0 C-N-CA 126.139 1.776 . . . . 0.0 111.503 178.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.556 0 N-CA-C 111.649 -0.58 . . . . 0.0 111.649 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.6 p -75.3 159.22 31.75 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.642 1.177 . . . . 0.0 113.039 177.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.8 m -67.36 137.34 55.92 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.123 0.969 . . . . 0.0 112.564 -178.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.07 -177.86 40.36 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 124.693 1.14 . . . . 0.0 113.439 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.1 m -69.51 153.69 43.13 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.445 1.098 . . . . 0.0 112.78 178.119 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.5 t -138.95 148.15 43.16 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.296 1.439 . . . . 0.0 110.963 175.369 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.13 22.34 70.65 Favored Glycine 0 N--CA 1.474 1.168 0 C-N-CA 123.872 0.749 . . . . 0.0 114.521 -173.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.08 142.6 49.21 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.327 1.051 . . . . 0.0 113.019 -169.56 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.6 pt -145.33 160.53 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 127.4 2.28 . . . . 0.0 111.438 -178.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -122.03 130.72 53.53 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 126.616 1.966 . . . . 0.0 109.617 176.03 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.8 m -115.78 135.59 53.87 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.193 0.997 . . . . 0.0 112.118 -172.447 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.1 t -65.97 129.28 39.26 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.237 1.415 . . . . 0.0 111.245 172.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -79.53 -9.6 59.65 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.415 -0.803 . . . . 0.0 112.951 175.202 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -103.18 -33.83 9.06 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.853 1.261 . . . . 0.0 113.591 -173.378 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.3 p -135.61 0.08 2.69 Favored 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 177.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.291 7.3 m120 60.25 25.8 15.23 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 115.92 1.822 . . . . 0.0 115.92 178.434 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -72.92 145.14 47.03 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.497 1.119 . . . . 0.0 109.357 168.011 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -116.15 143.32 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 124.745 1.218 . . . . 0.0 113.123 -174.54 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -133.35 160.65 36.72 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 126.711 2.004 . . . . 0.0 111.345 -174.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -89.06 -22.81 22.75 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.371 1.249 . . . . 0.0 114.371 -174.015 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -137.08 155.37 49.73 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 125.806 1.643 . . . . 0.0 111.224 -176.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -60.58 -49.71 76.44 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.341 0.657 . . . . 0.0 112.041 -176.382 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -61.44 -25.26 67.1 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -178.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.1 m -71.15 -44.12 66.17 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.775 0.83 . . . . 0.0 111.896 177.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.4 tp -65.03 -46.13 82.6 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 122.779 0.432 . . . . 0.0 110.922 170.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -62.0 -33.72 74.86 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -173.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.25 -36.15 69.0 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.454 1.101 . . . . 0.0 113.027 171.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -63.36 -31.24 72.34 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.313 0.645 . . . . 0.0 112.294 174.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.0 mt -57.95 -24.6 58.66 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 120.941 -1.099 . . . . 0.0 113.792 176.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -62.17 -14.56 38.7 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.815 1.246 . . . . 0.0 114.226 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.9 pt -84.72 -25.96 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 123.866 0.866 . . . . 0.0 112.756 171.118 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -92.02 -25.83 18.63 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.684 1.994 . . . . 0.0 113.273 -177.158 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.9 p -62.41 130.19 44.08 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.331 1.053 . . . . 0.0 111.736 175.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 51.2 p-10 -137.84 17.12 2.86 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.832 1.253 . . . . 0.0 114.339 -170.314 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -70.33 147.08 50.03 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.861 0.864 . . . . 0.0 112.301 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 C--O 1.253 1.263 0 C-N-CA 125.687 1.595 . . . . 0.0 112.745 -175.436 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.534 0 N-CA-C 112.058 -0.417 . . . . 0.0 112.058 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.6 m -133.8 152.91 52.01 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.362 1.465 . . . . 0.0 112.171 -177.291 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.2 m -136.92 160.36 39.12 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.492 1.517 . . . . 0.0 112.339 -175.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.4 4.25 90.47 Favored Glycine 0 CA--C 1.538 1.481 0 N-CA-C 116.014 1.165 . . . . 0.0 116.014 175.385 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.4 t -76.57 153.35 35.45 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 118.643 1.222 . . . . 0.0 112.004 174.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.5 p -146.83 157.24 43.61 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.056 1.342 . . . . 0.0 112.964 -178.364 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.11 48.76 3.11 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 125.573 1.559 . . . . 0.0 114.558 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.84 140.17 58.84 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.335 1.054 . . . . 0.0 111.411 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.5 pt -129.63 160.65 40.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 126.008 1.723 . . . . 0.0 112.526 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -123.72 137.23 54.74 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.223 2.209 . . . . 0.0 109.328 174.336 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.1 m -119.68 135.7 54.72 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 119.4 1.0 . . . . 0.0 111.787 -174.375 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.4 t -69.93 124.02 22.98 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.168 1.387 . . . . 0.0 111.064 174.012 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -75.09 -8.6 57.01 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 177.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -102.93 -34.1 9.08 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.955 1.302 . . . . 0.0 113.579 -173.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.1 p -133.36 2.01 3.5 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 115.212 1.56 . . . . 0.0 115.212 179.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.25 43.2 m-80 60.95 22.73 12.89 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.891 1.677 . . . . 0.0 115.34 177.602 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -75.83 144.72 41.13 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.382 -0.824 . . . . 0.0 109.902 169.195 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -104.88 150.87 7.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 125.214 1.406 . . . . 0.0 113.288 176.537 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -137.61 162.87 32.64 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 127.773 2.429 . . . . 0.0 111.004 -178.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -90.89 -23.83 20.39 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.336 1.235 . . . . 0.0 114.336 -175.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -136.17 154.48 50.95 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 125.298 1.439 . . . . 0.0 111.568 -174.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -60.57 -50.41 73.64 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.639 0.776 . . . . 0.0 112.017 -178.234 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.9 p-80 -63.14 -25.62 68.44 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.837 0.855 . . . . 0.0 113.192 -178.405 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.6 m -69.89 -45.94 66.54 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.743 0.817 . . . . 0.0 111.679 177.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.7 tp -65.99 -45.56 81.17 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 122.913 0.485 . . . . 0.0 110.726 172.591 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -62.18 -33.25 74.17 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.492 0.717 . . . . 0.0 112.656 -173.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.59 -35.45 65.4 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.985 0.914 . . . . 0.0 113.031 170.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -63.54 -30.59 71.68 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.519 -0.738 . . . . 0.0 112.223 174.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.9 mt -57.53 -24.33 55.41 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 120.94 -1.1 . . . . 0.0 113.419 175.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 68.7 mtp85 -62.06 -13.53 27.23 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 pt -85.72 -25.37 6.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 124.013 0.925 . . . . 0.0 112.745 170.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -94.14 -26.16 16.82 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.814 2.046 . . . . 0.0 113.602 -176.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.0 t -128.97 156.67 43.42 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.226 1.41 . . . . 0.0 112.569 178.39 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -86.02 154.62 21.3 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.841 1.257 . . . . 0.0 113.121 -172.268 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -90.05 154.27 19.93 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.154 1.382 . . . . 0.0 111.709 172.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.3 tttp . . . . . 0 C--O 1.253 1.252 0 C-N-CA 125.663 1.585 . . . . 0.0 111.854 177.976 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.49 0 N-CA-C 111.972 -0.451 . . . . 0.0 111.972 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.9 p -78.46 -25.17 45.8 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -177.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.0 t -153.81 154.48 34.05 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.641 1.577 . . . . 0.0 111.524 177.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.07 -14.04 8.44 Favored Glycine 0 CA--C 1.538 1.505 0 C-N-CA 125.516 1.531 . . . . 0.0 116.433 175.246 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.9 m -60.47 127.16 30.34 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.308 1.554 . . . . 0.0 111.783 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.0 m 56.2 15.75 2.01 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 125.938 1.695 . . . . 0.0 115.27 -172.348 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.41 -155.45 31.91 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 125.699 1.618 . . . . 0.0 113.49 176.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -128.55 140.51 51.76 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.71 1.604 . . . . 0.0 110.883 174.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.3 pt -130.09 158.7 42.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 126.256 1.823 . . . . 0.0 110.772 169.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -125.18 127.38 46.7 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.734 1.614 . . . . 0.0 109.642 176.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.8 m -114.43 135.63 53.89 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.367 1.067 . . . . 0.0 112.272 -172.096 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.9 t -66.62 129.76 40.92 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.072 1.349 . . . . 0.0 111.37 172.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -79.61 -9.98 59.72 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 121.429 -0.794 . . . . 0.0 112.962 175.302 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -103.02 -34.3 8.96 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.905 1.282 . . . . 0.0 113.576 -173.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.1 p -135.32 0.35 2.79 Favored 'General case' 0 CA--C 1.552 1.021 0 N-CA-C 115.289 1.589 . . . . 0.0 115.289 178.325 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.291 7.3 m120 60.25 25.6 15.03 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 116.107 1.892 . . . . 0.0 116.107 177.684 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -72.24 144.23 48.52 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.508 1.123 . . . . 0.0 109.442 168.136 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -116.12 143.13 26.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 124.916 1.287 . . . . 0.0 113.165 -175.517 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -133.7 164.7 26.62 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 126.478 1.911 . . . . 0.0 111.629 -175.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm -81.92 -31.05 31.55 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.398 1.479 . . . . 0.0 114.014 -176.092 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -138.42 157.76 45.59 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.222 1.409 . . . . 0.0 111.918 -171.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -58.12 -50.06 74.82 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.047 0.939 . . . . 0.0 112.194 -178.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.9 p-80 -63.44 -25.77 68.43 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -177.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.5 m -69.91 -45.97 66.41 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.615 0.766 . . . . 0.0 111.774 177.137 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.8 tp -64.98 -46.75 80.16 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.018 0.527 . . . . 0.0 110.642 172.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.5 mm-40 -62.02 -32.94 73.49 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.57 0.748 . . . . 0.0 112.36 -172.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.83 -34.42 66.8 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.673 1.189 . . . . 0.0 113.467 171.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 57.2 t60 -66.24 -32.24 73.54 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.461 0.704 . . . . 0.0 111.893 173.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.0 mt -57.2 -25.82 59.65 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.715 1.006 . . . . 0.0 113.715 177.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 84.2 mtm180 -60.15 -21.84 62.12 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -179.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.0 pt -76.39 -26.92 17.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 CA-C-N 118.898 0.772 . . . . 0.0 112.068 173.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -88.96 -27.86 20.64 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.492 1.917 . . . . 0.0 112.689 179.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.9 p -77.38 -31.16 54.08 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-N 118.969 0.804 . . . . 0.0 113.161 173.551 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -73.16 144.47 46.86 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.524 1.13 . . . . 0.0 113.225 -175.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -137.81 157.8 45.68 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.093 1.757 . . . . 0.0 111.238 174.02 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 57.3 tttm . . . . . 0 C--O 1.252 1.226 0 C-N-CA 127.066 2.147 . . . . 0.0 113.441 -178.816 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.587 0 N-CA-C 111.976 -0.45 . . . . 0.0 111.976 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.5 p -79.69 170.57 16.34 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.742 1.217 . . . . 0.0 113.022 177.039 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 m -74.26 -9.73 58.9 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 -179.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.95 157.57 53.07 Favored Glycine 0 CA--C 1.538 1.515 0 C-N-CA 124.523 1.058 . . . . 0.0 113.967 179.065 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.2 p -149.06 161.16 42.51 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.117 1.367 . . . . 0.0 112.699 179.364 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.1 p -126.04 8.11 7.33 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.726 1.61 . . . . 0.0 114.314 -175.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.62 152.8 52.78 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 124.542 1.068 . . . . 0.0 114.514 -177.171 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -74.35 139.47 44.14 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.056 1.342 . . . . 0.0 110.95 178.225 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 pp -120.25 165.39 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 126.083 1.753 . . . . 0.0 112.471 -176.087 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -124.27 134.87 53.1 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 126.23 1.812 . . . . 0.0 110.606 178.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.0 m -116.85 136.27 53.08 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.384 1.073 . . . . 0.0 112.339 -171.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.1 t -68.06 125.72 27.24 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.793 1.237 . . . . 0.0 111.536 172.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -77.35 -8.46 57.71 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.299 -0.876 . . . . 0.0 113.107 175.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -104.76 -31.98 9.07 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.072 1.349 . . . . 0.0 113.899 -173.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.3 p -137.54 0.12 2.23 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 115.069 1.507 . . . . 0.0 115.069 178.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.315 0.5 OUTLIER 62.48 24.25 14.43 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 116.78 2.141 . . . . 0.0 116.78 174.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -73.98 143.67 45.52 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.928 1.291 . . . . 0.0 109.6 168.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -109.52 146.43 14.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.776 1.23 . . . . 0.0 112.883 179.318 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -132.85 156.21 47.59 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.812 2.045 . . . . 0.0 111.257 -175.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -80.43 -22.91 40.72 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.814 1.246 . . . . 0.0 113.953 -175.415 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -139.2 154.16 47.99 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 125.777 1.631 . . . . 0.0 111.221 -174.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -59.44 -50.08 75.34 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.864 0.866 . . . . 0.0 112.047 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -61.63 -27.15 68.46 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -177.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 57.8 m -69.56 -44.84 70.06 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.753 0.821 . . . . 0.0 111.958 176.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.7 tp -63.54 -46.9 83.86 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 122.442 0.297 . . . . 0.0 110.814 171.041 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -61.74 -33.73 74.57 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -172.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.47 -36.56 65.85 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.383 1.073 . . . . 0.0 113.009 171.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -62.26 -31.14 71.68 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.363 0.665 . . . . 0.0 112.238 173.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 48.7 mt -57.54 -25.33 59.73 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 121.019 -1.051 . . . . 0.0 113.458 175.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -62.0 -15.95 47.89 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -179.262 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 pt -82.5 -26.96 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 123.636 0.774 . . . . 0.0 112.495 171.156 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -91.73 -24.15 19.54 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.617 1.967 . . . . 0.0 113.189 -177.473 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 47.2 p -70.03 -26.1 63.88 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.976 0.91 . . . . 0.0 113.035 173.083 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -95.64 153.21 17.84 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.711 1.604 . . . . 0.0 112.065 178.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -73.98 155.31 38.75 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 -178.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.4 tmtt? . . . . . 0 C--O 1.253 1.238 0 C-N-CA 125.836 1.654 . . . . 0.0 110.491 179.941 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.588 0 N-CA-C 111.839 -0.504 . . . . 0.0 111.839 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.3 m -78.68 148.36 33.16 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.966 0.906 . . . . 0.0 112.299 176.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.8 m -133.89 137.65 45.09 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.279 1.432 . . . . 0.0 111.059 178.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.48 -7.38 8.7 Favored Glycine 0 CA--C 1.541 1.662 0 C-N-CA 124.989 1.281 . . . . 0.0 116.103 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.1 m -144.52 152.41 40.53 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.64 1.976 . . . . 0.0 111.167 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.1 m -83.29 16.28 2.55 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 125.314 1.446 . . . . 0.0 114.791 -174.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.74 -174.49 55.2 Favored Glycine 0 CA--C 1.532 1.125 0 C-N-CA 124.753 1.168 . . . . 0.0 114.289 -174.136 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -134.73 147.32 50.03 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.067 1.747 . . . . 0.0 110.829 176.192 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.4 pt -130.36 145.48 35.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 124.712 1.205 . . . . 0.0 112.338 169.113 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -129.3 123.7 32.49 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.97 2.108 . . . . 0.0 109.028 173.346 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.6 m -109.51 134.68 51.6 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.908 0.883 . . . . 0.0 112.639 -170.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.3 t -67.03 129.61 40.44 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.045 1.338 . . . . 0.0 111.119 172.059 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -79.82 -10.24 59.76 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.364 -0.835 . . . . 0.0 112.89 175.29 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -102.2 -34.23 9.34 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.902 1.281 . . . . 0.0 113.544 -173.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.1 p -134.36 0.35 3.06 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.294 7.7 m120 60.03 25.39 14.63 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 115.911 1.819 . . . . 0.0 115.911 177.558 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -73.68 143.83 46.06 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.707 1.203 . . . . 0.0 109.489 168.188 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -111.83 142.47 24.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 124.77 1.228 . . . . 0.0 112.729 -179.398 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -128.98 162.6 27.22 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 126.642 1.977 . . . . 0.0 110.993 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm -77.11 -31.94 56.2 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.817 1.247 . . . . 0.0 113.919 -175.094 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -139.19 160.48 39.71 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.174 1.39 . . . . 0.0 111.906 -170.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -59.15 -52.14 66.99 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.944 0.898 . . . . 0.0 112.444 -176.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 19.1 p80 -62.14 -28.38 69.6 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -177.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.1 m -66.18 -46.52 77.04 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.736 0.814 . . . . 0.0 111.906 177.334 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.0 tp -64.89 -46.0 83.61 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.03 0.532 . . . . 0.0 110.837 172.098 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -62.13 -32.97 73.62 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.409 0.683 . . . . 0.0 112.509 -173.209 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.44 -36.32 65.89 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.362 1.065 . . . . 0.0 113.066 171.161 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 61.4 t60 -62.37 -31.68 72.37 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.568 -0.708 . . . . 0.0 112.283 173.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.3 mt -57.33 -24.83 57.58 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 121.04 -1.038 . . . . 0.0 113.508 176.178 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.8 mtp85 -61.4 -15.75 39.86 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.0 pt -83.01 -26.09 8.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 123.585 0.754 . . . . 0.0 112.643 171.346 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -91.76 -22.64 20.07 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.718 2.007 . . . . 0.0 113.131 -178.067 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 47.5 p -73.78 -12.54 60.73 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.642 1.177 . . . . 0.0 114.169 175.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -128.86 153.35 47.54 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.644 1.578 . . . . 0.0 112.359 -174.153 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -142.11 142.84 32.81 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.321 1.448 . . . . 0.0 110.807 175.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.8 tttm . . . . . 0 C--O 1.253 1.269 0 C-N-CA 125.938 1.695 . . . . 0.0 111.468 -179.762 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.605 0 N-CA-C 111.947 -0.461 . . . . 0.0 111.947 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.7 t -147.45 151.76 36.96 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.038 1.335 . . . . 0.0 111.764 177.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.2 m -73.26 145.73 45.93 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.763 1.225 . . . . 0.0 113.051 -176.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.39 161.01 35.28 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 123.78 0.705 . . . . 0.0 113.019 171.031 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.9 p 60.11 -20.9 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 128.296 2.639 . . . . 0.0 117.582 -172.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.0 m -78.3 56.72 1.76 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.981 1.712 . . . . 0.0 112.313 179.043 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.32 -13.01 23.45 Favored Glycine 0 CA--C 1.539 1.584 0 C-N-CA 125.657 1.598 . . . . 0.0 114.494 -170.154 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.4 tptt -81.94 135.37 35.39 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.71 1.604 . . . . 0.0 111.35 175.09 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.9 pt -128.88 160.24 39.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 126.493 1.917 . . . . 0.0 111.275 170.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -127.17 134.35 50.17 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 126.056 1.743 . . . . 0.0 109.76 176.36 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.5 m -118.62 136.47 53.87 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.086 0.954 . . . . 0.0 111.741 -172.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.3 t -66.46 128.46 36.28 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.747 1.219 . . . . 0.0 110.678 171.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -75.55 -18.41 59.77 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 121.187 -0.946 . . . . 0.0 111.364 175.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -100.75 -32.77 10.55 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.93 1.292 . . . . 0.0 114.205 -169.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.3 p -133.5 0.21 3.29 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 115.087 1.514 . . . . 0.0 115.087 176.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.303 7.4 m120 61.03 25.77 15.78 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 116.033 1.864 . . . . 0.0 116.033 175.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -74.01 144.94 44.93 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.701 0.8 . . . . 0.0 108.893 167.124 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -105.53 151.19 7.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 124.99 1.316 . . . . 0.0 113.155 176.257 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -137.95 165.67 25.96 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 127.82 2.448 . . . . 0.0 110.76 -178.064 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -88.13 -30.46 19.81 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.35 1.46 . . . . 0.0 114.027 -176.16 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -135.8 152.55 51.2 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 125.613 1.565 . . . . 0.0 111.402 -173.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -59.79 -50.86 72.17 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.529 0.732 . . . . 0.0 112.035 -176.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -61.87 -25.02 67.29 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -177.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.6 m -71.7 -43.78 65.34 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.077 0.551 . . . . 0.0 111.865 176.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.2 tp -64.21 -44.07 93.06 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.139 0.576 . . . . 0.0 110.885 170.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -58.86 -37.76 77.24 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.315 0.646 . . . . 0.0 112.203 -175.416 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.08 -35.31 74.1 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.217 1.007 . . . . 0.0 112.95 173.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -65.38 -30.47 71.29 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.208 0.603 . . . . 0.0 112.451 174.029 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 46.1 mt -58.98 -24.2 62.47 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 120.728 -1.232 . . . . 0.0 113.569 176.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -62.57 -13.52 32.05 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.183 1.393 . . . . 0.0 114.14 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.5 pt -86.01 -26.12 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.016 0.926 . . . . 0.0 112.609 170.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -93.79 -33.33 13.62 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.725 2.01 . . . . 0.0 113.166 -176.376 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 t -114.61 127.73 55.94 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.003 1.321 . . . . 0.0 110.863 170.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 40.7 t-20 -156.93 168.76 26.51 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.669 1.588 . . . . 0.0 110.573 -173.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -77.18 -1.97 32.1 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.714 1.376 . . . . 0.0 114.714 177.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.6 ttpp . . . . . 0 C--O 1.254 1.334 0 C-N-CA 126.936 2.094 . . . . 0.0 111.173 178.164 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.1 pp . . . . . 0 N--CA 1.47 0.568 0 CA-C-O 122.043 0.925 . . . . 0.0 112.795 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -127.84 123.9 36.25 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.638 1.975 . . . . 0.0 109.738 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.4 m -110.15 134.52 52.11 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.15 0.98 . . . . 0.0 112.468 -171.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.9 t -69.43 124.04 22.83 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.242 1.417 . . . . 0.0 111.484 172.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -74.46 -8.18 55.46 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 177.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -104.78 -34.64 8.03 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.874 1.269 . . . . 0.0 113.543 -173.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.8 p -133.09 1.98 3.58 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 115.249 1.574 . . . . 0.0 115.249 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 60.93 21.76 11.99 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 126.06 1.744 . . . . 0.0 115.352 178.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -71.98 141.46 49.38 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.465 1.106 . . . . 0.0 110.233 169.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -111.74 143.07 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 125.023 1.329 . . . . 0.0 112.782 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -130.48 159.26 37.6 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 126.416 1.887 . . . . 0.0 111.585 -178.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -84.64 -22.0 30.06 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.639 1.176 . . . . 0.0 114.011 -176.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -136.97 147.03 46.06 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.555 1.542 . . . . 0.0 111.702 -175.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -58.71 -47.35 84.86 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.343 1.057 . . . . 0.0 112.811 -175.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 15.1 p-80 -62.02 -25.22 67.52 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.674 0.79 . . . . 0.0 113.009 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.0 t -70.73 -43.95 67.86 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.722 0.809 . . . . 0.0 110.785 177.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 54.5 tp -65.31 -50.66 64.82 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.48 0.712 . . . . 0.0 111.541 171.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -58.91 -34.2 71.42 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.483 0.713 . . . . 0.0 112.581 -173.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.93 -34.01 64.18 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.414 1.086 . . . . 0.0 113.581 173.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -65.76 -31.09 71.88 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.069 0.947 . . . . 0.0 112.036 173.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 50.5 mt -57.71 -26.56 61.94 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 120.993 -1.067 . . . . 0.0 113.545 177.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.8 mtm180 -62.19 -14.07 34.04 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 pt -83.08 -25.19 8.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 123.933 0.893 . . . . 0.0 112.555 171.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 . . . . . 0 CA--C 1.542 0.662 0 C-N-CA 127.332 2.253 . . . . 0.0 113.492 -177.097 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.6 pp . . . . . 0 N--CA 1.472 0.627 0 CA-C-O 121.28 0.562 . . . . 0.0 111.883 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -132.46 134.14 44.71 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.825 2.05 . . . . 0.0 109.658 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.3 m -116.45 134.39 54.92 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.184 0.993 . . . . 0.0 112.256 -172.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.5 t -68.56 123.93 22.19 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.385 1.474 . . . . 0.0 111.354 173.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -74.49 -8.61 56.88 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 177.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -102.83 -34.23 9.07 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.979 1.312 . . . . 0.0 113.54 -174.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.8 p -134.1 1.48 3.25 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 115.257 1.577 . . . . 0.0 115.257 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 60.53 22.6 12.31 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.055 1.742 . . . . 0.0 115.198 179.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -73.1 142.28 47.54 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.781 1.232 . . . . 0.0 110.068 169.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -111.24 145.1 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 124.754 1.221 . . . . 0.0 113.211 -178.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -132.55 164.2 27.15 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 127.491 2.316 . . . . 0.0 110.934 -177.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -90.46 -22.64 21.29 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.231 1.196 . . . . 0.0 114.231 -175.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -136.38 155.12 50.48 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.258 1.423 . . . . 0.0 111.435 -175.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -59.8 -49.49 77.5 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.583 0.753 . . . . 0.0 111.941 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -63.96 -25.07 67.97 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -178.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.9 m -70.07 -46.16 65.53 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.725 0.81 . . . . 0.0 111.55 177.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.4 tp -65.38 -45.81 82.62 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.182 0.593 . . . . 0.0 110.852 172.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 67.1 mm-40 -61.82 -32.69 73.02 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.42 0.688 . . . . 0.0 112.469 -173.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.99 -35.9 66.95 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.443 1.097 . . . . 0.0 113.16 170.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -64.01 -30.83 71.88 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.663 -0.648 . . . . 0.0 112.309 174.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.5 mt -58.7 -25.66 63.1 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 120.957 -1.089 . . . . 0.0 113.726 176.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -57.26 -23.55 48.99 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.746 1.218 . . . . 0.0 113.695 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 pt -79.87 -28.92 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 123.867 0.867 . . . . 0.0 112.472 175.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 . . . . . 0 CA--C 1.537 0.447 0 C-N-CA 126.035 1.734 . . . . 0.0 113.063 -174.993 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 pp . . . . . 0 CA--C 1.537 0.463 0 CA-C-O 121.194 0.521 . . . . 0.0 111.451 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -132.09 130.52 41.33 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 126.443 1.897 . . . . 0.0 109.888 -177.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.1 m -112.64 135.67 53.11 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.946 0.899 . . . . 0.0 112.766 -170.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.1 t -66.52 129.36 39.58 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.066 1.346 . . . . 0.0 111.293 171.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -79.63 -10.06 59.73 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.523 -0.736 . . . . 0.0 112.845 175.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -103.13 -33.84 9.08 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.959 1.304 . . . . 0.0 113.705 -173.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.2 p -134.79 0.07 2.9 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 115.181 1.549 . . . . 0.0 115.181 177.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.294 7.4 m120 60.38 25.1 14.62 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 116.029 1.863 . . . . 0.0 116.029 177.383 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -73.17 144.28 46.91 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.68 1.192 . . . . 0.0 109.383 168.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -112.19 143.71 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 124.741 1.216 . . . . 0.0 113.09 -178.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -130.13 160.83 32.59 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 126.993 2.117 . . . . 0.0 111.274 -175.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -87.69 -21.87 24.99 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 -174.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -138.32 153.25 49.0 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 125.645 1.578 . . . . 0.0 110.893 -176.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -60.15 -49.02 79.27 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.265 0.626 . . . . 0.0 112.076 -177.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -62.06 -24.76 67.29 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.499 0.925 . . . . 0.0 113.499 -178.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 63.2 m -71.95 -44.05 64.2 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.592 0.757 . . . . 0.0 111.719 177.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 45.1 tp -63.51 -46.19 87.21 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 122.604 0.362 . . . . 0.0 110.857 170.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -62.14 -33.92 75.4 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -173.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.32 -36.22 68.83 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.352 1.061 . . . . 0.0 113.022 171.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -63.24 -31.14 72.22 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.626 -0.671 . . . . 0.0 112.351 174.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 45.1 mt -57.52 -25.4 59.78 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 120.951 -1.093 . . . . 0.0 113.556 176.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -62.55 -12.98 25.88 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.801 1.24 . . . . 0.0 114.301 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 pt -85.34 -25.76 6.69 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 123.927 0.891 . . . . 0.0 112.715 170.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 . . . . . 0 CA--C 1.542 0.655 0 C-N-CA 126.827 2.051 . . . . 0.0 113.499 -176.014 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.3 pt . . . . . 0 N--CA 1.47 0.548 0 CA-C-O 121.323 0.582 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -124.91 132.37 53.31 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 126.865 2.066 . . . . 0.0 109.154 177.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.4 m -117.42 135.79 53.64 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.108 0.963 . . . . 0.0 111.951 -172.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.5 t -66.06 129.5 40.02 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.096 1.359 . . . . 0.0 111.274 172.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -79.47 -10.17 59.75 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.404 -0.81 . . . . 0.0 112.925 175.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -102.7 -33.8 9.28 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.895 1.278 . . . . 0.0 113.584 -173.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.3 p -135.84 0.04 2.63 Favored 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 115.162 1.541 . . . . 0.0 115.162 178.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.292 7.2 m120 60.51 25.73 15.37 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 115.953 1.834 . . . . 0.0 115.953 177.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -73.01 144.75 47.07 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.533 1.133 . . . . 0.0 109.323 168.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -115.16 144.34 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 124.735 1.214 . . . . 0.0 113.249 -175.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -134.29 160.73 37.01 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.976 2.11 . . . . 0.0 111.221 -174.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -88.95 -23.2 22.74 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 -175.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -135.24 153.18 52.01 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.619 1.568 . . . . 0.0 111.414 -173.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -60.11 -47.88 84.05 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.355 0.662 . . . . 0.0 112.072 -177.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 19.6 p-80 -63.48 -25.45 68.27 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.264 0.838 . . . . 0.0 113.264 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.4 m -72.14 -43.23 64.99 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.508 0.723 . . . . 0.0 111.593 178.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.8 tp -65.64 -46.74 78.04 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 122.656 0.383 . . . . 0.0 110.925 170.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 57.9 mm-40 -62.21 -32.64 73.33 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.352 0.661 . . . . 0.0 112.546 -173.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.72 -36.77 67.87 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.381 1.073 . . . . 0.0 113.155 170.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.8 t60 -62.87 -31.52 72.57 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.344 0.657 . . . . 0.0 112.281 174.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.3 mt -57.83 -24.21 56.36 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 120.928 -1.107 . . . . 0.0 113.69 176.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -62.62 -13.93 37.36 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.876 1.27 . . . . 0.0 114.18 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.0 pt -85.0 -25.56 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 123.9 0.88 . . . . 0.0 112.775 170.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 . . . . . 0 CA--C 1.543 0.71 0 C-N-CA 126.566 1.947 . . . . 0.0 113.01 -178.337 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.1 pp . . . . . 0 N--CA 1.469 0.494 0 CA-C-O 121.329 0.585 . . . . 0.0 111.551 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -123.28 126.07 46.22 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.748 1.619 . . . . 0.0 110.107 -177.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.3 m -110.3 134.12 52.58 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.112 0.965 . . . . 0.0 112.508 -171.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.0 t -69.3 123.9 22.41 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.195 1.398 . . . . 0.0 111.349 172.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -74.73 -8.48 56.52 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 177.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -102.78 -34.14 9.12 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.875 1.27 . . . . 0.0 113.515 -174.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.9 p -134.36 1.92 3.22 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.251 44.0 m-80 61.2 21.72 12.14 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 126.037 1.735 . . . . 0.0 115.485 177.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -73.86 143.38 45.88 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.635 1.174 . . . . 0.0 110.333 169.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -111.81 144.33 19.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 125.065 1.346 . . . . 0.0 113.107 -178.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -131.06 158.27 40.83 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 126.628 1.971 . . . . 0.0 111.582 -176.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -83.55 -24.03 31.77 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.669 1.188 . . . . 0.0 114.095 -174.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -137.8 154.36 49.56 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 125.841 1.657 . . . . 0.0 111.185 -175.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -60.03 -50.28 74.35 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.557 0.743 . . . . 0.0 112.092 -177.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 -61.78 -25.39 67.44 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -178.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.4 m -71.09 -44.06 66.44 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.581 0.752 . . . . 0.0 111.87 177.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.6 tp -63.88 -47.22 81.52 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 122.541 0.336 . . . . 0.0 110.651 170.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -62.35 -33.11 74.07 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -172.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.97 -37.88 66.91 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.61 1.164 . . . . 0.0 113.084 171.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -61.59 -32.2 72.29 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.318 0.647 . . . . 0.0 112.259 174.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.0 mt -56.4 -26.34 52.9 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 121.093 -1.005 . . . . 0.0 113.65 176.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -61.56 -20.04 62.83 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 -177.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.3 pt -77.96 -25.49 14.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 118.925 0.784 . . . . 0.0 112.514 172.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 . . . . . 0 CA--C 1.544 0.715 0 C-N-CA 126.876 2.07 . . . . 0.0 112.569 -179.668 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.8 pt . . . . . 0 N--CA 1.473 0.685 0 CA-C-O 121.286 0.565 . . . . 0.0 111.626 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -130.01 130.38 44.91 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 126.972 2.109 . . . . 0.0 109.392 176.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.9 m -114.67 133.78 55.6 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.27 1.028 . . . . 0.0 111.867 -172.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.4 t -67.85 123.6 21.02 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.209 1.404 . . . . 0.0 111.259 173.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -74.34 -8.37 56.01 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 177.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -103.46 -34.32 8.75 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.96 1.304 . . . . 0.0 113.568 -173.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.3 p -134.15 1.67 3.25 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 115.298 1.592 . . . . 0.0 115.298 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.25 42.8 m-80 60.86 22.58 12.66 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 126.03 1.732 . . . . 0.0 115.318 178.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -73.53 142.51 46.69 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.487 1.115 . . . . 0.0 110.091 169.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -111.88 144.1 20.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.792 1.237 . . . . 0.0 113.066 -178.03 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -131.73 162.66 29.95 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 127.378 2.271 . . . . 0.0 110.353 -178.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -87.81 -25.18 23.48 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -176.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -134.76 157.87 45.63 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.331 1.452 . . . . 0.0 111.577 -173.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -61.44 -52.45 64.51 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.416 0.686 . . . . 0.0 112.168 -176.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 19.8 p80 -60.93 -29.13 69.43 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.553 0.741 . . . . 0.0 112.945 -177.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.9 m -65.48 -45.95 81.64 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.12 0.968 . . . . 0.0 112.105 178.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.3 tp -66.94 -45.99 76.09 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.258 0.623 . . . . 0.0 110.817 171.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -60.79 -34.3 74.3 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.453 0.701 . . . . 0.0 112.276 -173.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.61 -33.42 68.97 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.737 1.215 . . . . 0.0 113.499 171.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -67.94 -31.04 70.51 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.448 0.699 . . . . 0.0 112.03 173.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.8 mt -58.24 -25.11 61.32 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 120.924 -1.11 . . . . 0.0 113.603 177.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 84.6 mtm180 -60.02 -16.34 30.1 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.814 1.246 . . . . 0.0 114.13 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 pt -83.8 -24.99 7.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 123.825 0.85 . . . . 0.0 112.704 172.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 . . . . . 0 CA--C 1.544 0.731 0 C-N-CA 126.968 2.107 . . . . 0.0 113.352 -177.352 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.1 pt . . . . . 0 N--CA 1.471 0.623 0 CA-C-O 121.272 0.558 . . . . 0.0 111.894 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -128.35 130.96 48.53 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.942 2.097 . . . . 0.0 109.408 176.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.1 m -115.79 134.68 54.76 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.278 1.031 . . . . 0.0 112.074 -171.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.4 t -67.48 126.86 30.62 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.424 1.49 . . . . 0.0 111.21 173.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -77.12 -9.64 58.87 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 176.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -102.23 -33.72 9.52 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.826 1.25 . . . . 0.0 113.654 -173.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.9 p -135.58 1.51 2.85 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 115.268 1.581 . . . . 0.0 115.268 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.4 m120 60.94 23.18 13.31 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.007 1.723 . . . . 0.0 115.597 178.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -72.7 143.54 48.02 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.848 1.259 . . . . 0.0 109.93 169.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -114.34 143.97 22.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 124.923 1.289 . . . . 0.0 113.167 -176.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -133.53 163.49 29.27 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 127.029 2.132 . . . . 0.0 111.184 -176.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -90.12 -22.69 21.64 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 -175.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -135.93 155.84 49.67 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.208 1.403 . . . . 0.0 111.453 -174.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -60.02 -49.77 76.36 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.628 0.771 . . . . 0.0 112.013 -179.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 11.6 p-80 -63.6 -25.51 68.26 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 -178.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.8 m -69.5 -46.18 67.18 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.772 0.829 . . . . 0.0 111.599 177.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.9 tp -65.32 -46.38 80.54 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.015 0.526 . . . . 0.0 110.801 172.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -62.42 -32.36 73.2 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.367 0.667 . . . . 0.0 112.58 -172.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.83 -36.87 67.59 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.399 1.08 . . . . 0.0 113.12 170.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -63.27 -31.22 72.32 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 121.613 -0.679 . . . . 0.0 112.314 174.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.9 mt -57.77 -24.53 57.62 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 120.859 -1.151 . . . . 0.0 113.736 176.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -62.96 -14.69 50.5 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.731 1.212 . . . . 0.0 114.067 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.9 pt -83.66 -26.14 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 123.881 0.873 . . . . 0.0 112.696 170.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 . . . . . 0 CA--C 1.543 0.687 0 C-N-CA 126.587 1.955 . . . . 0.0 113.091 -178.135 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.3 pp . . . . . 0 CA--C 1.537 0.452 0 CA-C-O 121.714 0.768 . . . . 0.0 112.357 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -125.4 125.74 43.88 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.678 1.991 . . . . 0.0 109.655 -178.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.5 m -109.03 134.45 51.65 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.03 0.932 . . . . 0.0 112.551 -171.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.5 t -67.85 126.32 29.05 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.238 1.415 . . . . 0.0 111.189 171.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -76.73 -9.36 58.62 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 176.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -103.12 -33.83 9.08 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.822 1.249 . . . . 0.0 113.747 -173.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.6 p -134.75 1.64 3.08 Favored 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.252 15.4 m120 61.39 22.17 12.62 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.077 1.751 . . . . 0.0 115.678 177.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -73.43 143.77 46.6 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.718 1.207 . . . . 0.0 110.149 169.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -112.45 143.03 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 125.043 1.337 . . . . 0.0 112.937 -178.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -130.45 159.62 36.5 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 126.582 1.953 . . . . 0.0 111.632 -176.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -86.04 -21.86 27.52 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -174.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -136.36 154.83 50.72 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.585 1.554 . . . . 0.0 111.335 -176.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -60.61 -48.93 79.6 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.458 0.703 . . . . 0.0 112.031 -178.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 11.0 p-80 -63.97 -24.72 67.83 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 74.2 m -70.24 -45.73 65.87 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.611 0.765 . . . . 0.0 111.6 177.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.3 tp -64.35 -46.62 82.65 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 122.727 0.411 . . . . 0.0 110.717 171.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -62.7 -32.35 73.43 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.346 0.659 . . . . 0.0 112.625 -172.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.34 -36.92 66.25 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.266 1.026 . . . . 0.0 113.128 170.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -62.78 -31.03 71.92 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.594 -0.691 . . . . 0.0 112.349 174.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.8 mt -57.65 -25.0 59.53 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 120.919 -1.113 . . . . 0.0 113.544 176.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -64.08 -11.87 33.82 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.844 1.258 . . . . 0.0 114.378 -179.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 pt -85.2 -26.68 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 123.928 0.891 . . . . 0.0 112.454 169.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 . . . . . 0 CA--C 1.544 0.718 0 C-N-CA 126.875 2.07 . . . . 0.0 113.126 -178.196 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 pp . . . . . 0 CA--C 1.538 0.5 0 CA-C-O 121.179 0.514 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -130.19 127.98 40.79 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 125.997 1.719 . . . . 0.0 109.808 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.7 m -108.94 134.83 51.08 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.028 0.931 . . . . 0.0 112.493 -171.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.9 t -69.91 123.21 20.93 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.96 1.304 . . . . 0.0 111.061 172.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -74.95 -8.21 55.84 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 177.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -103.59 -34.12 8.76 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.976 1.31 . . . . 0.0 113.625 -173.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.5 p -132.92 2.56 3.68 Favored 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 61.15 21.89 12.26 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 126.122 1.769 . . . . 0.0 115.485 176.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -76.47 144.59 39.76 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.987 0.915 . . . . 0.0 110.047 169.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.1 m -103.6 151.34 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 124.967 1.307 . . . . 0.0 113.169 173.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -134.43 159.4 41.2 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 127.657 2.383 . . . . 0.0 110.586 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -83.46 -26.19 30.5 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -174.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -137.5 153.23 50.07 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.579 1.552 . . . . 0.0 111.112 -174.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -60.25 -50.21 74.54 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.354 0.662 . . . . 0.0 112.123 -176.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -61.54 -24.97 67.0 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 -178.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.8 m -72.31 -43.83 63.59 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.583 0.753 . . . . 0.0 111.865 177.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.1 tp -64.12 -45.86 86.74 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 122.642 0.377 . . . . 0.0 110.726 170.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -61.48 -34.15 74.97 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.267 0.627 . . . . 0.0 112.527 -173.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.17 -36.1 66.54 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.19 0.996 . . . . 0.0 112.991 171.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -62.95 -30.75 71.81 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.574 -0.703 . . . . 0.0 112.31 173.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 45.6 mt -57.72 -24.81 58.76 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 120.958 -1.089 . . . . 0.0 113.425 175.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.4 mtp85 -61.74 -15.59 42.24 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.6 pt -83.07 -30.6 8.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 123.592 0.757 . . . . 0.0 111.971 170.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 . . . . . 0 CA--C 1.541 0.624 0 C-N-CA 126.317 1.847 . . . . 0.0 112.993 -178.277 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.1 pp . . . . . 0 CA--C 1.537 0.466 0 CA-C-O 121.406 0.622 . . . . 0.0 111.299 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -117.99 122.45 43.26 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.876 1.67 . . . . 0.0 109.783 -179.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.1 m -107.5 133.97 51.21 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.081 0.952 . . . . 0.0 112.468 -172.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.4 t -68.95 123.62 21.5 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.323 1.449 . . . . 0.0 111.322 172.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -74.43 -8.2 55.5 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 177.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -103.6 -34.42 8.65 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.985 1.314 . . . . 0.0 113.551 -173.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.8 p -133.98 1.83 3.31 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 115.354 1.613 . . . . 0.0 115.354 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.25 43.4 m-80 61.32 21.67 12.15 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.097 1.759 . . . . 0.0 115.454 178.094 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -73.21 143.06 47.3 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.559 1.143 . . . . 0.0 110.301 169.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -112.53 143.1 22.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 125.058 1.343 . . . . 0.0 112.931 -178.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -130.4 159.91 35.6 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.427 1.891 . . . . 0.0 111.637 -177.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -83.73 -24.1 31.32 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.523 1.129 . . . . 0.0 113.977 -174.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -137.78 154.31 49.58 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.612 1.565 . . . . 0.0 111.478 -174.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -59.46 -49.01 79.43 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.788 0.835 . . . . 0.0 112.328 -178.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.1 p-80 -63.61 -25.7 68.35 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.82 0.848 . . . . 0.0 113.281 -178.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.7 m -71.36 -43.95 65.95 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.53 0.732 . . . . 0.0 111.531 178.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.8 tp -65.17 -47.41 77.09 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 122.552 0.341 . . . . 0.0 110.808 170.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -62.33 -32.28 73.03 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.346 0.658 . . . . 0.0 112.755 -171.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.69 -37.26 62.69 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.182 0.993 . . . . 0.0 113.061 170.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -61.24 -31.25 71.04 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.616 -0.678 . . . . 0.0 112.188 173.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.7 mt -57.06 -26.07 59.74 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.002 -1.061 . . . . 0.0 113.342 175.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.8 mtt-85 -63.93 -10.45 21.19 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -178.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.2 pt -85.08 -25.38 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 123.798 0.839 . . . . 0.0 112.472 169.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 . . . . . 0 CA--C 1.544 0.747 0 C-N-CA 127.329 2.252 . . . . 0.0 113.266 -177.609 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.9 pp . . . . . 0 N--CA 1.47 0.542 0 CA-C-O 121.907 0.861 . . . . 0.0 112.677 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -127.55 128.5 45.73 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.498 1.919 . . . . 0.0 109.66 178.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.9 m -110.04 135.44 50.86 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.086 0.955 . . . . 0.0 112.45 -171.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.2 t -69.73 125.96 28.29 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.763 1.225 . . . . 0.0 110.919 172.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -77.06 -9.41 58.7 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 176.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -102.85 -33.77 9.23 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.909 1.284 . . . . 0.0 113.697 -173.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.8 p -133.73 2.32 3.43 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 115.08 1.511 . . . . 0.0 115.08 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.5 m120 61.42 22.18 12.63 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 115.677 1.732 . . . . 0.0 115.677 175.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -76.29 145.2 39.79 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.125 0.97 . . . . 0.0 109.825 169.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -104.03 151.18 6.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 125.022 1.329 . . . . 0.0 113.131 173.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -135.08 159.13 42.5 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 127.657 2.383 . . . . 0.0 110.494 -179.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -83.07 -23.94 32.92 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 114.063 1.135 . . . . 0.0 114.063 -175.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -138.08 152.79 49.12 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.478 1.511 . . . . 0.0 111.684 -173.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -58.44 -49.86 75.79 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.966 0.906 . . . . 0.0 112.274 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.3 p-80 -63.67 -25.98 68.46 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.745 0.818 . . . . 0.0 113.168 -178.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.5 m -72.47 -43.09 64.2 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.506 0.722 . . . . 0.0 111.651 178.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.6 tp -64.59 -46.76 81.33 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 122.729 0.412 . . . . 0.0 110.742 170.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -61.87 -33.43 74.19 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.536 0.734 . . . . 0.0 112.5 -173.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.3 -35.42 66.1 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.409 1.084 . . . . 0.0 113.179 171.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -63.78 -31.96 73.31 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.37 0.668 . . . . 0.0 112.162 173.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.7 mt -56.9 -24.81 54.82 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 120.993 -1.067 . . . . 0.0 113.481 176.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 -62.93 -19.24 64.06 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -179.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.5 pt -78.2 -32.04 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 O-C-N 121.419 -0.801 . . . . 0.0 111.629 170.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 . . . . . 0 CA--C 1.543 0.683 0 C-N-CA 125.684 1.594 . . . . 0.0 112.139 178.177 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.6 pp . . . . . 0 N--CA 1.472 0.655 0 CA-C-O 121.231 0.539 . . . . 0.0 111.538 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -132.5 131.46 41.65 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 126.437 1.895 . . . . 0.0 109.938 -177.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.9 m -114.99 135.56 54.1 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.149 0.98 . . . . 0.0 112.379 -171.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.6 t -66.05 128.71 37.16 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.998 1.319 . . . . 0.0 111.106 171.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -79.08 -9.57 59.59 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.461 -0.774 . . . . 0.0 112.878 175.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -103.58 -33.81 8.87 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.927 1.291 . . . . 0.0 113.63 -173.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.0 p -135.11 0.15 2.82 Favored 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 115.212 1.56 . . . . 0.0 115.212 177.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.295 7.4 m120 60.69 25.37 15.15 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 115.991 1.849 . . . . 0.0 115.991 177.414 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -73.2 144.06 46.93 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.598 1.159 . . . . 0.0 109.392 167.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -112.71 144.43 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.818 1.247 . . . . 0.0 113.14 -177.368 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -131.92 160.79 34.73 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 127.187 2.195 . . . . 0.0 110.963 -175.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -88.85 -22.71 23.06 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 -174.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -135.69 155.21 50.77 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.578 1.551 . . . . 0.0 110.748 -175.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -63.09 -52.01 64.34 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.843 -0.536 . . . . 0.0 111.963 -175.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -60.47 -26.82 67.07 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.167 0.802 . . . . 0.0 113.167 -178.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 71.9 m -66.34 -45.43 80.24 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.978 0.911 . . . . 0.0 111.873 176.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.2 tp -64.6 -45.32 87.45 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.071 0.549 . . . . 0.0 110.887 170.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -59.99 -36.12 76.51 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 118.643 0.656 . . . . 0.0 112.246 -174.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.11 -36.57 74.94 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.477 1.111 . . . . 0.0 112.973 172.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -63.85 -31.16 72.25 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.273 0.629 . . . . 0.0 112.355 174.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.9 mt -58.55 -24.78 61.52 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 120.88 -1.137 . . . . 0.0 113.578 176.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -62.67 -14.24 41.5 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.801 1.24 . . . . 0.0 114.141 -178.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.0 pt -84.21 -24.93 7.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 123.981 0.912 . . . . 0.0 112.657 170.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 . . . . . 0 CA--C 1.544 0.736 0 C-N-CA 126.975 2.11 . . . . 0.0 113.442 -176.531 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.6 pt . . . . . 0 N--CA 1.475 0.794 0 CA-C-O 121.611 0.719 . . . . 0.0 112.3 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -126.98 132.23 50.86 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.852 2.061 . . . . 0.0 109.379 175.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.1 m -117.27 134.11 55.19 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.168 0.987 . . . . 0.0 111.9 -172.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.8 t -67.15 123.65 20.89 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.394 1.478 . . . . 0.0 111.25 173.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -74.35 -8.0 54.78 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 177.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -103.84 -34.23 8.61 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.968 1.307 . . . . 0.0 113.551 -173.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.4 p -134.92 1.52 3.02 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 115.361 1.615 . . . . 0.0 115.361 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.254 42.7 m-80 61.23 22.56 12.88 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 126.038 1.735 . . . . 0.0 115.484 178.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -72.86 143.78 47.68 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.518 1.127 . . . . 0.0 110.029 169.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -115.03 144.25 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 124.888 1.275 . . . . 0.0 113.355 -174.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -133.93 162.32 32.38 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 127.04 2.136 . . . . 0.0 111.355 -175.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -90.71 -22.95 20.87 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -174.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -137.88 155.37 49.03 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.86 1.664 . . . . 0.0 110.943 -175.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -61.79 -52.79 62.75 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.154 0.582 . . . . 0.0 112.388 -174.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -60.19 -27.66 67.33 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.716 0.806 . . . . 0.0 113.115 -177.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 64.7 m -66.99 -44.48 80.28 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.0 0.92 . . . . 0.0 111.905 177.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.8 tp -65.25 -45.42 84.66 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.235 0.614 . . . . 0.0 110.819 169.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -58.91 -37.1 75.87 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 118.652 0.66 . . . . 0.0 112.29 -174.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.06 -36.57 75.08 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.228 1.011 . . . . 0.0 112.989 173.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -63.65 -31.13 72.2 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.084 0.554 . . . . 0.0 112.251 173.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.9 mt -58.68 -25.79 63.19 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 120.922 -1.111 . . . . 0.0 113.581 177.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 92.2 mtt-85 -60.05 -19.38 52.62 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -178.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 pt -78.99 -23.31 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 123.78 0.832 . . . . 0.0 112.699 173.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 . . . . . 0 CA--C 1.545 0.76 0 C-N-CA 127.338 2.255 . . . . 0.0 113.472 -177.439 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 pp . . . . . 0 N--CA 1.468 0.465 0 CA-C-O 121.389 0.614 . . . . 0.0 111.582 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -125.14 125.05 43.1 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.033 1.733 . . . . 0.0 109.743 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.5 m -109.9 134.06 52.49 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.142 0.977 . . . . 0.0 112.28 -171.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.7 t -68.74 123.27 20.47 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.254 1.422 . . . . 0.0 111.231 172.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -74.16 -8.16 55.17 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 177.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -104.06 -34.29 8.48 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.997 1.319 . . . . 0.0 113.619 -173.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.1 p -134.05 2.01 3.31 Favored 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.25 43.6 m-80 61.34 21.74 12.22 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.092 1.757 . . . . 0.0 115.502 177.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -72.89 142.51 47.91 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.636 1.174 . . . . 0.0 110.312 169.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -111.87 144.15 20.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.941 1.297 . . . . 0.0 113.085 -178.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -131.63 161.04 33.66 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.556 1.942 . . . . 0.0 111.69 -177.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -84.82 -24.76 28.52 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -175.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -135.9 155.28 50.54 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.481 1.512 . . . . 0.0 111.588 -174.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -60.32 -49.64 76.81 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.699 0.8 . . . . 0.0 112.111 -178.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 11.3 p-80 -63.84 -24.93 67.94 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.769 0.828 . . . . 0.0 113.199 -178.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.9 m -70.08 -45.98 65.87 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.714 0.806 . . . . 0.0 111.574 177.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.4 tp -64.57 -46.68 81.7 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 122.867 0.467 . . . . 0.0 110.594 171.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -62.43 -32.24 73.06 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.299 0.64 . . . . 0.0 112.597 -172.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.47 -37.95 65.61 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.309 1.044 . . . . 0.0 113.052 170.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -61.81 -31.01 71.21 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.622 -0.674 . . . . 0.0 112.311 174.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.7 mt -57.9 -25.13 60.4 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 120.987 -1.071 . . . . 0.0 113.565 175.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 74.1 mtp85 -62.21 -15.31 45.81 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -177.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.9 pt -82.77 -28.42 8.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 123.82 0.848 . . . . 0.0 112.27 171.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 . . . . . 0 CA--C 1.542 0.64 0 C-N-CA 126.777 2.031 . . . . 0.0 113.207 -177.546 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.6 pt . . . . . 0 N--CA 1.473 0.704 0 CA-C-O 121.261 0.553 . . . . 0.0 111.438 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -122.03 130.72 53.53 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 126.616 1.966 . . . . 0.0 109.617 176.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.8 m -115.78 135.59 53.87 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.193 0.997 . . . . 0.0 112.118 -172.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.1 t -65.97 129.28 39.26 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.237 1.415 . . . . 0.0 111.245 172.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -79.53 -9.6 59.65 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.415 -0.803 . . . . 0.0 112.951 175.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -103.18 -33.83 9.06 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.853 1.261 . . . . 0.0 113.591 -173.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.3 p -135.61 0.08 2.69 Favored 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 177.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.291 7.3 m120 60.25 25.8 15.23 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 115.92 1.822 . . . . 0.0 115.92 178.434 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -72.92 145.14 47.03 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.497 1.119 . . . . 0.0 109.357 168.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -116.15 143.32 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 124.745 1.218 . . . . 0.0 113.123 -174.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -133.35 160.65 36.72 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 126.711 2.004 . . . . 0.0 111.345 -174.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -89.06 -22.81 22.75 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.371 1.249 . . . . 0.0 114.371 -174.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -137.08 155.37 49.73 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 125.806 1.643 . . . . 0.0 111.224 -176.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -60.58 -49.71 76.44 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.341 0.657 . . . . 0.0 112.041 -176.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -61.44 -25.26 67.1 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -178.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.1 m -71.15 -44.12 66.17 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.775 0.83 . . . . 0.0 111.896 177.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.4 tp -65.03 -46.13 82.6 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 122.779 0.432 . . . . 0.0 110.922 170.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -62.0 -33.72 74.86 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -173.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.25 -36.15 69.0 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.454 1.101 . . . . 0.0 113.027 171.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -63.36 -31.24 72.34 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.313 0.645 . . . . 0.0 112.294 174.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.0 mt -57.95 -24.6 58.66 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 120.941 -1.099 . . . . 0.0 113.792 176.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -62.17 -14.56 38.7 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.815 1.246 . . . . 0.0 114.226 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.9 pt -84.72 -25.96 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 123.866 0.866 . . . . 0.0 112.756 171.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 . . . . . 0 CA--C 1.541 0.621 0 C-N-CA 126.684 1.994 . . . . 0.0 113.273 -177.158 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.5 pt . . . . . 0 N--CA 1.471 0.614 0 CA-C-O 121.64 0.733 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -123.72 137.23 54.74 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.223 2.209 . . . . 0.0 109.328 174.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.1 m -119.68 135.7 54.72 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 119.4 1.0 . . . . 0.0 111.787 -174.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.4 t -69.93 124.02 22.98 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.168 1.387 . . . . 0.0 111.064 174.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -75.09 -8.6 57.01 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 177.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -102.93 -34.1 9.08 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.955 1.302 . . . . 0.0 113.579 -173.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.1 p -133.36 2.01 3.5 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 115.212 1.56 . . . . 0.0 115.212 179.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.25 43.2 m-80 60.95 22.73 12.89 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.891 1.677 . . . . 0.0 115.34 177.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -75.83 144.72 41.13 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.382 -0.824 . . . . 0.0 109.902 169.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -104.88 150.87 7.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 125.214 1.406 . . . . 0.0 113.288 176.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -137.61 162.87 32.64 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 127.773 2.429 . . . . 0.0 111.004 -178.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -90.89 -23.83 20.39 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.336 1.235 . . . . 0.0 114.336 -175.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -136.17 154.48 50.95 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 125.298 1.439 . . . . 0.0 111.568 -174.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -60.57 -50.41 73.64 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.639 0.776 . . . . 0.0 112.017 -178.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.9 p-80 -63.14 -25.62 68.44 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.837 0.855 . . . . 0.0 113.192 -178.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.6 m -69.89 -45.94 66.54 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.743 0.817 . . . . 0.0 111.679 177.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.7 tp -65.99 -45.56 81.17 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 122.913 0.485 . . . . 0.0 110.726 172.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -62.18 -33.25 74.17 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.492 0.717 . . . . 0.0 112.656 -173.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.59 -35.45 65.4 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.985 0.914 . . . . 0.0 113.031 170.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -63.54 -30.59 71.68 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.519 -0.738 . . . . 0.0 112.223 174.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.9 mt -57.53 -24.33 55.41 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 120.94 -1.1 . . . . 0.0 113.419 175.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 68.7 mtp85 -62.06 -13.53 27.23 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 pt -85.72 -25.37 6.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 124.013 0.925 . . . . 0.0 112.745 170.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 . . . . . 0 CA--C 1.543 0.674 0 C-N-CA 126.814 2.046 . . . . 0.0 113.602 -176.095 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.3 pt . . . . . 0 N--CA 1.472 0.63 0 CA-C-O 120.965 0.412 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -125.18 127.38 46.7 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.734 1.614 . . . . 0.0 109.642 176.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.8 m -114.43 135.63 53.89 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.367 1.067 . . . . 0.0 112.272 -172.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.9 t -66.62 129.76 40.92 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.072 1.349 . . . . 0.0 111.37 172.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -79.61 -9.98 59.72 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 121.429 -0.794 . . . . 0.0 112.962 175.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -103.02 -34.3 8.96 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.905 1.282 . . . . 0.0 113.576 -173.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.1 p -135.32 0.35 2.79 Favored 'General case' 0 CA--C 1.552 1.021 0 N-CA-C 115.289 1.589 . . . . 0.0 115.289 178.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.291 7.3 m120 60.25 25.6 15.03 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 116.107 1.892 . . . . 0.0 116.107 177.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -72.24 144.23 48.52 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.508 1.123 . . . . 0.0 109.442 168.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -116.12 143.13 26.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 124.916 1.287 . . . . 0.0 113.165 -175.517 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -133.7 164.7 26.62 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 126.478 1.911 . . . . 0.0 111.629 -175.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm -81.92 -31.05 31.55 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.398 1.479 . . . . 0.0 114.014 -176.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -138.42 157.76 45.59 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.222 1.409 . . . . 0.0 111.918 -171.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -58.12 -50.06 74.82 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.047 0.939 . . . . 0.0 112.194 -178.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.9 p-80 -63.44 -25.77 68.43 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -177.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.5 m -69.91 -45.97 66.41 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.615 0.766 . . . . 0.0 111.774 177.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.8 tp -64.98 -46.75 80.16 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.018 0.527 . . . . 0.0 110.642 172.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.5 mm-40 -62.02 -32.94 73.49 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.57 0.748 . . . . 0.0 112.36 -172.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.83 -34.42 66.8 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.673 1.189 . . . . 0.0 113.467 171.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 57.2 t60 -66.24 -32.24 73.54 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.461 0.704 . . . . 0.0 111.893 173.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.0 mt -57.2 -25.82 59.65 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.715 1.006 . . . . 0.0 113.715 177.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 84.2 mtm180 -60.15 -21.84 62.12 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -179.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.0 pt -76.39 -26.92 17.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 CA-C-N 118.898 0.772 . . . . 0.0 112.068 173.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 . . . . . 0 CA--C 1.544 0.727 0 C-N-CA 126.492 1.917 . . . . 0.0 112.689 179.288 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 pp . . . . . 0 N--CA 1.47 0.57 0 CA-C-O 121.879 0.847 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -124.27 134.87 53.1 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 126.23 1.812 . . . . 0.0 110.606 178.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.0 m -116.85 136.27 53.08 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.384 1.073 . . . . 0.0 112.339 -171.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.1 t -68.06 125.72 27.24 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.793 1.237 . . . . 0.0 111.536 172.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -77.35 -8.46 57.71 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.299 -0.876 . . . . 0.0 113.107 175.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -104.76 -31.98 9.07 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.072 1.349 . . . . 0.0 113.899 -173.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.3 p -137.54 0.12 2.23 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 115.069 1.507 . . . . 0.0 115.069 178.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.315 0.5 OUTLIER 62.48 24.25 14.43 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 116.78 2.141 . . . . 0.0 116.78 174.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -73.98 143.67 45.52 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.928 1.291 . . . . 0.0 109.6 168.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -109.52 146.43 14.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.776 1.23 . . . . 0.0 112.883 179.318 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -132.85 156.21 47.59 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.812 2.045 . . . . 0.0 111.257 -175.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -80.43 -22.91 40.72 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.814 1.246 . . . . 0.0 113.953 -175.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -139.2 154.16 47.99 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 125.777 1.631 . . . . 0.0 111.221 -174.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -59.44 -50.08 75.34 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.864 0.866 . . . . 0.0 112.047 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -61.63 -27.15 68.46 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -177.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 57.8 m -69.56 -44.84 70.06 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.753 0.821 . . . . 0.0 111.958 176.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.7 tp -63.54 -46.9 83.86 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 122.442 0.297 . . . . 0.0 110.814 171.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -61.74 -33.73 74.57 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -172.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.47 -36.56 65.85 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.383 1.073 . . . . 0.0 113.009 171.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -62.26 -31.14 71.68 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.363 0.665 . . . . 0.0 112.238 173.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 48.7 mt -57.54 -25.33 59.73 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 121.019 -1.051 . . . . 0.0 113.458 175.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -62.0 -15.95 47.89 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -179.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 pt -82.5 -26.96 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 123.636 0.774 . . . . 0.0 112.495 171.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 . . . . . 0 CA--C 1.543 0.684 0 C-N-CA 126.617 1.967 . . . . 0.0 113.189 -177.473 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.4 pt . . . . . 0 N--CA 1.472 0.629 0 CA-C-O 121.361 0.601 . . . . 0.0 112.338 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -129.3 123.7 32.49 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.97 2.108 . . . . 0.0 109.028 173.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.6 m -109.51 134.68 51.6 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.908 0.883 . . . . 0.0 112.639 -170.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.3 t -67.03 129.61 40.44 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.045 1.338 . . . . 0.0 111.119 172.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -79.82 -10.24 59.76 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.364 -0.835 . . . . 0.0 112.89 175.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -102.2 -34.23 9.34 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.902 1.281 . . . . 0.0 113.544 -173.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.1 p -134.36 0.35 3.06 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.294 7.7 m120 60.03 25.39 14.63 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 115.911 1.819 . . . . 0.0 115.911 177.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -73.68 143.83 46.06 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.707 1.203 . . . . 0.0 109.489 168.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -111.83 142.47 24.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 124.77 1.228 . . . . 0.0 112.729 -179.398 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -128.98 162.6 27.22 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 126.642 1.977 . . . . 0.0 110.993 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm -77.11 -31.94 56.2 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.817 1.247 . . . . 0.0 113.919 -175.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -139.19 160.48 39.71 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.174 1.39 . . . . 0.0 111.906 -170.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -59.15 -52.14 66.99 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.944 0.898 . . . . 0.0 112.444 -176.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 19.1 p80 -62.14 -28.38 69.6 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -177.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.1 m -66.18 -46.52 77.04 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.736 0.814 . . . . 0.0 111.906 177.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.0 tp -64.89 -46.0 83.61 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.03 0.532 . . . . 0.0 110.837 172.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -62.13 -32.97 73.62 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.409 0.683 . . . . 0.0 112.509 -173.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.44 -36.32 65.89 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.362 1.065 . . . . 0.0 113.066 171.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 61.4 t60 -62.37 -31.68 72.37 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.568 -0.708 . . . . 0.0 112.283 173.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.3 mt -57.33 -24.83 57.58 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 121.04 -1.038 . . . . 0.0 113.508 176.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.8 mtp85 -61.4 -15.75 39.86 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.0 pt -83.01 -26.09 8.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 123.585 0.754 . . . . 0.0 112.643 171.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 . . . . . 0 CA--C 1.544 0.718 0 C-N-CA 126.718 2.007 . . . . 0.0 113.131 -178.067 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.9 pt . . . . . 0 N--CA 1.472 0.644 0 CA-C-O 121.259 0.552 . . . . 0.0 111.275 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -127.17 134.35 50.17 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 126.056 1.743 . . . . 0.0 109.76 176.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.5 m -118.62 136.47 53.87 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.086 0.954 . . . . 0.0 111.741 -172.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.3 t -66.46 128.46 36.28 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.747 1.219 . . . . 0.0 110.678 171.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -75.55 -18.41 59.77 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 121.187 -0.946 . . . . 0.0 111.364 175.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -100.75 -32.77 10.55 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.93 1.292 . . . . 0.0 114.205 -169.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.3 p -133.5 0.21 3.29 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 115.087 1.514 . . . . 0.0 115.087 176.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.303 7.4 m120 61.03 25.77 15.78 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 116.033 1.864 . . . . 0.0 116.033 175.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -74.01 144.94 44.93 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.701 0.8 . . . . 0.0 108.893 167.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -105.53 151.19 7.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 124.99 1.316 . . . . 0.0 113.155 176.257 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -137.95 165.67 25.96 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 127.82 2.448 . . . . 0.0 110.76 -178.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -88.13 -30.46 19.81 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.35 1.46 . . . . 0.0 114.027 -176.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -135.8 152.55 51.2 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 125.613 1.565 . . . . 0.0 111.402 -173.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -59.79 -50.86 72.17 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.529 0.732 . . . . 0.0 112.035 -176.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -61.87 -25.02 67.29 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -177.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.6 m -71.7 -43.78 65.34 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.077 0.551 . . . . 0.0 111.865 176.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.2 tp -64.21 -44.07 93.06 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.139 0.576 . . . . 0.0 110.885 170.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -58.86 -37.76 77.24 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.315 0.646 . . . . 0.0 112.203 -175.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.08 -35.31 74.1 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.217 1.007 . . . . 0.0 112.95 173.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -65.38 -30.47 71.29 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.208 0.603 . . . . 0.0 112.451 174.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 46.1 mt -58.98 -24.2 62.47 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 120.728 -1.232 . . . . 0.0 113.569 176.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -62.57 -13.52 32.05 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.183 1.393 . . . . 0.0 114.14 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.5 pt -86.01 -26.12 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.016 0.926 . . . . 0.0 112.609 170.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 . . . . . 0 CA--C 1.541 0.614 0 C-N-CA 126.725 2.01 . . . . 0.0 113.166 -176.376 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.636 0 N-CA-C 111.719 -0.552 . . . . 0.0 111.719 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.0 m -67.87 147.77 52.06 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.393 1.077 . . . . 0.0 113.013 -178.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.4 p -80.35 -13.06 59.48 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.896 1.278 . . . . 0.0 114.373 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.15 -169.15 38.63 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 125.601 1.572 . . . . 0.0 112.773 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.1 m -133.81 147.7 51.26 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.187 1.395 . . . . 0.0 111.882 -178.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.4 m -144.58 161.28 39.52 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.527 1.531 . . . . 0.0 112.027 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.82 -136.94 2.44 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 125.263 1.411 . . . . 0.0 111.597 -177.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.8 tmtt? -63.7 136.36 57.41 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.886 0.874 . . . . 0.0 110.405 171.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.1 pp -120.07 169.12 11.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 125.815 1.646 . . . . 0.0 112.795 -174.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -127.84 123.9 36.25 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.638 1.975 . . . . 0.0 109.738 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.4 m -110.15 134.52 52.11 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.15 0.98 . . . . 0.0 112.468 -171.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.9 t -69.43 124.04 22.83 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.242 1.417 . . . . 0.0 111.484 172.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -74.46 -8.18 55.46 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 177.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -104.78 -34.64 8.03 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.874 1.269 . . . . 0.0 113.543 -173.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.8 p -133.09 1.98 3.58 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 115.249 1.574 . . . . 0.0 115.249 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 60.93 21.76 11.99 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 126.06 1.744 . . . . 0.0 115.352 178.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -71.98 141.46 49.38 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.465 1.106 . . . . 0.0 110.233 169.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -111.74 143.07 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 125.023 1.329 . . . . 0.0 112.782 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -130.48 159.26 37.6 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 126.416 1.887 . . . . 0.0 111.585 -178.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -84.64 -22.0 30.06 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.639 1.176 . . . . 0.0 114.011 -176.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -136.97 147.03 46.06 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.555 1.542 . . . . 0.0 111.702 -175.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -58.71 -47.35 84.86 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.343 1.057 . . . . 0.0 112.811 -175.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 15.1 p-80 -62.02 -25.22 67.52 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.674 0.79 . . . . 0.0 113.009 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.0 t -70.73 -43.95 67.86 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.722 0.809 . . . . 0.0 110.785 177.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 54.5 tp -65.31 -50.66 64.82 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.48 0.712 . . . . 0.0 111.541 171.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -58.91 -34.2 71.42 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.483 0.713 . . . . 0.0 112.581 -173.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.93 -34.01 64.18 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.414 1.086 . . . . 0.0 113.581 173.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -65.76 -31.09 71.88 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.069 0.947 . . . . 0.0 112.036 173.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 50.5 mt -57.71 -26.56 61.94 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 120.993 -1.067 . . . . 0.0 113.545 177.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.8 mtm180 -62.19 -14.07 34.04 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 pt -83.08 -25.19 8.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 123.933 0.893 . . . . 0.0 112.555 171.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -96.57 -29.73 13.7 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 127.332 2.253 . . . . 0.0 113.492 -177.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.4 t -133.28 166.81 21.63 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.496 1.518 . . . . 0.0 112.818 -175.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -136.38 163.29 30.8 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.887 1.675 . . . . 0.0 112.382 -178.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -140.85 147.53 39.1 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.311 1.445 . . . . 0.0 111.4 -178.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm . . . . . 0 C--O 1.253 1.258 0 C-N-CA 126.034 1.733 . . . . 0.0 111.22 178.591 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.611 0 N-CA-C 112.09 -0.404 . . . . 0.0 112.09 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.3 t -149.4 150.79 32.97 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.149 1.38 . . . . 0.0 111.822 178.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 m -74.67 -16.12 60.78 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.664 1.186 . . . . 0.0 113.25 172.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.9 -178.53 36.42 Favored Glycine 0 CA--C 1.539 1.541 0 C-N-CA 124.788 1.185 . . . . 0.0 114.449 -176.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.0 p -133.16 1.3 3.5 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.199 1.4 . . . . 0.0 114.675 -175.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.9 m -76.75 -18.48 58.44 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 -173.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.26 147.38 42.49 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 124.286 0.946 . . . . 0.0 113.906 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -75.3 145.3 41.93 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.169 0.988 . . . . 0.0 112.019 175.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.6 pp -135.32 157.3 39.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 125.494 1.518 . . . . 0.0 111.883 171.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -132.46 134.14 44.71 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.825 2.05 . . . . 0.0 109.658 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.3 m -116.45 134.39 54.92 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.184 0.993 . . . . 0.0 112.256 -172.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.5 t -68.56 123.93 22.19 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.385 1.474 . . . . 0.0 111.354 173.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -74.49 -8.61 56.88 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 177.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -102.83 -34.23 9.07 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.979 1.312 . . . . 0.0 113.54 -174.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.8 p -134.1 1.48 3.25 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 115.257 1.577 . . . . 0.0 115.257 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 60.53 22.6 12.31 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.055 1.742 . . . . 0.0 115.198 179.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -73.1 142.28 47.54 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.781 1.232 . . . . 0.0 110.068 169.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -111.24 145.1 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 124.754 1.221 . . . . 0.0 113.211 -178.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -132.55 164.2 27.15 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 127.491 2.316 . . . . 0.0 110.934 -177.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -90.46 -22.64 21.29 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.231 1.196 . . . . 0.0 114.231 -175.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -136.38 155.12 50.48 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.258 1.423 . . . . 0.0 111.435 -175.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -59.8 -49.49 77.5 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.583 0.753 . . . . 0.0 111.941 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -63.96 -25.07 67.97 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -178.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.9 m -70.07 -46.16 65.53 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.725 0.81 . . . . 0.0 111.55 177.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.4 tp -65.38 -45.81 82.62 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.182 0.593 . . . . 0.0 110.852 172.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 67.1 mm-40 -61.82 -32.69 73.02 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.42 0.688 . . . . 0.0 112.469 -173.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.99 -35.9 66.95 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.443 1.097 . . . . 0.0 113.16 170.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -64.01 -30.83 71.88 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.663 -0.648 . . . . 0.0 112.309 174.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.5 mt -58.7 -25.66 63.1 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 120.957 -1.089 . . . . 0.0 113.726 176.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -57.26 -23.55 48.99 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.746 1.218 . . . . 0.0 113.695 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 pt -79.87 -28.92 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 123.867 0.867 . . . . 0.0 112.472 175.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -87.23 -37.93 16.8 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.035 1.734 . . . . 0.0 113.063 -174.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.7 t -101.76 25.68 8.29 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.881 1.272 . . . . 0.0 112.964 177.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -64.71 142.44 58.43 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.542 1.137 . . . . 0.0 111.397 172.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -117.69 -0.15 11.88 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.52 1.528 . . . . 0.0 114.361 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt . . . . . 0 C--O 1.254 1.309 0 C-N-CA 125.7 1.6 . . . . 0.0 112.724 -177.27 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.575 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.4 p -68.16 158.67 32.65 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.202 1.001 . . . . 0.0 112.775 174.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.1 p 56.89 19.36 4.47 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 116.476 2.028 . . . . 0.0 116.476 -178.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.75 155.53 50.09 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 124.466 1.031 . . . . 0.0 114.098 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.1 p -79.43 -10.83 59.88 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 -176.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.0 p -144.71 162.93 35.48 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.835 1.654 . . . . 0.0 112.42 178.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.2 -167.29 54.3 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 124.327 0.965 . . . . 0.0 114.418 -178.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.7 tptp -143.43 138.21 29.17 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.942 1.697 . . . . 0.0 110.813 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 pp -130.05 164.88 31.65 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 126.349 1.86 . . . . 0.0 111.451 176.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -132.09 130.52 41.33 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 126.443 1.897 . . . . 0.0 109.888 -177.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.1 m -112.64 135.67 53.11 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.946 0.899 . . . . 0.0 112.766 -170.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.1 t -66.52 129.36 39.58 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.066 1.346 . . . . 0.0 111.293 171.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -79.63 -10.06 59.73 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.523 -0.736 . . . . 0.0 112.845 175.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -103.13 -33.84 9.08 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.959 1.304 . . . . 0.0 113.705 -173.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.2 p -134.79 0.07 2.9 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 115.181 1.549 . . . . 0.0 115.181 177.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.294 7.4 m120 60.38 25.1 14.62 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 116.029 1.863 . . . . 0.0 116.029 177.383 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -73.17 144.28 46.91 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.68 1.192 . . . . 0.0 109.383 168.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -112.19 143.71 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 124.741 1.216 . . . . 0.0 113.09 -178.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -130.13 160.83 32.59 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 126.993 2.117 . . . . 0.0 111.274 -175.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -87.69 -21.87 24.99 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 -174.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -138.32 153.25 49.0 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 125.645 1.578 . . . . 0.0 110.893 -176.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -60.15 -49.02 79.27 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.265 0.626 . . . . 0.0 112.076 -177.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -62.06 -24.76 67.29 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.499 0.925 . . . . 0.0 113.499 -178.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 63.2 m -71.95 -44.05 64.2 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.592 0.757 . . . . 0.0 111.719 177.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 45.1 tp -63.51 -46.19 87.21 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 122.604 0.362 . . . . 0.0 110.857 170.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -62.14 -33.92 75.4 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -173.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.32 -36.22 68.83 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.352 1.061 . . . . 0.0 113.022 171.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -63.24 -31.14 72.22 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.626 -0.671 . . . . 0.0 112.351 174.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 45.1 mt -57.52 -25.4 59.78 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 120.951 -1.093 . . . . 0.0 113.556 176.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -62.55 -12.98 25.88 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.801 1.24 . . . . 0.0 114.301 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 pt -85.34 -25.76 6.69 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 123.927 0.891 . . . . 0.0 112.715 170.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -93.79 -28.08 16.1 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.827 2.051 . . . . 0.0 113.499 -176.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.6 t -127.69 161.67 28.37 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.305 1.442 . . . . 0.0 112.52 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -141.78 163.29 33.29 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.874 1.67 . . . . 0.0 111.463 -175.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -70.56 157.43 37.91 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.28 1.032 . . . . 0.0 113.475 177.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.6 tptt . . . . . 0 C--O 1.253 1.237 0 C-N-CA 126.09 1.756 . . . . 0.0 111.368 -178.985 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.588 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.0 m -68.91 -19.5 64.21 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 -179.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.8 p -140.46 160.22 40.48 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.462 1.905 . . . . 0.0 111.514 174.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.77 145.52 26.16 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 124.187 0.898 . . . . 0.0 113.54 178.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.4 m -80.15 148.6 30.86 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.482 1.113 . . . . 0.0 112.513 177.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.2 p -83.55 154.35 23.88 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.658 1.183 . . . . 0.0 112.658 173.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.67 -166.0 40.0 Favored Glycine 0 CA--C 1.539 1.539 0 C-N-CA 124.33 0.967 . . . . 0.0 114.312 -177.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.408 ' HE3' ' CE1' ' A' ' 10' ' ' PHE . 43.2 tptt -91.02 135.17 33.93 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.846 1.258 . . . . 0.0 111.333 175.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.3 pt -133.09 159.49 43.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 126.304 1.842 . . . . 0.0 111.3 169.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.408 ' CE1' ' HE3' ' A' ' 8' ' ' LYS . 92.0 m-85 -124.91 132.37 53.31 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 126.865 2.066 . . . . 0.0 109.154 177.097 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.4 m -117.42 135.79 53.64 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.108 0.963 . . . . 0.0 111.951 -172.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.5 t -66.06 129.5 40.02 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.096 1.359 . . . . 0.0 111.274 172.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -79.47 -10.17 59.75 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.404 -0.81 . . . . 0.0 112.925 175.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -102.7 -33.8 9.28 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.895 1.278 . . . . 0.0 113.584 -173.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.3 p -135.84 0.04 2.63 Favored 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 115.162 1.541 . . . . 0.0 115.162 178.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.292 7.2 m120 60.51 25.73 15.37 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 115.953 1.834 . . . . 0.0 115.953 177.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -73.01 144.75 47.07 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.533 1.133 . . . . 0.0 109.323 168.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -115.16 144.34 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 124.735 1.214 . . . . 0.0 113.249 -175.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -134.29 160.73 37.01 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.976 2.11 . . . . 0.0 111.221 -174.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -88.95 -23.2 22.74 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 -175.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -135.24 153.18 52.01 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.619 1.568 . . . . 0.0 111.414 -173.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -60.11 -47.88 84.05 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.355 0.662 . . . . 0.0 112.072 -177.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 19.6 p-80 -63.48 -25.45 68.27 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.264 0.838 . . . . 0.0 113.264 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.4 m -72.14 -43.23 64.99 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.508 0.723 . . . . 0.0 111.593 178.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.8 tp -65.64 -46.74 78.04 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 122.656 0.383 . . . . 0.0 110.925 170.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 57.9 mm-40 -62.21 -32.64 73.33 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.352 0.661 . . . . 0.0 112.546 -173.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.72 -36.77 67.87 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.381 1.073 . . . . 0.0 113.155 170.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.8 t60 -62.87 -31.52 72.57 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.344 0.657 . . . . 0.0 112.281 174.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.3 mt -57.83 -24.21 56.36 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 120.928 -1.107 . . . . 0.0 113.69 176.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -62.62 -13.93 37.36 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.876 1.27 . . . . 0.0 114.18 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.0 pt -85.0 -25.56 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 123.9 0.88 . . . . 0.0 112.775 170.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -91.84 -24.35 19.39 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.566 1.947 . . . . 0.0 113.01 -178.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 38.8 p -67.44 156.97 35.29 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.657 1.183 . . . . 0.0 112.473 171.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -73.48 163.13 28.46 Favored 'General case' 0 CA--C 1.548 0.887 0 O-C-N 121.638 -0.663 . . . . 0.0 112.458 173.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -104.2 14.55 30.17 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.987 1.315 . . . . 0.0 113.839 -175.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 79.4 tttt . . . . . 0 C--O 1.253 1.257 0 C-N-CA 127.42 2.288 . . . . 0.0 113.39 -174.917 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.584 0 N-CA-C 111.85 -0.5 . . . . 0.0 111.85 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.6 p -146.07 160.19 42.24 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.312 1.445 . . . . 0.0 112.503 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.9 m -81.15 -11.16 59.52 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 -176.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.33 -167.25 40.37 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 124.854 1.216 . . . . 0.0 113.542 -177.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.4 t -67.43 152.34 45.85 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.199 0.999 . . . . 0.0 112.628 178.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.6 p -149.03 169.93 19.52 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.595 1.558 . . . . 0.0 112.853 -175.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.36 -177.84 48.96 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.72 1.152 . . . . 0.0 114.563 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -71.62 138.3 48.6 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.201 1.4 . . . . 0.0 112.135 -174.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.1 pp -124.89 166.91 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 126.844 2.057 . . . . 0.0 111.551 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -123.28 126.07 46.22 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.748 1.619 . . . . 0.0 110.107 -177.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.3 m -110.3 134.12 52.58 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.112 0.965 . . . . 0.0 112.508 -171.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.0 t -69.3 123.9 22.41 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.195 1.398 . . . . 0.0 111.349 172.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -74.73 -8.48 56.52 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 177.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -102.78 -34.14 9.12 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.875 1.27 . . . . 0.0 113.515 -174.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.9 p -134.36 1.92 3.22 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.251 44.0 m-80 61.2 21.72 12.14 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 126.037 1.735 . . . . 0.0 115.485 177.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -73.86 143.38 45.88 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.635 1.174 . . . . 0.0 110.333 169.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -111.81 144.33 19.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 125.065 1.346 . . . . 0.0 113.107 -178.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -131.06 158.27 40.83 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 126.628 1.971 . . . . 0.0 111.582 -176.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -83.55 -24.03 31.77 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.669 1.188 . . . . 0.0 114.095 -174.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -137.8 154.36 49.56 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 125.841 1.657 . . . . 0.0 111.185 -175.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -60.03 -50.28 74.35 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.557 0.743 . . . . 0.0 112.092 -177.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 -61.78 -25.39 67.44 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -178.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.4 m -71.09 -44.06 66.44 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.581 0.752 . . . . 0.0 111.87 177.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.6 tp -63.88 -47.22 81.52 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 122.541 0.336 . . . . 0.0 110.651 170.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -62.35 -33.11 74.07 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -172.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.97 -37.88 66.91 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.61 1.164 . . . . 0.0 113.084 171.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -61.59 -32.2 72.29 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.318 0.647 . . . . 0.0 112.259 174.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.0 mt -56.4 -26.34 52.9 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 121.093 -1.005 . . . . 0.0 113.65 176.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -61.56 -20.04 62.83 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 -177.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.3 pt -77.96 -25.49 14.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 118.925 0.784 . . . . 0.0 112.514 172.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -91.28 -28.64 17.65 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.876 2.07 . . . . 0.0 112.569 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 73.3 p -73.78 -33.95 64.46 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.742 0.817 . . . . 0.0 113.136 176.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -86.84 139.96 30.15 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.461 1.104 . . . . 0.0 112.482 -177.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.7 163.51 16.49 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.603 1.561 . . . . 0.0 112.921 175.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.9 mttp . . . . . 0 C--O 1.254 1.329 0 C-N-CA 126.118 1.767 . . . . 0.0 111.907 -177.619 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.631 0 N-CA-C 111.906 -0.477 . . . . 0.0 111.906 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.1 m -62.78 -19.59 64.16 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 115.081 1.511 . . . . 0.0 115.081 -171.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -75.82 -8.18 56.24 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.975 1.31 . . . . 0.0 114.112 175.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.9 -161.72 13.41 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 125.223 1.392 . . . . 0.0 114.219 175.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.1 t -65.15 145.95 55.6 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.846 0.858 . . . . 0.0 112.254 177.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.6 p -78.63 154.86 29.89 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.765 1.226 . . . . 0.0 113.935 -174.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.86 167.22 33.2 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.225 1.393 . . . . 0.0 112.817 178.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -74.09 129.93 38.81 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.031 0.932 . . . . 0.0 111.215 178.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.8 pt -139.08 159.95 29.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 125.656 1.582 . . . . 0.0 111.626 170.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -130.01 130.38 44.91 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 126.972 2.109 . . . . 0.0 109.392 176.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.9 m -114.67 133.78 55.6 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.27 1.028 . . . . 0.0 111.867 -172.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.4 t -67.85 123.6 21.02 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.209 1.404 . . . . 0.0 111.259 173.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -74.34 -8.37 56.01 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 177.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -103.46 -34.32 8.75 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.96 1.304 . . . . 0.0 113.568 -173.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.3 p -134.15 1.67 3.25 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 115.298 1.592 . . . . 0.0 115.298 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.25 42.8 m-80 60.86 22.58 12.66 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 126.03 1.732 . . . . 0.0 115.318 178.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -73.53 142.51 46.69 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.487 1.115 . . . . 0.0 110.091 169.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -111.88 144.1 20.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.792 1.237 . . . . 0.0 113.066 -178.03 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -131.73 162.66 29.95 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 127.378 2.271 . . . . 0.0 110.353 -178.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -87.81 -25.18 23.48 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -176.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -134.76 157.87 45.63 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.331 1.452 . . . . 0.0 111.577 -173.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -61.44 -52.45 64.51 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.416 0.686 . . . . 0.0 112.168 -176.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 19.8 p80 -60.93 -29.13 69.43 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.553 0.741 . . . . 0.0 112.945 -177.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.9 m -65.48 -45.95 81.64 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.12 0.968 . . . . 0.0 112.105 178.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.3 tp -66.94 -45.99 76.09 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.258 0.623 . . . . 0.0 110.817 171.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -60.79 -34.3 74.3 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.453 0.701 . . . . 0.0 112.276 -173.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.61 -33.42 68.97 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.737 1.215 . . . . 0.0 113.499 171.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -67.94 -31.04 70.51 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.448 0.699 . . . . 0.0 112.03 173.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.8 mt -58.24 -25.11 61.32 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 120.924 -1.11 . . . . 0.0 113.603 177.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 84.6 mtm180 -60.02 -16.34 30.1 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.814 1.246 . . . . 0.0 114.13 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 pt -83.8 -24.99 7.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 123.825 0.85 . . . . 0.0 112.704 172.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -94.95 -24.93 16.74 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.968 2.107 . . . . 0.0 113.352 -177.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.8 p -64.43 148.6 50.17 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.667 1.187 . . . . 0.0 112.948 177.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -145.16 159.16 43.42 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.175 1.39 . . . . 0.0 111.169 177.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -77.48 158.82 29.76 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.515 1.126 . . . . 0.0 113.288 177.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt . . . . . 0 C--O 1.253 1.273 0 C-N-CA 126.552 1.941 . . . . 0.0 111.63 179.896 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.549 0 N-CA-C 111.601 -0.6 . . . . 0.0 111.601 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.9 p -78.09 -21.54 50.34 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 -177.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.5 m -137.21 148.27 46.4 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.806 1.642 . . . . 0.0 111.826 178.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.33 -174.81 49.52 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 124.525 1.06 . . . . 0.0 114.001 174.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -59.2 -21.73 59.94 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.068 1.347 . . . . 0.0 114.251 -177.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.3 m -60.95 -14.91 25.83 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.324 1.45 . . . . 0.0 114.051 174.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.36 -10.4 74.67 Favored Glycine 0 CA--C 1.54 1.622 0 C-N-CA 124.696 1.141 . . . . 0.0 115.039 172.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -63.94 139.85 58.81 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 118.918 1.359 . . . . 0.0 111.617 175.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.1 pt -130.77 160.05 42.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 125.688 1.595 . . . . 0.0 111.894 171.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -128.35 130.96 48.53 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.942 2.097 . . . . 0.0 109.408 176.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.1 m -115.79 134.68 54.76 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.278 1.031 . . . . 0.0 112.074 -171.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.4 t -67.48 126.86 30.62 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.424 1.49 . . . . 0.0 111.21 173.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -77.12 -9.64 58.87 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 176.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -102.23 -33.72 9.52 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.826 1.25 . . . . 0.0 113.654 -173.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.9 p -135.58 1.51 2.85 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 115.268 1.581 . . . . 0.0 115.268 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.4 m120 60.94 23.18 13.31 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.007 1.723 . . . . 0.0 115.597 178.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -72.7 143.54 48.02 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.848 1.259 . . . . 0.0 109.93 169.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -114.34 143.97 22.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 124.923 1.289 . . . . 0.0 113.167 -176.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -133.53 163.49 29.27 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 127.029 2.132 . . . . 0.0 111.184 -176.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -90.12 -22.69 21.64 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 -175.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -135.93 155.84 49.67 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.208 1.403 . . . . 0.0 111.453 -174.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -60.02 -49.77 76.36 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.628 0.771 . . . . 0.0 112.013 -179.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 11.6 p-80 -63.6 -25.51 68.26 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 -178.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.8 m -69.5 -46.18 67.18 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.772 0.829 . . . . 0.0 111.599 177.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.9 tp -65.32 -46.38 80.54 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.015 0.526 . . . . 0.0 110.801 172.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -62.42 -32.36 73.2 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.367 0.667 . . . . 0.0 112.58 -172.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.83 -36.87 67.59 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.399 1.08 . . . . 0.0 113.12 170.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -63.27 -31.22 72.32 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 121.613 -0.679 . . . . 0.0 112.314 174.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.9 mt -57.77 -24.53 57.62 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 120.859 -1.151 . . . . 0.0 113.736 176.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -62.96 -14.69 50.5 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.731 1.212 . . . . 0.0 114.067 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.9 pt -83.66 -26.14 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 123.881 0.873 . . . . 0.0 112.696 170.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -91.45 -24.6 19.64 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.587 1.955 . . . . 0.0 113.091 -178.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 32.3 p -68.95 138.75 54.84 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.473 1.109 . . . . 0.0 112.446 174.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -99.26 -56.16 2.49 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.047 0.939 . . . . 0.0 111.191 171.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -153.74 136.77 15.5 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.456 1.503 . . . . 0.0 110.341 174.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.4 mmtm . . . . . 0 C--O 1.253 1.254 0 C-N-CA 126.663 1.985 . . . . 0.0 111.209 175.894 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.621 0 N-CA-C 111.747 -0.541 . . . . 0.0 111.747 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.5 p -83.45 -16.7 44.75 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -178.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.4 m -67.58 147.63 52.5 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.884 1.273 . . . . 0.0 113.048 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.1 166.07 35.92 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.705 1.145 . . . . 0.0 113.214 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.4 m -71.81 140.43 49.41 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.263 1.025 . . . . 0.0 112.788 -177.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.1 p -127.47 0.37 6.26 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.45 1.5 . . . . 0.0 114.545 -177.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.66 -163.33 54.31 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 124.604 1.097 . . . . 0.0 113.658 -175.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -70.33 138.67 51.64 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.818 0.847 . . . . 0.0 110.748 174.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.3 pp -125.03 164.69 23.45 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 C-N-CA 125.599 1.559 . . . . 0.0 112.357 -178.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -125.4 125.74 43.88 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.678 1.991 . . . . 0.0 109.655 -178.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.5 m -109.03 134.45 51.65 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.03 0.932 . . . . 0.0 112.551 -171.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.5 t -67.85 126.32 29.05 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.238 1.415 . . . . 0.0 111.189 171.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -76.73 -9.36 58.62 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 176.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -103.12 -33.83 9.08 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.822 1.249 . . . . 0.0 113.747 -173.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.6 p -134.75 1.64 3.08 Favored 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.252 15.4 m120 61.39 22.17 12.62 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.077 1.751 . . . . 0.0 115.678 177.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -73.43 143.77 46.6 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.718 1.207 . . . . 0.0 110.149 169.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -112.45 143.03 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 125.043 1.337 . . . . 0.0 112.937 -178.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -130.45 159.62 36.5 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 126.582 1.953 . . . . 0.0 111.632 -176.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -86.04 -21.86 27.52 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -174.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -136.36 154.83 50.72 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.585 1.554 . . . . 0.0 111.335 -176.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -60.61 -48.93 79.6 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.458 0.703 . . . . 0.0 112.031 -178.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 11.0 p-80 -63.97 -24.72 67.83 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 74.2 m -70.24 -45.73 65.87 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.611 0.765 . . . . 0.0 111.6 177.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.3 tp -64.35 -46.62 82.65 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 122.727 0.411 . . . . 0.0 110.717 171.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -62.7 -32.35 73.43 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.346 0.659 . . . . 0.0 112.625 -172.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.34 -36.92 66.25 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.266 1.026 . . . . 0.0 113.128 170.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -62.78 -31.03 71.92 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.594 -0.691 . . . . 0.0 112.349 174.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.8 mt -57.65 -25.0 59.53 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 120.919 -1.113 . . . . 0.0 113.544 176.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -64.08 -11.87 33.82 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.844 1.258 . . . . 0.0 114.378 -179.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 pt -85.2 -26.68 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 123.928 0.891 . . . . 0.0 112.454 169.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -92.9 -27.28 17.19 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.875 2.07 . . . . 0.0 113.126 -178.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.6 t -133.15 144.35 49.83 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.487 1.515 . . . . 0.0 112.078 175.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -152.96 161.39 42.6 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.454 1.501 . . . . 0.0 110.766 178.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -71.02 141.6 50.94 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.886 0.875 . . . . 0.0 111.777 174.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.1 pttp . . . . . 0 C--O 1.254 1.291 0 C-N-CA 126.108 1.763 . . . . 0.0 112.801 -179.091 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.631 0 N-CA-C 112.151 -0.38 . . . . 0.0 112.151 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.6 m -68.93 152.72 44.92 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.641 1.176 . . . . 0.0 113.22 -178.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.4 m -76.0 -9.28 58.49 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 114.86 1.43 . . . . 0.0 114.86 -176.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.53 167.47 36.74 Favored Glycine 0 CA--C 1.538 1.478 0 C-N-CA 124.989 1.281 . . . . 0.0 113.875 -174.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.5 p -153.61 158.21 40.81 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.801 1.24 . . . . 0.0 112.84 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.5 m -90.44 154.65 19.5 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.949 1.3 . . . . 0.0 112.309 176.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.23 -175.73 45.6 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 124.503 1.049 . . . . 0.0 113.48 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.8 tptp -65.43 132.81 49.9 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.352 1.061 . . . . 0.0 111.589 178.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 pp -132.0 170.36 20.03 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 126.954 2.102 . . . . 0.0 111.169 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -130.19 127.98 40.79 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 125.997 1.719 . . . . 0.0 109.808 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.7 m -108.94 134.83 51.08 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.028 0.931 . . . . 0.0 112.493 -171.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.9 t -69.91 123.21 20.93 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.96 1.304 . . . . 0.0 111.061 172.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -74.95 -8.21 55.84 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 177.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -103.59 -34.12 8.76 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.976 1.31 . . . . 0.0 113.625 -173.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.5 p -132.92 2.56 3.68 Favored 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 61.15 21.89 12.26 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 126.122 1.769 . . . . 0.0 115.485 176.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -76.47 144.59 39.76 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.987 0.915 . . . . 0.0 110.047 169.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.1 m -103.6 151.34 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 124.967 1.307 . . . . 0.0 113.169 173.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -134.43 159.4 41.2 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 127.657 2.383 . . . . 0.0 110.586 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -83.46 -26.19 30.5 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -174.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -137.5 153.23 50.07 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.579 1.552 . . . . 0.0 111.112 -174.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -60.25 -50.21 74.54 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.354 0.662 . . . . 0.0 112.123 -176.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -61.54 -24.97 67.0 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 -178.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.8 m -72.31 -43.83 63.59 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.583 0.753 . . . . 0.0 111.865 177.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.1 tp -64.12 -45.86 86.74 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 122.642 0.377 . . . . 0.0 110.726 170.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -61.48 -34.15 74.97 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.267 0.627 . . . . 0.0 112.527 -173.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.17 -36.1 66.54 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.19 0.996 . . . . 0.0 112.991 171.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -62.95 -30.75 71.81 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.574 -0.703 . . . . 0.0 112.31 173.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 45.6 mt -57.72 -24.81 58.76 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 120.958 -1.089 . . . . 0.0 113.425 175.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.4 mtp85 -61.74 -15.59 42.24 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.6 pt -83.07 -30.6 8.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 123.592 0.757 . . . . 0.0 111.971 170.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -86.37 -25.42 25.36 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.317 1.847 . . . . 0.0 112.993 -178.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 64.5 p -69.56 -18.8 63.68 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.303 1.041 . . . . 0.0 113.106 170.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 56.1 t30 54.12 39.78 31.01 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 126.334 1.854 . . . . 0.0 113.855 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -69.38 155.34 40.59 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.924 0.889 . . . . 0.0 112.47 173.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? . . . . . 0 C--O 1.253 1.261 0 C-N-CA 125.542 1.537 . . . . 0.0 111.887 -176.526 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.579 0 N-CA-C 110.546 -1.021 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.3 m 52.22 37.45 22.0 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.832 1.253 . . . . 0.0 112.96 -170.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 m -73.4 -12.24 60.74 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.631 1.572 . . . . 0.0 114.936 -169.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.6 179.18 48.78 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 125.437 1.494 . . . . 0.0 112.877 179.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.7 m 54.08 32.36 15.52 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.592 1.557 . . . . 0.0 114.867 177.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.6 p -76.33 -13.84 60.12 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.189 1.396 . . . . 0.0 114.647 -176.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.53 160.6 32.67 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 125.262 1.41 . . . . 0.0 112.795 176.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -86.33 139.66 30.77 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.686 1.194 . . . . 0.0 111.983 -178.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.1 pp -127.91 164.35 29.52 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 C-N-CA 126.796 2.038 . . . . 0.0 111.299 176.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -117.99 122.45 43.26 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.876 1.67 . . . . 0.0 109.783 -179.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.1 m -107.5 133.97 51.21 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.081 0.952 . . . . 0.0 112.468 -172.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.4 t -68.95 123.62 21.5 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.323 1.449 . . . . 0.0 111.322 172.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -74.43 -8.2 55.5 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 177.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -103.6 -34.42 8.65 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.985 1.314 . . . . 0.0 113.551 -173.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.8 p -133.98 1.83 3.31 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 115.354 1.613 . . . . 0.0 115.354 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.25 43.4 m-80 61.32 21.67 12.15 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.097 1.759 . . . . 0.0 115.454 178.094 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -73.21 143.06 47.3 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.559 1.143 . . . . 0.0 110.301 169.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -112.53 143.1 22.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 125.058 1.343 . . . . 0.0 112.931 -178.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -130.4 159.91 35.6 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.427 1.891 . . . . 0.0 111.637 -177.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -83.73 -24.1 31.32 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.523 1.129 . . . . 0.0 113.977 -174.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -137.78 154.31 49.58 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.612 1.565 . . . . 0.0 111.478 -174.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -59.46 -49.01 79.43 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.788 0.835 . . . . 0.0 112.328 -178.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.1 p-80 -63.61 -25.7 68.35 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.82 0.848 . . . . 0.0 113.281 -178.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.7 m -71.36 -43.95 65.95 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.53 0.732 . . . . 0.0 111.531 178.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.8 tp -65.17 -47.41 77.09 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 122.552 0.341 . . . . 0.0 110.808 170.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -62.33 -32.28 73.03 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.346 0.658 . . . . 0.0 112.755 -171.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.69 -37.26 62.69 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.182 0.993 . . . . 0.0 113.061 170.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -61.24 -31.25 71.04 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.616 -0.678 . . . . 0.0 112.188 173.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.7 mt -57.06 -26.07 59.74 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.002 -1.061 . . . . 0.0 113.342 175.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.8 mtt-85 -63.93 -10.45 21.19 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -178.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.2 pt -85.08 -25.38 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 123.798 0.839 . . . . 0.0 112.472 169.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -96.12 -28.14 14.73 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 127.329 2.252 . . . . 0.0 113.266 -177.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.2 t -137.59 167.69 21.17 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.965 1.706 . . . . 0.0 112.166 -178.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -120.22 156.14 31.76 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.362 1.465 . . . . 0.0 111.856 179.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -83.23 155.49 23.66 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.978 1.311 . . . . 0.0 112.031 178.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt . . . . . 0 C--O 1.253 1.279 0 C-N-CA 126.621 1.968 . . . . 0.0 112.943 -174.094 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.654 0 N-CA-C 112.038 -0.425 . . . . 0.0 112.038 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.1 t -149.81 146.62 27.26 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.904 1.281 . . . . 0.0 111.934 179.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 m -65.87 -16.69 64.06 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.197 0.999 . . . . 0.0 113.009 170.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.56 -11.6 80.29 Favored Glycine 0 CA--C 1.538 1.52 0 C-N-CA 124.918 1.247 . . . . 0.0 114.85 174.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.0 m -78.49 81.97 4.79 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 118.724 1.262 . . . . 0.0 111.132 177.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.7 p -77.1 -8.83 58.16 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 115.246 1.573 . . . . 0.0 115.246 -173.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.06 -167.55 33.78 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 124.869 1.223 . . . . 0.0 113.623 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -65.69 137.8 57.55 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.858 1.263 . . . . 0.0 111.261 179.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.9 pp -123.3 169.93 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 126.071 1.748 . . . . 0.0 112.677 -176.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -127.55 128.5 45.73 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.498 1.919 . . . . 0.0 109.66 178.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.9 m -110.04 135.44 50.86 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.086 0.955 . . . . 0.0 112.45 -171.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.2 t -69.73 125.96 28.29 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.763 1.225 . . . . 0.0 110.919 172.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -77.06 -9.41 58.7 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 176.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -102.85 -33.77 9.23 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.909 1.284 . . . . 0.0 113.697 -173.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.8 p -133.73 2.32 3.43 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 115.08 1.511 . . . . 0.0 115.08 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.5 m120 61.42 22.18 12.63 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 115.677 1.732 . . . . 0.0 115.677 175.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -76.29 145.2 39.79 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.125 0.97 . . . . 0.0 109.825 169.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -104.03 151.18 6.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 125.022 1.329 . . . . 0.0 113.131 173.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -135.08 159.13 42.5 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 127.657 2.383 . . . . 0.0 110.494 -179.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -83.07 -23.94 32.92 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 114.063 1.135 . . . . 0.0 114.063 -175.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -138.08 152.79 49.12 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.478 1.511 . . . . 0.0 111.684 -173.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -58.44 -49.86 75.79 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.966 0.906 . . . . 0.0 112.274 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.3 p-80 -63.67 -25.98 68.46 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.745 0.818 . . . . 0.0 113.168 -178.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.5 m -72.47 -43.09 64.2 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.506 0.722 . . . . 0.0 111.651 178.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.6 tp -64.59 -46.76 81.33 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 122.729 0.412 . . . . 0.0 110.742 170.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -61.87 -33.43 74.19 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.536 0.734 . . . . 0.0 112.5 -173.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.3 -35.42 66.1 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.409 1.084 . . . . 0.0 113.179 171.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -63.78 -31.96 73.31 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.37 0.668 . . . . 0.0 112.162 173.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.7 mt -56.9 -24.81 54.82 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 120.993 -1.067 . . . . 0.0 113.481 176.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 -62.93 -19.24 64.06 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -179.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.5 pt -78.2 -32.04 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 O-C-N 121.419 -0.801 . . . . 0.0 111.629 170.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -79.71 -29.1 40.6 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.684 1.594 . . . . 0.0 112.139 178.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 44.2 p -78.87 -8.15 58.57 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.001 0.92 . . . . 0.0 112.273 167.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 52.2 t30 57.73 43.06 22.64 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 127.282 2.233 . . . . 0.0 114.086 -177.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -111.53 -4.56 14.76 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.759 1.224 . . . . 0.0 114.027 173.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.9 tttm . . . . . 0 C--O 1.251 1.17 0 C-N-CA 127.293 2.237 . . . . 0.0 111.458 -179.336 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.63 0 N-CA-C 111.56 -0.616 . . . . 0.0 111.56 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.1 m -66.76 156.44 35.43 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.479 1.112 . . . . 0.0 113.172 178.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.7 t -70.93 160.75 32.28 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.105 0.962 . . . . 0.0 112.641 176.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.98 62.0 2.54 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 125.929 1.728 . . . . 0.0 113.782 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 t -142.04 175.87 9.4 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.229 1.812 . . . . 0.0 111.633 -178.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.1 m -59.61 147.45 37.22 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.213 1.405 . . . . 0.0 112.861 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.73 41.08 1.41 Allowed Glycine 0 CA--C 1.535 1.283 0 C-N-CA 125.684 1.611 . . . . 0.0 115.862 -175.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -68.42 145.15 54.37 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.686 1.195 . . . . 0.0 112.027 175.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.6 pp -134.17 156.97 41.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 125.682 1.593 . . . . 0.0 111.538 171.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -132.5 131.46 41.65 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 126.437 1.895 . . . . 0.0 109.938 -177.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.9 m -114.99 135.56 54.1 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.149 0.98 . . . . 0.0 112.379 -171.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.6 t -66.05 128.71 37.16 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.998 1.319 . . . . 0.0 111.106 171.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -79.08 -9.57 59.59 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.461 -0.774 . . . . 0.0 112.878 175.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -103.58 -33.81 8.87 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.927 1.291 . . . . 0.0 113.63 -173.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.0 p -135.11 0.15 2.82 Favored 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 115.212 1.56 . . . . 0.0 115.212 177.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.295 7.4 m120 60.69 25.37 15.15 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 115.991 1.849 . . . . 0.0 115.991 177.414 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -73.2 144.06 46.93 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.598 1.159 . . . . 0.0 109.392 167.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -112.71 144.43 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.818 1.247 . . . . 0.0 113.14 -177.368 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -131.92 160.79 34.73 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 127.187 2.195 . . . . 0.0 110.963 -175.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -88.85 -22.71 23.06 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 -174.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -135.69 155.21 50.77 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.578 1.551 . . . . 0.0 110.748 -175.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -63.09 -52.01 64.34 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.843 -0.536 . . . . 0.0 111.963 -175.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -60.47 -26.82 67.07 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.167 0.802 . . . . 0.0 113.167 -178.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 71.9 m -66.34 -45.43 80.24 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.978 0.911 . . . . 0.0 111.873 176.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.2 tp -64.6 -45.32 87.45 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.071 0.549 . . . . 0.0 110.887 170.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -59.99 -36.12 76.51 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 118.643 0.656 . . . . 0.0 112.246 -174.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.11 -36.57 74.94 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.477 1.111 . . . . 0.0 112.973 172.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -63.85 -31.16 72.25 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.273 0.629 . . . . 0.0 112.355 174.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.9 mt -58.55 -24.78 61.52 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 120.88 -1.137 . . . . 0.0 113.578 176.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -62.67 -14.24 41.5 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.801 1.24 . . . . 0.0 114.141 -178.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.0 pt -84.21 -24.93 7.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 123.981 0.912 . . . . 0.0 112.657 170.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -95.36 -23.87 16.98 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.975 2.11 . . . . 0.0 113.442 -176.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 29.9 p -66.27 147.33 53.48 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.291 1.036 . . . . 0.0 112.988 178.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -91.46 64.11 4.97 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.833 1.253 . . . . 0.0 110.575 176.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -139.79 146.31 39.28 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.255 1.422 . . . . 0.0 111.709 -174.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.1 ptmm? . . . . . 0 C--O 1.253 1.277 0 C-N-CA 126.341 1.857 . . . . 0.0 112.877 179.211 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.551 0 N-CA-C 111.89 -0.484 . . . . 0.0 111.89 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.9 p -77.15 162.44 27.43 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.792 1.237 . . . . 0.0 113.217 177.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.7 p -78.92 -14.8 59.01 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 178.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.27 168.92 38.4 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 125.151 1.358 . . . . 0.0 113.419 178.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.2 m -70.31 150.16 46.64 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.572 1.149 . . . . 0.0 113.184 -178.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 t -150.13 159.27 44.54 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.382 1.473 . . . . 0.0 111.383 175.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.6 140.06 34.42 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 124.198 0.904 . . . . 0.0 113.339 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -90.84 136.04 33.33 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.746 1.218 . . . . 0.0 111.004 -178.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.6 pt -129.72 162.49 37.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 125.863 1.665 . . . . 0.0 112.3 177.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -126.98 132.23 50.86 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.852 2.061 . . . . 0.0 109.379 175.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.1 m -117.27 134.11 55.19 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.168 0.987 . . . . 0.0 111.9 -172.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.8 t -67.15 123.65 20.89 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.394 1.478 . . . . 0.0 111.25 173.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -74.35 -8.0 54.78 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 177.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -103.84 -34.23 8.61 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.968 1.307 . . . . 0.0 113.551 -173.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.4 p -134.92 1.52 3.02 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 115.361 1.615 . . . . 0.0 115.361 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.254 42.7 m-80 61.23 22.56 12.88 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 126.038 1.735 . . . . 0.0 115.484 178.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -72.86 143.78 47.68 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.518 1.127 . . . . 0.0 110.029 169.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -115.03 144.25 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 124.888 1.275 . . . . 0.0 113.355 -174.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -133.93 162.32 32.38 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 127.04 2.136 . . . . 0.0 111.355 -175.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -90.71 -22.95 20.87 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -174.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -137.88 155.37 49.03 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.86 1.664 . . . . 0.0 110.943 -175.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -61.79 -52.79 62.75 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.154 0.582 . . . . 0.0 112.388 -174.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -60.19 -27.66 67.33 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.716 0.806 . . . . 0.0 113.115 -177.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 64.7 m -66.99 -44.48 80.28 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.0 0.92 . . . . 0.0 111.905 177.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.8 tp -65.25 -45.42 84.66 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.235 0.614 . . . . 0.0 110.819 169.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -58.91 -37.1 75.87 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 118.652 0.66 . . . . 0.0 112.29 -174.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.06 -36.57 75.08 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.228 1.011 . . . . 0.0 112.989 173.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -63.65 -31.13 72.2 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.084 0.554 . . . . 0.0 112.251 173.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.9 mt -58.68 -25.79 63.19 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 120.922 -1.111 . . . . 0.0 113.581 177.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 92.2 mtt-85 -60.05 -19.38 52.62 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -178.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 pt -78.99 -23.31 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 123.78 0.832 . . . . 0.0 112.699 173.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -98.83 -25.8 14.51 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 127.338 2.255 . . . . 0.0 113.472 -177.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 40.0 p -70.9 -30.63 67.03 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -79.62 152.41 30.04 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.238 1.015 . . . . 0.0 112.561 -177.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -88.44 62.05 6.43 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.614 1.166 . . . . 0.0 112.913 -169.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--O 1.253 1.24 0 C-N-CA 125.907 1.683 . . . . 0.0 112.152 177.453 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.594 0 N-CA-C 111.89 -0.484 . . . . 0.0 111.89 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.6 m -67.74 148.89 50.67 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.516 1.126 . . . . 0.0 113.012 -178.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.1 p -79.02 -13.42 59.79 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.859 1.264 . . . . 0.0 114.41 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.56 -175.85 43.32 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 125.567 1.556 . . . . 0.0 112.879 178.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.9 p -75.61 156.42 34.93 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.724 1.21 . . . . 0.0 113.116 177.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.6 t -89.88 154.48 19.84 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.569 1.148 . . . . 0.0 112.609 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.21 177.13 36.42 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 125.018 1.294 . . . . 0.0 114.456 -177.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.418 ' HE3' ' CZ ' ' A' ' 10' ' ' PHE . 9.4 tmtm? -80.96 134.54 35.72 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.362 1.065 . . . . 0.0 111.213 179.154 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 pp -127.6 168.71 20.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 126.287 1.835 . . . . 0.0 111.582 -179.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.418 ' CZ ' ' HE3' ' A' ' 8' ' ' LYS . 89.4 m-85 -125.14 125.05 43.1 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.033 1.733 . . . . 0.0 109.743 -179.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.5 m -109.9 134.06 52.49 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.142 0.977 . . . . 0.0 112.28 -171.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.7 t -68.74 123.27 20.47 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.254 1.422 . . . . 0.0 111.231 172.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -74.16 -8.16 55.17 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 177.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -104.06 -34.29 8.48 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.997 1.319 . . . . 0.0 113.619 -173.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.1 p -134.05 2.01 3.31 Favored 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.25 43.6 m-80 61.34 21.74 12.22 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.092 1.757 . . . . 0.0 115.502 177.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -72.89 142.51 47.91 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.636 1.174 . . . . 0.0 110.312 169.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -111.87 144.15 20.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.941 1.297 . . . . 0.0 113.085 -178.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -131.63 161.04 33.66 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.556 1.942 . . . . 0.0 111.69 -177.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -84.82 -24.76 28.52 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -175.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -135.9 155.28 50.54 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.481 1.512 . . . . 0.0 111.588 -174.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -60.32 -49.64 76.81 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.699 0.8 . . . . 0.0 112.111 -178.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 11.3 p-80 -63.84 -24.93 67.94 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.769 0.828 . . . . 0.0 113.199 -178.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.9 m -70.08 -45.98 65.87 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.714 0.806 . . . . 0.0 111.574 177.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.4 tp -64.57 -46.68 81.7 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 122.867 0.467 . . . . 0.0 110.594 171.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -62.43 -32.24 73.06 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.299 0.64 . . . . 0.0 112.597 -172.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.47 -37.95 65.61 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.309 1.044 . . . . 0.0 113.052 170.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -61.81 -31.01 71.21 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.622 -0.674 . . . . 0.0 112.311 174.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.7 mt -57.9 -25.13 60.4 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 120.987 -1.071 . . . . 0.0 113.565 175.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 74.1 mtp85 -62.21 -15.31 45.81 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -177.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.9 pt -82.77 -28.42 8.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 123.82 0.848 . . . . 0.0 112.27 171.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -90.82 -23.5 20.57 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.777 2.031 . . . . 0.0 113.207 -177.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 46.6 p -71.61 -16.46 62.28 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.419 1.088 . . . . 0.0 113.81 175.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -65.65 137.4 57.3 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.435 1.094 . . . . 0.0 112.436 -179.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -148.19 143.11 26.82 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.306 1.442 . . . . 0.0 110.895 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.413 ' HE2' ' HA ' ' A' ' 36' ' ' LYS . 7.9 mmpt? . . . . . 0 C--O 1.252 1.228 0 C-N-CA 126.139 1.776 . . . . 0.0 111.503 178.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.556 0 N-CA-C 111.649 -0.58 . . . . 0.0 111.649 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.6 p -75.3 159.22 31.75 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.642 1.177 . . . . 0.0 113.039 177.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.8 m -67.36 137.34 55.92 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.123 0.969 . . . . 0.0 112.564 -178.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.07 -177.86 40.36 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 124.693 1.14 . . . . 0.0 113.439 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.1 m -69.51 153.69 43.13 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.445 1.098 . . . . 0.0 112.78 178.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.5 t -138.95 148.15 43.16 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.296 1.439 . . . . 0.0 110.963 175.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.13 22.34 70.65 Favored Glycine 0 N--CA 1.474 1.168 0 C-N-CA 123.872 0.749 . . . . 0.0 114.521 -173.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.08 142.6 49.21 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.327 1.051 . . . . 0.0 113.019 -169.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.6 pt -145.33 160.53 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 127.4 2.28 . . . . 0.0 111.438 -178.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -122.03 130.72 53.53 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 126.616 1.966 . . . . 0.0 109.617 176.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.8 m -115.78 135.59 53.87 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.193 0.997 . . . . 0.0 112.118 -172.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.1 t -65.97 129.28 39.26 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.237 1.415 . . . . 0.0 111.245 172.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -79.53 -9.6 59.65 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.415 -0.803 . . . . 0.0 112.951 175.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -103.18 -33.83 9.06 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.853 1.261 . . . . 0.0 113.591 -173.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.3 p -135.61 0.08 2.69 Favored 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 177.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.291 7.3 m120 60.25 25.8 15.23 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 115.92 1.822 . . . . 0.0 115.92 178.434 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -72.92 145.14 47.03 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.497 1.119 . . . . 0.0 109.357 168.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -116.15 143.32 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 124.745 1.218 . . . . 0.0 113.123 -174.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -133.35 160.65 36.72 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 126.711 2.004 . . . . 0.0 111.345 -174.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -89.06 -22.81 22.75 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.371 1.249 . . . . 0.0 114.371 -174.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -137.08 155.37 49.73 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 125.806 1.643 . . . . 0.0 111.224 -176.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -60.58 -49.71 76.44 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.341 0.657 . . . . 0.0 112.041 -176.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -61.44 -25.26 67.1 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -178.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.1 m -71.15 -44.12 66.17 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.775 0.83 . . . . 0.0 111.896 177.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.4 tp -65.03 -46.13 82.6 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 122.779 0.432 . . . . 0.0 110.922 170.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -62.0 -33.72 74.86 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -173.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.25 -36.15 69.0 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.454 1.101 . . . . 0.0 113.027 171.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -63.36 -31.24 72.34 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.313 0.645 . . . . 0.0 112.294 174.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.0 mt -57.95 -24.6 58.66 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 120.941 -1.099 . . . . 0.0 113.792 176.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -62.17 -14.56 38.7 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.815 1.246 . . . . 0.0 114.226 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.9 pt -84.72 -25.96 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 123.866 0.866 . . . . 0.0 112.756 171.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -92.02 -25.83 18.63 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.684 1.994 . . . . 0.0 113.273 -177.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.9 p -62.41 130.19 44.08 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.331 1.053 . . . . 0.0 111.736 175.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 51.2 p-10 -137.84 17.12 2.86 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.832 1.253 . . . . 0.0 114.339 -170.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -70.33 147.08 50.03 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.861 0.864 . . . . 0.0 112.301 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 C--O 1.253 1.263 0 C-N-CA 125.687 1.595 . . . . 0.0 112.745 -175.436 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.534 0 N-CA-C 112.058 -0.417 . . . . 0.0 112.058 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.6 m -133.8 152.91 52.01 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.362 1.465 . . . . 0.0 112.171 -177.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.2 m -136.92 160.36 39.12 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.492 1.517 . . . . 0.0 112.339 -175.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.4 4.25 90.47 Favored Glycine 0 CA--C 1.538 1.481 0 N-CA-C 116.014 1.165 . . . . 0.0 116.014 175.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.4 t -76.57 153.35 35.45 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 118.643 1.222 . . . . 0.0 112.004 174.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.5 p -146.83 157.24 43.61 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.056 1.342 . . . . 0.0 112.964 -178.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.11 48.76 3.11 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 125.573 1.559 . . . . 0.0 114.558 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.84 140.17 58.84 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.335 1.054 . . . . 0.0 111.411 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.5 pt -129.63 160.65 40.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 126.008 1.723 . . . . 0.0 112.526 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -123.72 137.23 54.74 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.223 2.209 . . . . 0.0 109.328 174.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.1 m -119.68 135.7 54.72 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 119.4 1.0 . . . . 0.0 111.787 -174.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.4 t -69.93 124.02 22.98 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.168 1.387 . . . . 0.0 111.064 174.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -75.09 -8.6 57.01 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 177.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -102.93 -34.1 9.08 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.955 1.302 . . . . 0.0 113.579 -173.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.1 p -133.36 2.01 3.5 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 115.212 1.56 . . . . 0.0 115.212 179.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.25 43.2 m-80 60.95 22.73 12.89 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.891 1.677 . . . . 0.0 115.34 177.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -75.83 144.72 41.13 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.382 -0.824 . . . . 0.0 109.902 169.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -104.88 150.87 7.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 125.214 1.406 . . . . 0.0 113.288 176.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -137.61 162.87 32.64 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 127.773 2.429 . . . . 0.0 111.004 -178.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -90.89 -23.83 20.39 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.336 1.235 . . . . 0.0 114.336 -175.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -136.17 154.48 50.95 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 125.298 1.439 . . . . 0.0 111.568 -174.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -60.57 -50.41 73.64 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.639 0.776 . . . . 0.0 112.017 -178.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.9 p-80 -63.14 -25.62 68.44 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.837 0.855 . . . . 0.0 113.192 -178.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.6 m -69.89 -45.94 66.54 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.743 0.817 . . . . 0.0 111.679 177.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.7 tp -65.99 -45.56 81.17 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 122.913 0.485 . . . . 0.0 110.726 172.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -62.18 -33.25 74.17 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.492 0.717 . . . . 0.0 112.656 -173.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.59 -35.45 65.4 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.985 0.914 . . . . 0.0 113.031 170.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -63.54 -30.59 71.68 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.519 -0.738 . . . . 0.0 112.223 174.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.9 mt -57.53 -24.33 55.41 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 120.94 -1.1 . . . . 0.0 113.419 175.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 68.7 mtp85 -62.06 -13.53 27.23 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 pt -85.72 -25.37 6.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 124.013 0.925 . . . . 0.0 112.745 170.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -94.14 -26.16 16.82 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.814 2.046 . . . . 0.0 113.602 -176.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.0 t -128.97 156.67 43.42 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.226 1.41 . . . . 0.0 112.569 178.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -86.02 154.62 21.3 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.841 1.257 . . . . 0.0 113.121 -172.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -90.05 154.27 19.93 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.154 1.382 . . . . 0.0 111.709 172.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.3 tttp . . . . . 0 C--O 1.253 1.252 0 C-N-CA 125.663 1.585 . . . . 0.0 111.854 177.976 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.49 0 N-CA-C 111.972 -0.451 . . . . 0.0 111.972 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.9 p -78.46 -25.17 45.8 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -177.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.0 t -153.81 154.48 34.05 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.641 1.577 . . . . 0.0 111.524 177.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.07 -14.04 8.44 Favored Glycine 0 CA--C 1.538 1.505 0 C-N-CA 125.516 1.531 . . . . 0.0 116.433 175.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.9 m -60.47 127.16 30.34 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.308 1.554 . . . . 0.0 111.783 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.0 m 56.2 15.75 2.01 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 125.938 1.695 . . . . 0.0 115.27 -172.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.41 -155.45 31.91 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 125.699 1.618 . . . . 0.0 113.49 176.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -128.55 140.51 51.76 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.71 1.604 . . . . 0.0 110.883 174.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.3 pt -130.09 158.7 42.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 126.256 1.823 . . . . 0.0 110.772 169.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -125.18 127.38 46.7 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.734 1.614 . . . . 0.0 109.642 176.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.8 m -114.43 135.63 53.89 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.367 1.067 . . . . 0.0 112.272 -172.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.9 t -66.62 129.76 40.92 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.072 1.349 . . . . 0.0 111.37 172.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -79.61 -9.98 59.72 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 121.429 -0.794 . . . . 0.0 112.962 175.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -103.02 -34.3 8.96 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.905 1.282 . . . . 0.0 113.576 -173.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.1 p -135.32 0.35 2.79 Favored 'General case' 0 CA--C 1.552 1.021 0 N-CA-C 115.289 1.589 . . . . 0.0 115.289 178.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.291 7.3 m120 60.25 25.6 15.03 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 116.107 1.892 . . . . 0.0 116.107 177.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -72.24 144.23 48.52 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.508 1.123 . . . . 0.0 109.442 168.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -116.12 143.13 26.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 124.916 1.287 . . . . 0.0 113.165 -175.517 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -133.7 164.7 26.62 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 126.478 1.911 . . . . 0.0 111.629 -175.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm -81.92 -31.05 31.55 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.398 1.479 . . . . 0.0 114.014 -176.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -138.42 157.76 45.59 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.222 1.409 . . . . 0.0 111.918 -171.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -58.12 -50.06 74.82 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.047 0.939 . . . . 0.0 112.194 -178.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.9 p-80 -63.44 -25.77 68.43 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -177.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.5 m -69.91 -45.97 66.41 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.615 0.766 . . . . 0.0 111.774 177.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.8 tp -64.98 -46.75 80.16 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.018 0.527 . . . . 0.0 110.642 172.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.5 mm-40 -62.02 -32.94 73.49 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.57 0.748 . . . . 0.0 112.36 -172.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.83 -34.42 66.8 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.673 1.189 . . . . 0.0 113.467 171.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 57.2 t60 -66.24 -32.24 73.54 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.461 0.704 . . . . 0.0 111.893 173.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.0 mt -57.2 -25.82 59.65 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.715 1.006 . . . . 0.0 113.715 177.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 84.2 mtm180 -60.15 -21.84 62.12 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -179.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.0 pt -76.39 -26.92 17.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 CA-C-N 118.898 0.772 . . . . 0.0 112.068 173.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -88.96 -27.86 20.64 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.492 1.917 . . . . 0.0 112.689 179.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.9 p -77.38 -31.16 54.08 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-N 118.969 0.804 . . . . 0.0 113.161 173.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -73.16 144.47 46.86 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.524 1.13 . . . . 0.0 113.225 -175.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -137.81 157.8 45.68 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.093 1.757 . . . . 0.0 111.238 174.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 57.3 tttm . . . . . 0 C--O 1.252 1.226 0 C-N-CA 127.066 2.147 . . . . 0.0 113.441 -178.816 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.587 0 N-CA-C 111.976 -0.45 . . . . 0.0 111.976 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.5 p -79.69 170.57 16.34 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.742 1.217 . . . . 0.0 113.022 177.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 m -74.26 -9.73 58.9 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 -179.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.95 157.57 53.07 Favored Glycine 0 CA--C 1.538 1.515 0 C-N-CA 124.523 1.058 . . . . 0.0 113.967 179.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.2 p -149.06 161.16 42.51 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.117 1.367 . . . . 0.0 112.699 179.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.1 p -126.04 8.11 7.33 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.726 1.61 . . . . 0.0 114.314 -175.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.62 152.8 52.78 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 124.542 1.068 . . . . 0.0 114.514 -177.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -74.35 139.47 44.14 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.056 1.342 . . . . 0.0 110.95 178.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 pp -120.25 165.39 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 126.083 1.753 . . . . 0.0 112.471 -176.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -124.27 134.87 53.1 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 126.23 1.812 . . . . 0.0 110.606 178.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.0 m -116.85 136.27 53.08 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.384 1.073 . . . . 0.0 112.339 -171.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.1 t -68.06 125.72 27.24 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.793 1.237 . . . . 0.0 111.536 172.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -77.35 -8.46 57.71 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.299 -0.876 . . . . 0.0 113.107 175.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -104.76 -31.98 9.07 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.072 1.349 . . . . 0.0 113.899 -173.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.3 p -137.54 0.12 2.23 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 115.069 1.507 . . . . 0.0 115.069 178.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.315 0.5 OUTLIER 62.48 24.25 14.43 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 116.78 2.141 . . . . 0.0 116.78 174.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -73.98 143.67 45.52 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.928 1.291 . . . . 0.0 109.6 168.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -109.52 146.43 14.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.776 1.23 . . . . 0.0 112.883 179.318 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -132.85 156.21 47.59 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.812 2.045 . . . . 0.0 111.257 -175.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -80.43 -22.91 40.72 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.814 1.246 . . . . 0.0 113.953 -175.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -139.2 154.16 47.99 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 125.777 1.631 . . . . 0.0 111.221 -174.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -59.44 -50.08 75.34 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.864 0.866 . . . . 0.0 112.047 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -61.63 -27.15 68.46 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -177.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 57.8 m -69.56 -44.84 70.06 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.753 0.821 . . . . 0.0 111.958 176.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.7 tp -63.54 -46.9 83.86 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 122.442 0.297 . . . . 0.0 110.814 171.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -61.74 -33.73 74.57 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -172.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.47 -36.56 65.85 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.383 1.073 . . . . 0.0 113.009 171.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -62.26 -31.14 71.68 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.363 0.665 . . . . 0.0 112.238 173.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 48.7 mt -57.54 -25.33 59.73 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 121.019 -1.051 . . . . 0.0 113.458 175.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -62.0 -15.95 47.89 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -179.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 pt -82.5 -26.96 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 123.636 0.774 . . . . 0.0 112.495 171.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -91.73 -24.15 19.54 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.617 1.967 . . . . 0.0 113.189 -177.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 47.2 p -70.03 -26.1 63.88 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.976 0.91 . . . . 0.0 113.035 173.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -95.64 153.21 17.84 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.711 1.604 . . . . 0.0 112.065 178.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -73.98 155.31 38.75 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 -178.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.4 tmtt? . . . . . 0 C--O 1.253 1.238 0 C-N-CA 125.836 1.654 . . . . 0.0 110.491 179.941 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.588 0 N-CA-C 111.839 -0.504 . . . . 0.0 111.839 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.3 m -78.68 148.36 33.16 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.966 0.906 . . . . 0.0 112.299 176.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.8 m -133.89 137.65 45.09 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.279 1.432 . . . . 0.0 111.059 178.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.48 -7.38 8.7 Favored Glycine 0 CA--C 1.541 1.662 0 C-N-CA 124.989 1.281 . . . . 0.0 116.103 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.1 m -144.52 152.41 40.53 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.64 1.976 . . . . 0.0 111.167 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.1 m -83.29 16.28 2.55 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 125.314 1.446 . . . . 0.0 114.791 -174.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.74 -174.49 55.2 Favored Glycine 0 CA--C 1.532 1.125 0 C-N-CA 124.753 1.168 . . . . 0.0 114.289 -174.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -134.73 147.32 50.03 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.067 1.747 . . . . 0.0 110.829 176.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.4 pt -130.36 145.48 35.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 124.712 1.205 . . . . 0.0 112.338 169.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -129.3 123.7 32.49 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.97 2.108 . . . . 0.0 109.028 173.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.6 m -109.51 134.68 51.6 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.908 0.883 . . . . 0.0 112.639 -170.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.3 t -67.03 129.61 40.44 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.045 1.338 . . . . 0.0 111.119 172.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -79.82 -10.24 59.76 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.364 -0.835 . . . . 0.0 112.89 175.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -102.2 -34.23 9.34 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.902 1.281 . . . . 0.0 113.544 -173.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.1 p -134.36 0.35 3.06 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.294 7.7 m120 60.03 25.39 14.63 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 115.911 1.819 . . . . 0.0 115.911 177.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -73.68 143.83 46.06 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.707 1.203 . . . . 0.0 109.489 168.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -111.83 142.47 24.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 124.77 1.228 . . . . 0.0 112.729 -179.398 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -128.98 162.6 27.22 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 126.642 1.977 . . . . 0.0 110.993 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm -77.11 -31.94 56.2 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.817 1.247 . . . . 0.0 113.919 -175.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -139.19 160.48 39.71 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.174 1.39 . . . . 0.0 111.906 -170.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -59.15 -52.14 66.99 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.944 0.898 . . . . 0.0 112.444 -176.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 19.1 p80 -62.14 -28.38 69.6 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -177.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.1 m -66.18 -46.52 77.04 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.736 0.814 . . . . 0.0 111.906 177.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.0 tp -64.89 -46.0 83.61 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.03 0.532 . . . . 0.0 110.837 172.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -62.13 -32.97 73.62 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.409 0.683 . . . . 0.0 112.509 -173.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.44 -36.32 65.89 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.362 1.065 . . . . 0.0 113.066 171.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 61.4 t60 -62.37 -31.68 72.37 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.568 -0.708 . . . . 0.0 112.283 173.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.3 mt -57.33 -24.83 57.58 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 121.04 -1.038 . . . . 0.0 113.508 176.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.8 mtp85 -61.4 -15.75 39.86 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.0 pt -83.01 -26.09 8.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 123.585 0.754 . . . . 0.0 112.643 171.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -91.76 -22.64 20.07 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.718 2.007 . . . . 0.0 113.131 -178.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 47.5 p -73.78 -12.54 60.73 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.642 1.177 . . . . 0.0 114.169 175.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -128.86 153.35 47.54 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.644 1.578 . . . . 0.0 112.359 -174.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -142.11 142.84 32.81 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.321 1.448 . . . . 0.0 110.807 175.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.8 tttm . . . . . 0 C--O 1.253 1.269 0 C-N-CA 125.938 1.695 . . . . 0.0 111.468 -179.762 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.605 0 N-CA-C 111.947 -0.461 . . . . 0.0 111.947 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.7 t -147.45 151.76 36.96 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.038 1.335 . . . . 0.0 111.764 177.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.2 m -73.26 145.73 45.93 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.763 1.225 . . . . 0.0 113.051 -176.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.39 161.01 35.28 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 123.78 0.705 . . . . 0.0 113.019 171.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.9 p 60.11 -20.9 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 128.296 2.639 . . . . 0.0 117.582 -172.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.0 m -78.3 56.72 1.76 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.981 1.712 . . . . 0.0 112.313 179.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.32 -13.01 23.45 Favored Glycine 0 CA--C 1.539 1.584 0 C-N-CA 125.657 1.598 . . . . 0.0 114.494 -170.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.4 tptt -81.94 135.37 35.39 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.71 1.604 . . . . 0.0 111.35 175.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.9 pt -128.88 160.24 39.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 126.493 1.917 . . . . 0.0 111.275 170.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -127.17 134.35 50.17 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 126.056 1.743 . . . . 0.0 109.76 176.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.5 m -118.62 136.47 53.87 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.086 0.954 . . . . 0.0 111.741 -172.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.3 t -66.46 128.46 36.28 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.747 1.219 . . . . 0.0 110.678 171.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -75.55 -18.41 59.77 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 121.187 -0.946 . . . . 0.0 111.364 175.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -100.75 -32.77 10.55 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.93 1.292 . . . . 0.0 114.205 -169.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.3 p -133.5 0.21 3.29 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 115.087 1.514 . . . . 0.0 115.087 176.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.303 7.4 m120 61.03 25.77 15.78 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 116.033 1.864 . . . . 0.0 116.033 175.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -74.01 144.94 44.93 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.701 0.8 . . . . 0.0 108.893 167.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -105.53 151.19 7.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 124.99 1.316 . . . . 0.0 113.155 176.257 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -137.95 165.67 25.96 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 127.82 2.448 . . . . 0.0 110.76 -178.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -88.13 -30.46 19.81 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.35 1.46 . . . . 0.0 114.027 -176.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -135.8 152.55 51.2 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 125.613 1.565 . . . . 0.0 111.402 -173.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -59.79 -50.86 72.17 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.529 0.732 . . . . 0.0 112.035 -176.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -61.87 -25.02 67.29 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -177.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.6 m -71.7 -43.78 65.34 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.077 0.551 . . . . 0.0 111.865 176.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.2 tp -64.21 -44.07 93.06 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.139 0.576 . . . . 0.0 110.885 170.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -58.86 -37.76 77.24 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.315 0.646 . . . . 0.0 112.203 -175.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.08 -35.31 74.1 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.217 1.007 . . . . 0.0 112.95 173.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -65.38 -30.47 71.29 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.208 0.603 . . . . 0.0 112.451 174.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 46.1 mt -58.98 -24.2 62.47 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 120.728 -1.232 . . . . 0.0 113.569 176.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -62.57 -13.52 32.05 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.183 1.393 . . . . 0.0 114.14 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.5 pt -86.01 -26.12 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.016 0.926 . . . . 0.0 112.609 170.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -93.79 -33.33 13.62 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.725 2.01 . . . . 0.0 113.166 -176.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 t -114.61 127.73 55.94 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.003 1.321 . . . . 0.0 110.863 170.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 40.7 t-20 -156.93 168.76 26.51 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.669 1.588 . . . . 0.0 110.573 -173.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -77.18 -1.97 32.1 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.714 1.376 . . . . 0.0 114.714 177.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.6 ttpp . . . . . 0 C--O 1.254 1.334 0 C-N-CA 126.936 2.094 . . . . 0.0 111.173 178.164 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_