data_2myp_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 2myp _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 ' 1' ' ' MET . . . . . 0.45 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 56.7 ttm . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 119.694 -0.193 . . . . 0.0 111.472 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -128.82 166.43 19.07 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 125.99 1.716 . . . . 0.0 110.829 169.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.411 ' HB2' ' HE2' ' A' ' 3' ' ' LYS . 1.4 mppt? -107.41 141.46 38.77 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.75 1.22 . . . . 0.0 111.91 -175.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.8 t -123.05 140.69 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 124.536 1.134 . . . . 0.0 109.823 176.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.3 tpp -132.01 133.38 44.38 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.907 0.883 . . . . 0.0 109.987 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -106.98 131.67 53.79 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.839 0.856 . . . . 0.0 111.248 -177.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.3 t -109.23 132.3 57.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 126.639 1.976 . . . . 0.0 109.961 171.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 46.9 t -130.73 171.84 12.66 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.322 1.449 . . . . 0.0 108.835 169.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -63.74 -50.89 67.33 Favored 'General case' 0 N--CA 1.484 1.261 0 O-C-N 120.677 -1.264 . . . . 0.0 112.714 -169.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.302 0.0 OUTLIER -121.77 15.75 10.99 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 115.943 1.831 . . . . 0.0 115.943 173.927 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 53.55 23.7 3.67 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 128.739 2.816 . . . . 0.0 116.482 -176.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.3 p -82.31 -31.02 30.16 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.419 1.087 . . . . 0.0 113.605 -176.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.5 t -149.46 -177.31 5.79 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.577 1.551 . . . . 0.0 110.955 -174.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.7 mtm-85 57.13 -77.11 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 127.682 2.393 . . . . 0.0 114.235 -175.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 54.1 p -44.25 -43.2 7.13 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 126.52 1.928 . . . . 0.0 113.684 174.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -68.88 -37.54 79.1 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.451 1.1 . . . . 0.0 112.254 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.1 mtt -68.73 -35.06 76.65 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.071 0.949 . . . . 0.0 111.569 170.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.62 -42.72 95.31 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.383 0.673 . . . . 0.0 110.72 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -62.24 -43.39 98.93 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 118.908 -0.568 . . . . 0.0 110.957 169.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.16 -48.5 63.27 Favored Glycine 0 N--CA 1.475 1.239 0 C-N-CA 124.455 1.026 . . . . 0.0 114.74 175.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -71.15 -45.72 62.96 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 121.15 -1.206 . . . . 0.0 111.71 175.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.54 -40.24 95.23 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 -177.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -67.44 -25.06 65.72 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 119.414 1.006 . . . . 0.0 113.273 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.2 m -87.43 -55.18 3.91 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.452 1.501 . . . . 0.0 112.558 176.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 76.4 mt -80.94 -30.74 35.19 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.211 1.404 . . . . 0.0 112.151 -172.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -97.46 11.62 65.04 Favored Glycine 0 CA--C 1.527 0.795 0 C-N-CA 126.258 1.885 . . . . 0.0 114.512 175.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.95 112.3 0.76 Allowed 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 119.511 1.656 . . . . 0.0 112.44 178.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.9 -13.89 58.07 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 124.444 1.021 . . . . 0.0 114.356 -178.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 1' ' ' MET . 22.2 mtpp -86.22 -41.11 14.91 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.345 1.458 . . . . 0.0 110.74 169.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.3 pp -139.68 174.28 9.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 124.839 1.256 . . . . 0.0 113.513 -174.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -131.05 141.87 50.24 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.3 1.44 . . . . 0.0 108.453 168.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -138.67 151.21 23.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 N-CA-C 114.828 1.418 . . . . 0.0 114.828 -169.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.0 m -140.6 147.07 38.82 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.564 1.545 . . . . 0.0 109.752 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.7 t -117.12 139.26 50.95 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.338 1.455 . . . . 0.0 111.962 174.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 15.0 p -153.26 -178.51 7.01 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.239 1.415 . . . . 0.0 112.662 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -152.98 161.55 29.65 Favored Glycine 0 C--O 1.223 -0.591 0 O-C-N 120.143 -1.598 . . . . 0.0 112.937 170.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.476 HD22 ' H ' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -67.13 -16.12 64.13 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 117.917 0.859 . . . . 0.0 113.226 178.03 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -133.82 165.48 24.87 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 127.104 2.162 . . . . 0.0 108.12 168.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.0 t -127.71 143.46 51.14 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.615 0.766 . . . . 0.0 112.111 178.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 81.8 p -136.52 -99.47 0.21 Allowed 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.299 1.44 . . . . 0.0 111.457 176.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -155.27 155.12 33.23 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 127.859 2.463 . . . . 0.0 110.064 171.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -59.37 135.99 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 118.528 0.604 . . . . 0.0 111.377 170.319 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -72.25 127.22 90.59 Favored Pre-proline 0 CA--C 1.531 0.232 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 175.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.24 -26.21 25.55 Favored 'Trans proline' 0 CA--C 1.537 0.653 0 CA-C-N 120.503 1.215 . . . . 0.0 112.733 -169.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 20.4 m -68.29 -25.37 65.11 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.46 -0.775 . . . . 0.0 111.911 174.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.49 -45.18 92.42 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 120.817 -1.177 . . . . 0.0 111.882 175.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.4 mt -61.77 -43.79 97.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 123.942 0.897 . . . . 0.0 110.425 176.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.27 -38.56 87.18 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.314 0.578 . . . . 0.0 112.286 177.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 21.6 mmt -74.97 -29.82 61.02 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.927 1.291 . . . . 0.0 112.525 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 83.0 mmm -77.56 -29.94 52.44 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.063 0.847 . . . . 0.0 111.747 169.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -69.6 -22.91 63.47 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.997 -1.064 . . . . 0.0 112.867 175.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -60.17 -29.55 68.76 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 119.714 1.143 . . . . 0.0 112.549 170.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.0 m -103.65 10.48 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 125.478 1.511 . . . . 0.0 112.755 176.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.41 20.59 79.43 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 125.018 1.294 . . . . 0.0 115.266 176.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.4 mt -104.8 133.91 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 125.031 1.332 . . . . 0.0 110.034 -178.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -101.11 125.59 47.74 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.557 0.743 . . . . 0.0 112.373 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 33.8 pt -123.44 12.18 5.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.958 1.303 . . . . 0.0 113.002 169.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.5 t -66.81 -25.17 66.32 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 120.599 -1.313 . . . . 0.0 113.29 -175.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.86 0.32 45.85 Favored Glycine 0 CA--C 1.542 1.754 0 C-N-CA 124.755 1.169 . . . . 0.0 115.204 171.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -110.43 151.56 27.35 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.686 1.594 . . . . 0.0 110.876 177.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.3 t -149.84 -178.6 6.56 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 125.757 1.623 . . . . 0.0 106.687 168.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.2 m -67.37 137.25 55.83 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 -176.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -140.36 145.04 39.45 Favored Pre-proline 0 CA--C 1.551 1.017 0 C-N-CA 125.402 1.481 . . . . 0.0 112.958 171.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -85.75 144.53 8.73 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 123.374 2.716 . . . . 0.0 114.245 -171.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.5 tt -53.87 -35.34 27.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 127.408 2.283 . . . . 0.0 111.82 176.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -62.86 -23.69 67.43 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 -177.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.94 -12.81 43.52 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 176.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -99.89 171.47 7.84 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.179 1.392 . . . . 0.0 113.172 -170.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -123.43 82.46 2.01 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.233 1.413 . . . . 0.0 113.165 -169.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.73 -27.99 44.88 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 -178.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -58.2 -32.29 68.13 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.232 1.413 . . . . 0.0 113.984 177.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -91.21 -29.38 17.25 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -178.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -71.26 109.52 5.34 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 177.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -56.77 -30.99 64.17 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 122.961 0.504 . . . . 0.0 111.592 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 46.6 t -130.93 138.52 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 C-N-CA 124.88 1.272 . . . . 0.0 110.709 177.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 41.2 t -124.92 137.56 57.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 123.959 0.904 . . . . 0.0 109.954 171.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 27.3 mm -122.8 134.71 65.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 C-N-CA 124.422 1.089 . . . . 0.0 109.735 -177.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.5 t -101.92 137.65 39.93 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.719 0.808 . . . . 0.0 111.386 169.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.5 mp . . . . . 0 N--CA 1.469 0.48 0 C-N-CA 126.041 1.737 . . . . 0.0 109.228 -177.405 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 58.7 t . . . . . 0 N--CA 1.478 0.949 0 N-CA-C 110.643 -0.132 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -130.61 -5.32 4.15 Favored 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 -178.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 37.7 mt 42.89 64.79 5.95 Favored Pre-proline 0 N--CA 1.485 1.285 0 C-N-CA 126.366 1.866 . . . . 0.0 114.845 -177.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -50.91 -28.2 23.11 Favored 'Trans proline' 0 CA--C 1.553 1.451 0 C-N-CA 123.449 2.766 . . . . 0.0 119.123 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -76.47 -156.46 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.231 0 C-N-CA 122.476 2.117 . . . . 0.0 115.185 -176.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -52.87 -14.2 0.53 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.337 1.455 . . . . 0.0 114.452 169.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 93.5 m95 -66.24 6.23 0.44 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.657 1.983 . . . . 0.0 116.043 175.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 27.0 m -134.85 9.75 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 125.107 1.363 . . . . 0.0 113.06 169.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 44.8 p -100.51 11.57 39.18 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.756 1.223 . . . . 0.0 112.991 -178.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -59.75 175.38 0.37 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 128.265 2.626 . . . . 0.0 114.198 177.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -68.4 -38.73 81.56 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.453 169.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 28.5 mt -137.23 138.45 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.689 1.196 . . . . 0.0 110.416 170.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -128.74 135.31 49.03 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.452 1.101 . . . . 0.0 108.57 168.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -135.35 156.12 49.46 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.552 1.141 . . . . 0.0 111.153 176.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -128.55 114.35 16.62 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.687 0.795 . . . . 0.0 112.031 174.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 33.7 m0 -103.68 91.32 3.96 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.781 1.633 . . . . 0.0 109.603 -174.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -86.07 81.33 8.51 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.903 0.881 . . . . 0.0 110.381 -173.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 51.0 mt -94.61 175.62 6.6 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.423 1.489 . . . . 0.0 111.301 -177.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 27.2 mp0 -63.96 168.97 4.65 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.073 1.349 . . . . 0.0 111.587 172.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -121.23 93.93 48.79 Favored Pre-proline 0 CA--C 1.544 0.746 0 C-N-CA 124.967 1.307 . . . . 0.0 111.09 -173.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -71.72 -17.5 29.4 Favored 'Trans proline' 0 C--N 1.358 1.042 0 C-N-CA 123.78 2.986 . . . . 0.0 117.327 -169.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -60.7 106.11 0.53 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 123.991 0.917 . . . . 0.0 111.477 -175.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 87.2 12.32 68.01 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 124.192 0.901 . . . . 0.0 114.489 -177.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -91.56 -113.1 0.09 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.155 1.382 . . . . 0.0 110.558 177.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 40.3 m -152.76 159.56 43.11 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.727 2.011 . . . . 0.0 109.569 -177.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.0 mp -68.25 -25.67 65.29 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 120.983 -1.073 . . . . 0.0 112.285 -175.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -64.28 -33.9 76.9 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 120.976 -1.078 . . . . 0.0 112.069 169.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 99.3 t -74.33 -38.08 46.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 O-C-N 121.224 -0.922 . . . . 0.0 110.577 174.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -60.25 -46.02 91.25 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.041 0.837 . . . . 0.0 111.313 169.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 61.1 mtp85 -61.25 -40.2 93.17 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.519 1.128 . . . . 0.0 112.161 176.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 53.4 m -60.89 -43.23 98.75 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.548 1.139 . . . . 0.0 111.696 175.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 50.2 t -68.59 -48.31 72.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 O-C-N 121.283 -0.886 . . . . 0.0 111.846 173.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -52.9 -46.64 68.07 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.705 1.602 . . . . 0.0 112.279 -177.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -62.24 -38.25 95.89 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 123.458 0.552 . . . . 0.0 113.26 178.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -72.14 -44.56 62.94 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.865 -0.785 . . . . 0.0 111.385 176.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 61.4 t -57.18 -44.64 83.84 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 O-C-N 120.909 -1.119 . . . . 0.0 111.406 173.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -58.02 -52.89 63.66 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.939 0.896 . . . . 0.0 111.354 175.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -64.86 -37.8 88.84 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 118.689 -0.672 . . . . 0.0 112.479 -175.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 -64.24 -44.05 93.03 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.441 1.019 . . . . 0.0 111.258 174.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 14.0 t -60.25 -49.29 84.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 CA-C-O 117.84 -1.076 . . . . 0.0 113.452 173.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -61.14 -35.16 76.31 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 120.625 1.557 . . . . 0.0 112.398 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -29.6 63.12 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 177.176 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 48.0 tp -77.43 -50.58 12.41 Favored 'General case' 0 C--O 1.228 -0.048 0 C-N-CA 124.013 0.925 . . . . 0.0 111.801 178.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.8 pt -61.73 -31.88 52.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 CA-C-N 119.113 0.869 . . . . 0.0 112.055 -174.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.72 -21.56 65.29 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 175.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -83.48 -39.54 20.38 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.702 1.201 . . . . 0.0 112.868 174.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.273 1.9 pp -107.82 1.17 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 N-CA-C 115.767 1.765 . . . . 0.0 115.767 -170.173 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.0 m . . . . . 0 C--O 1.255 1.394 0 C-N-CA 124.514 1.125 . . . . 0.0 112.616 170.96 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.451 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 15.9 ttt . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 119.856 -0.116 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -129.94 166.25 20.43 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 126.023 1.729 . . . . 0.0 111.542 172.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -106.36 139.38 40.93 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.795 1.238 . . . . 0.0 110.961 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.2 t -124.54 141.26 45.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 124.345 1.058 . . . . 0.0 109.996 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 11.2 tpp -133.86 133.59 41.73 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.111 0.964 . . . . 0.0 110.17 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -111.34 120.62 42.83 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.442 1.097 . . . . 0.0 110.709 -176.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.2 t -98.24 140.89 17.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 124.808 1.243 . . . . 0.0 111.836 176.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 49.0 t -133.04 178.82 6.6 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 127.616 2.366 . . . . 0.0 109.924 176.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.99 -53.14 15.87 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 119.917 -1.739 . . . . 0.0 111.84 176.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.262 0.1 OUTLIER -128.26 9.88 6.22 Favored 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 116.12 1.896 . . . . 0.0 116.12 179.822 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.393 3.4 t30 52.56 33.54 13.69 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 129.859 3.264 . . . . 0.0 118.885 -173.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.5 p -78.81 -54.07 6.45 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.642 -0.661 . . . . 0.0 112.319 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.9 t -131.53 -171.68 2.66 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.179 1.792 . . . . 0.0 110.844 -176.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 92.5 mtm-85 57.45 -83.01 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 126.946 2.098 . . . . 0.0 113.109 -170.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.7 m -62.56 -30.05 71.03 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.522 1.529 . . . . 0.0 113.445 -171.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -68.5 -34.98 76.85 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 121.36 -0.837 . . . . 0.0 111.595 173.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 47.9 mtt -70.23 -34.24 72.64 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.152 0.981 . . . . 0.0 111.398 170.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.63 -41.65 99.14 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.175 0.59 . . . . 0.0 110.809 177.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -62.43 -43.12 99.58 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 118.881 -0.581 . . . . 0.0 111.373 169.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.26 -47.82 72.51 Favored Glycine 0 N--CA 1.474 1.214 0 C-N-CA 124.326 0.965 . . . . 0.0 114.439 175.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -70.42 -45.46 65.84 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 120.998 -1.296 . . . . 0.0 111.882 175.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.31 -40.11 93.34 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -176.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.6 ptmt -67.36 -25.55 66.04 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 119.54 1.064 . . . . 0.0 113.198 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.9 m -86.46 -56.52 3.39 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.572 1.549 . . . . 0.0 112.577 175.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 76.1 mt -81.47 -30.58 33.32 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.091 1.357 . . . . 0.0 112.188 -171.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -95.89 11.16 68.09 Favored Glycine 0 CA--C 1.524 0.631 0 C-N-CA 126.195 1.855 . . . . 0.0 114.39 175.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.74 113.67 1.05 Allowed 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.601 1.7 . . . . 0.0 112.475 -178.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.89 -19.75 11.19 Favored Glycine 0 CA--C 1.539 1.573 0 C-N-CA 125.01 1.291 . . . . 0.0 114.804 -176.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 1' ' ' MET . 28.8 mtpp -76.61 -38.76 54.24 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.702 1.201 . . . . 0.0 110.486 169.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.5 pp -144.75 171.53 6.13 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 125.05 1.34 . . . . 0.0 113.292 -178.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -125.23 144.6 50.38 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.3 1.44 . . . . 0.0 108.315 168.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -139.28 149.7 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 N-CA-C 115.531 1.678 . . . . 0.0 115.531 -169.223 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.9 m -139.5 150.68 45.42 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.54 1.536 . . . . 0.0 109.985 178.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.7 t -118.72 144.89 45.94 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.194 1.398 . . . . 0.0 111.965 175.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 18.4 t -152.54 154.24 35.04 Favored 'General case' 0 C--O 1.221 -0.437 0 C-N-CA 124.621 1.168 . . . . 0.0 112.714 -169.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -122.49 165.09 15.29 Favored Glycine 0 CA--C 1.524 0.62 0 O-C-N 120.83 -1.169 . . . . 0.0 111.163 169.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.0 mt -65.15 -38.28 90.08 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 119.958 1.879 . . . . 0.0 108.49 169.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -115.26 173.39 6.53 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.991 2.116 . . . . 0.0 109.537 169.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.6 p -147.6 138.98 23.74 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 120.985 -1.072 . . . . 0.0 112.438 -178.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 88.2 p -130.18 -72.85 0.56 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 122.981 0.513 . . . . 0.0 112.024 169.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.34 156.74 21.77 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 126.415 1.886 . . . . 0.0 111.5 -178.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.7 t -62.05 136.48 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.371 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 169.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -62.92 125.76 87.34 Favored Pre-proline 0 N--CA 1.467 0.42 0 CA-C-O 118.711 -0.661 . . . . 0.0 109.496 174.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -70.63 -23.95 26.25 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 CA-C-N 120.267 1.131 . . . . 0.0 111.827 -169.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 59.3 m -71.91 -26.24 62.23 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 121.292 -0.88 . . . . 0.0 111.908 173.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.01 -37.81 86.27 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 120.25 -1.531 . . . . 0.0 112.024 174.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.06 -48.17 82.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 172.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.48 -36.41 84.1 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -178.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.79 -28.66 60.82 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 124.469 1.108 . . . . 0.0 112.676 178.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 80.8 mmm -77.0 -30.52 55.95 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.27 0.941 . . . . 0.0 111.174 169.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -66.67 -22.31 66.09 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.167 -0.958 . . . . 0.0 113.087 173.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -64.09 -27.24 68.96 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 120.135 1.334 . . . . 0.0 112.679 173.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.7 m -103.85 10.51 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 125.391 1.476 . . . . 0.0 112.561 176.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.41 22.15 78.6 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.599 1.095 . . . . 0.0 115.133 177.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 68.9 mt -107.94 145.14 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 125.506 1.522 . . . . 0.0 109.383 178.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -113.81 129.37 56.59 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.45 0.7 . . . . 0.0 112.41 178.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.0 pt -120.5 13.0 6.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.79 1.236 . . . . 0.0 112.725 169.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.0 m -62.67 -27.6 69.35 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 120.6 -1.313 . . . . 0.0 113.325 -177.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.56 -1.74 77.87 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 124.918 1.246 . . . . 0.0 114.872 174.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -87.12 162.53 17.49 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 119.457 1.628 . . . . 0.0 111.284 175.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 23.1 p -143.2 167.87 21.1 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 128.719 2.808 . . . . 0.0 105.775 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.7 m -104.41 137.01 42.91 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.587 -0.696 . . . . 0.0 112.358 177.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -143.89 152.15 54.66 Favored Pre-proline 0 N--CA 1.479 1.013 0 C-N-CA 125.057 1.343 . . . . 0.0 113.031 -175.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -95.84 151.9 1.43 Allowed 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 123.605 2.87 . . . . 0.0 113.958 -169.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 8.2 tt -58.66 -30.66 42.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 126.102 1.761 . . . . 0.0 112.583 -178.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -60.98 -21.97 64.04 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 175.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -94.81 -15.0 24.11 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 179.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -97.47 173.82 6.98 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.998 1.319 . . . . 0.0 113.753 -169.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -127.08 88.89 2.88 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.057 1.343 . . . . 0.0 113.322 -169.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.51 -33.47 31.83 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -179.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -59.38 -25.73 64.51 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.994 1.317 . . . . 0.0 114.133 -177.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -100.84 7.53 43.66 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.196 0.998 . . . . 0.0 113.455 177.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -109.29 98.65 8.04 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.292 1.037 . . . . 0.0 108.442 173.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -55.87 -32.69 63.9 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 121.732 -0.605 . . . . 0.0 111.779 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 40.3 t -126.19 138.2 55.35 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 124.553 1.141 . . . . 0.0 110.806 173.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 51.9 t -125.31 136.64 60.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 124.319 1.048 . . . . 0.0 109.769 173.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 15.3 mm -120.41 139.99 45.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 C-N-CA 124.478 1.111 . . . . 0.0 109.814 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.6 t -106.01 134.91 48.38 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 118.676 0.671 . . . . 0.0 112.135 169.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.5 mp . . . . . 0 CA--C 1.541 0.632 0 C-N-CA 125.99 1.716 . . . . 0.0 109.332 -176.766 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 38.6 t . . . . . 0 N--CA 1.478 0.938 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -137.56 -2.52 1.96 Allowed 'General case' 0 CA--C 1.552 1.048 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.5 mt 43.46 67.08 4.01 Favored Pre-proline 0 N--CA 1.483 1.186 0 C-N-CA 126.085 1.754 . . . . 0.0 114.71 -177.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -51.06 -28.8 25.91 Favored 'Trans proline' 0 CA--C 1.555 1.535 0 C-N-CA 123.63 2.887 . . . . 0.0 118.981 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -76.59 -160.63 0.12 Allowed 'Trans proline' 0 CA--C 1.549 1.266 0 C-N-CA 122.662 2.241 . . . . 0.0 114.569 -177.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -58.45 -8.07 1.09 Allowed 'General case' 0 N--CA 1.477 0.912 0 O-C-N 120.221 -1.55 . . . . 0.0 115.122 175.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -58.33 -15.95 12.43 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.678 1.591 . . . . 0.0 114.411 171.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.8 m -117.54 4.05 7.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 124.537 1.135 . . . . 0.0 114.038 174.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 43.4 p -98.11 6.03 47.98 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.663 1.185 . . . . 0.0 113.355 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -76.78 -175.99 3.67 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.04 1.336 . . . . 0.0 111.781 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -63.18 -41.05 99.14 Favored 'General case' 0 N--CA 1.48 1.033 0 O-C-N 120.736 -1.227 . . . . 0.0 112.381 -171.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 46.9 mt -140.53 140.48 33.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 125.512 1.525 . . . . 0.0 109.557 175.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -129.51 134.64 47.88 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.69 1.196 . . . . 0.0 109.703 168.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -135.2 155.85 49.98 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.657 1.183 . . . . 0.0 111.054 175.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -124.35 111.96 16.4 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 121.472 0.654 . . . . 0.0 111.792 173.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 43.4 m0 -105.9 85.76 2.27 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.859 1.664 . . . . 0.0 109.91 -173.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -84.77 118.66 24.59 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.949 -171.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 92.1 mt -139.32 172.72 12.41 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.576 1.95 . . . . 0.0 110.979 -175.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 22.9 mp0 -61.2 169.35 2.14 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.856 2.062 . . . . 0.0 112.81 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -117.23 91.1 35.95 Favored Pre-proline 0 CA--C 1.549 0.931 0 C-N-CA 125.837 1.655 . . . . 0.0 110.497 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_exo -66.78 -15.2 46.62 Favored 'Trans proline' 0 C--N 1.359 1.105 0 C-N-CA 124.386 3.391 . . . . 0.0 117.426 -169.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -57.44 110.87 0.94 Allowed 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 119.488 1.04 . . . . 0.0 112.269 -178.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 79.68 14.86 80.55 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 123.876 0.75 . . . . 0.0 113.748 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -90.48 -110.66 0.09 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.413 1.085 . . . . 0.0 110.172 177.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 74.4 m -155.16 157.52 37.54 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 127.22 2.208 . . . . 0.0 109.326 -175.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -68.94 -27.48 65.78 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.446 -0.784 . . . . 0.0 111.854 -174.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -64.73 -34.22 77.82 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.76 0.824 . . . . 0.0 112.28 170.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 78.1 t -72.82 -39.52 59.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 O-C-N 121.05 -1.031 . . . . 0.0 110.282 174.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -58.6 -47.09 85.47 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 118.615 0.643 . . . . 0.0 111.41 170.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 61.2 mtp85 -63.69 -38.97 93.12 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.665 1.186 . . . . 0.0 112.073 178.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 51.8 m -61.26 -40.83 95.55 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.794 1.238 . . . . 0.0 111.775 174.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 41.9 t -68.26 -52.59 36.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 123.367 0.667 . . . . 0.0 111.567 171.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 48.7 ttp180 -52.69 -46.37 67.25 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.567 1.547 . . . . 0.0 112.633 -174.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -62.63 -37.46 94.81 Favored Glycine 0 N--CA 1.474 1.206 0 C-N-CA 123.469 0.557 . . . . 0.0 113.336 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -75.87 -43.82 43.69 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.821 -0.811 . . . . 0.0 111.092 177.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 85.8 t -56.43 -43.78 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 O-C-N 121.288 -0.882 . . . . 0.0 111.648 172.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -56.47 -56.06 25.96 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.904 0.881 . . . . 0.0 111.417 174.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.7 -37.38 87.4 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 118.351 -0.833 . . . . 0.0 111.788 -175.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -60.96 -44.43 97.33 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 119.218 0.917 . . . . 0.0 111.21 176.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 27.0 t -60.94 -49.72 83.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 CA-C-O 118.154 -0.927 . . . . 0.0 112.944 171.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -60.22 -35.59 75.78 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 120.537 1.517 . . . . 0.0 112.415 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.85 -24.96 60.94 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 177.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 48.0 tp -81.95 -50.0 9.64 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.487 1.115 . . . . 0.0 111.936 175.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 6.4 pt -65.01 -24.57 35.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-N 119.484 1.038 . . . . 0.0 113.17 -175.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.76 -19.93 61.95 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 173.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -88.63 -43.62 11.21 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.901 1.28 . . . . 0.0 113.13 176.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.281 1.7 pp -104.45 0.84 10.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 N-CA-C 116.965 2.209 . . . . 0.0 116.965 -169.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 79.1 p . . . . . 0 C--O 1.255 1.38 0 CA-C-N 120.069 1.304 . . . . 0.0 113.692 174.535 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.424 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 11.7 ttt . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 119.851 -0.119 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -130.46 165.61 22.28 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 125.697 1.599 . . . . 0.0 111.868 172.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.417 ' HB2' ' HE2' ' A' ' 3' ' ' LYS . 1.5 mppt? -109.87 139.19 45.24 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.681 1.192 . . . . 0.0 111.251 -176.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.3 t -123.41 138.83 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.265 1.026 . . . . 0.0 109.974 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 7.8 tpp -129.7 135.53 48.6 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.09 0.956 . . . . 0.0 110.511 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -113.85 120.18 39.85 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.484 1.114 . . . . 0.0 112.305 -174.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -97.45 144.99 9.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 C-N-CA 126.44 1.896 . . . . 0.0 111.395 174.364 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 44.4 t -144.17 -169.91 3.23 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.959 2.103 . . . . 0.0 107.271 169.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -64.23 -69.44 0.28 Allowed 'General case' 0 N--CA 1.486 1.357 0 CA-C-N 121.199 1.818 . . . . 0.0 111.824 175.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.6 ptm85 -115.6 15.43 16.59 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 115.444 1.646 . . . . 0.0 115.444 -174.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 56.93 29.86 17.03 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 126.595 1.958 . . . . 0.0 113.794 -175.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.4 p -82.83 -46.2 13.34 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.27 1.428 . . . . 0.0 112.806 -175.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.4 t -140.39 177.68 7.83 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.484 1.514 . . . . 0.0 110.334 -176.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.2 mtm-85 58.47 -71.58 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 127.694 2.398 . . . . 0.0 114.319 -174.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.9 p -50.43 -39.7 48.17 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 126.21 1.804 . . . . 0.0 113.286 177.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -71.21 -37.53 72.08 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.794 0.838 . . . . 0.0 111.892 177.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 53.4 mtt -67.83 -34.76 77.35 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 120.974 -1.079 . . . . 0.0 111.73 174.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.57 -43.48 93.76 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.092 0.557 . . . . 0.0 111.536 176.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -60.65 -42.71 97.54 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.038 0.535 . . . . 0.0 110.381 169.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -47.16 -63.4 3.31 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 126.473 1.987 . . . . 0.0 114.03 171.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -65.48 -40.58 93.28 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 119.131 1.466 . . . . 0.0 112.671 -179.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.86 -39.12 87.45 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 -177.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 ptmt -61.21 -30.57 70.51 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 120.167 1.348 . . . . 0.0 113.025 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.7 m -91.75 -52.21 4.86 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.814 1.645 . . . . 0.0 112.312 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 89.1 mt -75.73 -31.11 59.48 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.406 0.683 . . . . 0.0 112.568 -175.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -99.34 11.54 61.68 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 126.399 1.952 . . . . 0.0 114.992 176.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.01 109.98 0.31 Allowed 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 119.049 1.424 . . . . 0.0 113.535 -173.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.87 -18.56 20.46 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 124.832 1.206 . . . . 0.0 115.008 175.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 1' ' ' MET . 17.2 ptmt -87.22 -26.68 23.4 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 118.11 0.955 . . . . 0.0 112.852 169.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 pp -133.91 171.53 17.8 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 123.763 0.825 . . . . 0.0 111.854 169.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.69 145.93 52.04 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.132 0.973 . . . . 0.0 109.389 168.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -140.29 150.62 21.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 -169.287 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.7 m -143.94 149.59 37.04 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.86 1.664 . . . . 0.0 108.927 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.0 p -124.93 151.98 44.71 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 120.844 -1.16 . . . . 0.0 112.332 169.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 17.1 p -155.19 -177.25 6.41 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.367 1.467 . . . . 0.0 111.263 -178.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -149.29 166.92 29.58 Favored Glycine 0 N--CA 1.466 0.696 0 O-C-N 120.771 -1.205 . . . . 0.0 112.088 169.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.04 -15.05 62.71 Favored 'General case' 0 N--CA 1.48 1.075 0 CA-C-N 118.927 1.363 . . . . 0.0 113.383 176.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -136.58 -179.73 5.86 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 127.163 2.185 . . . . 0.0 108.906 169.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.4 t -137.69 144.28 41.71 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 120.957 -1.089 . . . . 0.0 112.448 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.9 t -143.09 -104.56 0.13 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.223 1.409 . . . . 0.0 110.497 174.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.85 160.87 41.76 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.289 1.836 . . . . 0.0 111.465 173.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.4 t -63.23 139.07 21.86 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 171.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -67.5 124.87 90.24 Favored Pre-proline 0 N--CA 1.466 0.352 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 172.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.03 -25.03 32.35 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 CA-C-N 120.293 1.14 . . . . 0.0 112.363 -169.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 51.2 m -69.23 -26.92 65.04 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 121.291 -0.881 . . . . 0.0 111.994 174.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.84 -39.32 94.0 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 120.618 -1.301 . . . . 0.0 112.144 174.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mp -57.67 -48.59 83.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 172.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.15 -37.94 89.22 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -177.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 7.4 mmt -75.41 -28.38 59.4 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.116 0.966 . . . . 0.0 112.269 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 81.8 mmm -77.46 -30.11 53.06 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 119.213 0.915 . . . . 0.0 111.808 169.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -67.26 -25.16 65.94 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 120.998 -1.064 . . . . 0.0 112.745 174.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -60.64 -30.91 70.17 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 119.874 1.216 . . . . 0.0 112.827 173.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 30.4 m -99.08 8.32 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 125.211 1.404 . . . . 0.0 112.642 176.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.47 24.33 76.45 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 124.966 1.27 . . . . 0.0 114.907 177.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 75.5 mt -112.16 139.35 37.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 125.139 1.376 . . . . 0.0 110.278 -176.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -104.38 125.89 50.99 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 -171.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.8 pt -134.66 21.55 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 124.588 1.155 . . . . 0.0 112.456 169.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.3 t -78.07 -30.87 49.91 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 121.008 -1.058 . . . . 0.0 112.686 -176.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -83.54 13.98 43.81 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 125.015 1.293 . . . . 0.0 115.639 -178.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -126.96 164.09 22.25 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.631 1.715 . . . . 0.0 111.76 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 35.1 p -131.04 176.15 8.49 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 127.303 2.241 . . . . 0.0 107.485 -173.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.1 m -74.85 148.13 40.48 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 121.74 -0.6 . . . . 0.0 112.459 170.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -141.52 146.38 41.66 Favored Pre-proline 0 CA--C 1.551 0.997 0 C-N-CA 124.399 1.079 . . . . 0.0 113.073 170.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -88.39 149.01 6.46 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 123.869 3.046 . . . . 0.0 114.102 -174.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.8 tt -57.86 -35.86 53.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 127.008 2.123 . . . . 0.0 112.076 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.31 -21.99 66.6 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 -177.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.08 -13.85 43.1 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 176.288 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -99.29 171.45 7.97 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.148 1.379 . . . . 0.0 113.588 -170.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -124.6 85.98 2.49 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.203 1.401 . . . . 0.0 112.34 -169.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.54 -33.67 46.58 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -55.57 -27.04 46.82 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.557 1.543 . . . . 0.0 114.29 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -83.46 -31.76 26.38 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 175.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -80.3 102.93 9.83 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.729 0.812 . . . . 0.0 109.41 -171.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -49.31 -36.11 20.12 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.124 0.97 . . . . 0.0 111.762 175.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.1 t -130.23 136.1 59.38 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 C-N-CA 123.95 0.9 . . . . 0.0 110.795 177.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 56.0 t -121.19 137.19 55.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 123.929 0.891 . . . . 0.0 110.128 171.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 29.7 mm -122.8 136.38 59.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 124.604 1.161 . . . . 0.0 109.514 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.2 t -105.78 132.65 51.65 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 118.633 0.651 . . . . 0.0 110.924 169.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.0 mp . . . . . 0 N--CA 1.467 0.408 0 C-N-CA 126.206 1.802 . . . . 0.0 107.867 179.751 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 61.5 t . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -137.29 -0.26 2.24 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 115.572 1.693 . . . . 0.0 115.572 178.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 40.4 mt 44.07 65.78 5.54 Favored Pre-proline 0 CA--C 1.555 1.147 0 C-N-CA 126.346 1.858 . . . . 0.0 115.12 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -51.03 -29.11 26.64 Favored 'Trans proline' 0 CA--C 1.557 1.644 0 C-N-CA 123.418 2.745 . . . . 0.0 119.174 179.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -77.07 -158.66 0.09 OUTLIER 'Trans proline' 0 CA--C 1.55 1.296 0 C-N-CA 122.669 2.246 . . . . 0.0 115.001 -176.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -53.02 -13.28 0.43 Allowed 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 126.101 1.76 . . . . 0.0 115.356 172.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 86.2 m95 -60.08 -15.93 27.47 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.909 1.684 . . . . 0.0 114.893 173.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.6 m -118.72 3.41 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 124.459 1.104 . . . . 0.0 113.907 173.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 43.4 p -94.07 2.18 56.06 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.109 0.964 . . . . 0.0 113.36 177.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 71.7 mm-40 -74.97 175.87 7.71 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.765 1.226 . . . . 0.0 112.421 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -65.0 -36.45 84.46 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -169.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 42.9 mt -137.31 135.54 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 123.889 0.875 . . . . 0.0 110.043 169.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -126.58 134.8 50.73 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.308 1.043 . . . . 0.0 109.198 168.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -134.81 153.79 51.89 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.149 0.979 . . . . 0.0 111.394 175.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -124.78 114.85 19.8 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.981 0.912 . . . . 0.0 111.868 173.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.417 ' CE2' ' HB3' ' A' ' 122' ' ' ARG . 36.9 m0 -104.07 90.12 3.49 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 125.757 1.623 . . . . 0.0 109.688 -174.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -82.96 101.55 11.14 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 122.98 0.512 . . . . 0.0 110.237 -175.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 63.3 mt -116.83 168.99 9.73 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.503 1.521 . . . . 0.0 110.47 177.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -71.27 173.49 7.68 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 122.085 0.945 . . . . 0.0 112.1 173.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -114.49 100.67 53.43 Favored Pre-proline 0 CA--C 1.552 1.046 0 C-N-CA 126.571 1.949 . . . . 0.0 111.854 -170.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_exo -70.34 -14.22 34.04 Favored 'Trans proline' 0 C--N 1.357 0.995 0 C-N-CA 123.466 2.777 . . . . 0.0 117.38 -170.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -55.86 113.74 1.62 Allowed 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.465 1.03 . . . . 0.0 112.524 -177.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.06 15.6 79.81 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 123.975 0.797 . . . . 0.0 114.404 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -89.06 -97.26 0.1 Allowed 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 118.119 0.96 . . . . 0.0 110.877 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.7 t -160.57 164.96 31.56 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.843 1.657 . . . . 0.0 109.737 171.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 59.5 mt -58.8 -37.9 77.37 Favored 'General case' 0 C--O 1.221 -0.402 0 C-N-CA 123.86 0.864 . . . . 0.0 112.21 175.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -58.94 -35.43 73.12 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.614 -0.679 . . . . 0.0 112.549 174.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 94.0 t -75.22 -38.13 40.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 O-C-N 121.388 -0.82 . . . . 0.0 111.102 175.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -60.44 -45.88 92.07 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.883 0.765 . . . . 0.0 111.411 170.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -62.83 -39.77 95.36 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.689 1.195 . . . . 0.0 111.934 177.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 53.0 m -62.33 -39.69 93.9 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.155 0.982 . . . . 0.0 111.707 175.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 40.3 t -70.33 -50.33 47.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 O-C-N 121.667 -0.646 . . . . 0.0 111.378 172.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 57.0 ttp180 -49.58 -47.36 49.45 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 126.126 1.77 . . . . 0.0 112.157 -179.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -59.6 -46.55 93.8 Favored Glycine 0 N--CA 1.471 1.033 0 C-N-CA 123.639 0.637 . . . . 0.0 112.961 178.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -69.74 -37.76 76.6 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 121.149 -1.206 . . . . 0.0 111.929 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 49.1 t -64.98 -42.9 95.95 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 O-C-N 120.973 -1.079 . . . . 0.0 111.51 174.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -53.49 -55.37 25.92 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.185 0.994 . . . . 0.0 109.783 170.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -54.28 -52.2 62.2 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.543 0.737 . . . . 0.0 112.202 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.417 ' HB3' ' CE2' ' A' ' 99' ' ' TRP . 26.1 mmm180 -63.68 -30.81 71.86 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 119.668 -0.813 . . . . 0.0 111.572 -175.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 22.0 t -70.89 -55.22 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 169.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -68.24 -23.69 64.83 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 119.878 1.217 . . . . 0.0 113.315 -173.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -80.24 -27.45 38.71 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 171.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 42.2 tp -76.9 -48.18 19.01 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.58 1.152 . . . . 0.0 112.341 175.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 11.0 pt -61.82 -29.76 46.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 CA-C-N 119.411 1.005 . . . . 0.0 112.658 -173.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.5 -21.53 65.5 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 175.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -82.09 -37.95 25.59 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.487 1.115 . . . . 0.0 112.906 174.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 1.9 pp -109.47 -5.34 10.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 N-CA-C 116.662 2.097 . . . . 0.0 116.662 -169.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.6 m . . . . . 0 C--O 1.253 1.266 0 CA-C-N 120.106 1.321 . . . . 0.0 112.819 177.047 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.412 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 12.0 ttt . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 119.716 -0.183 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -130.5 163.82 26.17 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 125.89 1.676 . . . . 0.0 112.076 173.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.415 ' HB2' ' HE2' ' A' ' 3' ' ' LYS . 1.5 mppt? -105.41 137.43 43.24 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.43 1.092 . . . . 0.0 111.115 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.6 t -121.64 139.18 49.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 124.49 1.116 . . . . 0.0 109.972 177.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.8 tpp -130.37 133.11 46.15 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 124.104 0.961 . . . . 0.0 109.807 -178.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -108.05 137.49 45.95 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.241 1.016 . . . . 0.0 111.141 -175.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.3 t -116.19 135.35 56.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 126.711 2.004 . . . . 0.0 110.141 177.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -131.88 177.34 7.61 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.564 1.546 . . . . 0.0 110.785 169.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -49.74 52.82 Favored 'General case' 0 N--CA 1.485 1.307 0 O-C-N 120.936 -1.102 . . . . 0.0 112.867 -178.095 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.283 0.0 OUTLIER -122.39 14.33 10.36 Favored 'General case' 0 N--CA 1.5 2.056 0 N-CA-C 116.048 1.87 . . . . 0.0 116.048 173.505 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 48.03 38.71 9.96 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 128.121 2.568 . . . . 0.0 115.633 -177.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.8 p -95.96 -32.54 12.55 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 114.781 1.4 . . . . 0.0 114.781 -176.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.1 t -138.28 -156.12 0.66 Allowed 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.527 1.531 . . . . 0.0 109.584 -176.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 45.17 -86.46 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 127.683 2.393 . . . . 0.0 114.138 172.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 m -51.51 -33.85 33.54 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 126.922 2.089 . . . . 0.0 113.809 174.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -70.19 -38.17 75.28 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.608 -0.683 . . . . 0.0 111.929 175.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 53.0 mtt -68.42 -32.27 72.19 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.972 0.909 . . . . 0.0 111.776 171.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.8 -40.25 96.2 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.334 0.654 . . . . 0.0 111.317 178.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -62.95 -40.94 99.2 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 119.122 -0.466 . . . . 0.0 110.892 169.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.43 -47.69 86.22 Favored Glycine 0 N--CA 1.476 1.331 0 C-N-CA 124.773 1.178 . . . . 0.0 114.532 175.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -71.59 -44.64 64.1 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 120.764 -1.433 . . . . 0.0 112.023 175.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.93 -40.08 94.5 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 118.547 -0.74 . . . . 0.0 112.895 -178.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.8 ptmm? -63.71 -27.07 68.96 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-N 120.008 1.276 . . . . 0.0 113.295 178.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.5 m -89.18 -51.0 5.81 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.597 1.559 . . . . 0.0 112.483 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 76.7 mt -85.07 -29.06 25.22 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.921 1.289 . . . . 0.0 112.141 -171.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -99.92 13.45 60.61 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 126.457 1.979 . . . . 0.0 114.255 172.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.5 110.37 0.33 Allowed 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.007 1.404 . . . . 0.0 113.482 -173.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.49 -17.43 24.75 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 124.972 1.272 . . . . 0.0 114.812 176.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 1' ' ' MET . 17.7 ptmt -88.45 -25.33 22.68 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 118.274 1.037 . . . . 0.0 112.803 169.515 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 pp -133.91 170.61 19.45 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 C-N-CA 123.727 0.811 . . . . 0.0 112.093 169.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -129.51 146.5 51.33 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.358 1.063 . . . . 0.0 109.54 168.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -139.99 150.34 21.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 N-CA-C 115.469 1.655 . . . . 0.0 115.469 -169.434 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.4 m -140.74 148.33 40.54 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.788 1.635 . . . . 0.0 110.002 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.2 t -118.43 142.1 47.89 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.716 1.206 . . . . 0.0 112.78 173.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 15.5 p -153.67 -177.27 6.26 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.351 1.46 . . . . 0.0 112.453 177.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -154.77 167.01 32.56 Favored Glycine 0 N--CA 1.467 0.75 0 O-C-N 120.114 -1.616 . . . . 0.0 112.72 170.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.41 HD21 ' H ' ' A' ' 37' ' ' LEU . 0.7 OUTLIER -65.39 -16.97 64.16 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 118.68 1.24 . . . . 0.0 112.758 174.467 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -138.46 169.27 18.09 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.733 2.013 . . . . 0.0 109.171 169.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.0 t -131.06 148.73 52.78 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.974 1.309 . . . . 0.0 111.663 179.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.9 t -140.46 -81.29 0.26 Allowed 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.006 0.922 . . . . 0.0 111.701 173.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.64 162.05 21.24 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 127.131 2.172 . . . . 0.0 109.856 171.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.4 t -65.13 137.0 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 CA-C-N 119.995 1.27 . . . . 0.0 108.496 169.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 -68.94 124.47 90.38 Favored Pre-proline 0 N--CA 1.465 0.281 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 173.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -67.69 -24.64 40.94 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 CA-C-N 120.452 1.197 . . . . 0.0 112.164 -169.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 40.9 m -70.7 -29.17 65.39 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.622 -0.674 . . . . 0.0 112.175 173.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.96 -45.32 93.06 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 120.75 -1.219 . . . . 0.0 111.488 174.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.3 mt -59.92 -43.0 91.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 123.994 0.918 . . . . 0.0 110.967 174.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.96 -42.94 99.97 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 118.547 0.612 . . . . 0.0 111.371 177.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 4.9 mmt -69.08 -25.62 64.52 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.393 1.077 . . . . 0.0 112.749 -179.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 82.8 mmm -79.52 -36.48 38.44 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 118.902 0.774 . . . . 0.0 111.411 169.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -67.54 -27.03 66.61 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.061 -1.025 . . . . 0.0 112.532 175.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -62.95 -19.99 64.8 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.262 1.025 . . . . 0.0 113.321 171.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 30.0 m -109.82 14.93 8.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 125.288 1.435 . . . . 0.0 112.632 170.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.87 16.75 78.18 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 125.091 1.329 . . . . 0.0 115.204 175.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.1 mt -101.96 125.32 56.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 C-N-CA 124.954 1.302 . . . . 0.0 109.666 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -95.16 123.54 38.71 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 121.018 0.437 . . . . 0.0 112.143 -178.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.5 pt -126.65 15.91 3.73 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 C-N-CA 125.586 1.554 . . . . 0.0 112.232 169.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.8 m -62.15 -26.11 68.13 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 120.812 -1.18 . . . . 0.0 113.563 -170.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -82.5 2.21 85.89 Favored Glycine 0 CA--C 1.539 1.549 0 C-N-CA 125.044 1.307 . . . . 0.0 115.25 175.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -73.38 154.54 40.01 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 119.88 1.84 . . . . 0.0 111.736 177.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 25.5 p -136.59 162.31 33.47 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 127.855 2.462 . . . . 0.0 106.991 169.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 77.2 p -87.52 146.82 25.63 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.258 -0.901 . . . . 0.0 112.315 172.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -143.95 146.82 35.75 Favored Pre-proline 0 N--CA 1.479 0.988 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -86.39 147.12 8.68 Favored 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 123.723 2.948 . . . . 0.0 113.894 -175.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.6 tt -56.98 -34.0 43.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 127.022 2.129 . . . . 0.0 112.075 178.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -59.7 -25.37 64.74 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.924 1.29 . . . . 0.0 114.068 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.32 -12.4 40.65 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 178.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -99.01 171.36 8.09 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.887 1.275 . . . . 0.0 114.028 -169.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -122.27 85.48 2.42 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.179 1.392 . . . . 0.0 113.224 -169.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.62 -33.63 34.0 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -57.55 -28.11 63.25 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.243 1.417 . . . . 0.0 114.244 -178.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -86.46 -32.62 20.73 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 177.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -74.54 110.72 9.06 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 -176.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -53.39 -37.27 62.32 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 121.795 -0.566 . . . . 0.0 111.02 174.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.5 t -133.16 138.31 51.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 C-N-CA 124.334 1.054 . . . . 0.0 110.192 -175.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 45.9 t -124.73 138.3 54.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.127 0.971 . . . . 0.0 109.995 173.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 23.6 mm -129.18 125.84 63.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 124.277 1.031 . . . . 0.0 109.955 -174.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.9 t -92.09 141.74 28.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.402 0.62 . . . . 0.0 109.509 168.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.3 mp . . . . . 0 CA--C 1.534 0.363 0 C-N-CA 124.689 1.196 . . . . 0.0 109.117 172.626 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 60.7 t . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -141.29 -3.29 1.2 Allowed 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 116.057 1.873 . . . . 0.0 116.057 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 43.3 mt 44.52 59.82 13.04 Favored Pre-proline 0 CA--C 1.553 1.083 0 C-N-CA 125.995 1.718 . . . . 0.0 114.756 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -58.65 -17.79 37.16 Favored 'Trans proline' 0 CA--C 1.557 1.627 0 N-CA-C 118.784 2.571 . . . . 0.0 118.784 -177.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_exo -76.01 -159.76 0.1 OUTLIER 'Trans proline' 0 C--N 1.362 1.256 0 CA-C-N 124.044 2.48 . . . . 0.0 113.864 176.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -59.04 -7.73 1.2 Allowed 'General case' 0 N--CA 1.479 0.982 0 O-C-N 120.064 -1.647 . . . . 0.0 115.146 174.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -60.32 -15.41 25.19 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.365 1.466 . . . . 0.0 114.524 172.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 34.7 m -117.84 3.2 7.34 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 173.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 43.8 p -96.15 4.03 52.79 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.181 0.992 . . . . 0.0 113.21 178.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -75.09 -179.37 4.31 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.286 1.034 . . . . 0.0 112.029 177.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -63.34 -41.36 98.87 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 121.358 -0.839 . . . . 0.0 112.827 -169.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 44.7 mt -136.98 139.33 44.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 124.82 1.248 . . . . 0.0 109.779 171.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -127.73 135.52 50.27 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.469 1.108 . . . . 0.0 110.243 168.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -134.46 155.11 50.92 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.746 1.218 . . . . 0.0 111.693 176.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -132.79 94.29 3.36 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.51 1.124 . . . . 0.0 109.881 175.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 28.3 m95 -91.0 100.92 13.7 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.546 0.738 . . . . 0.0 109.534 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -85.15 113.28 21.42 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.281 0.632 . . . . 0.0 110.084 -174.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 66.7 mt -121.23 170.25 9.77 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.506 1.522 . . . . 0.0 112.277 -174.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 25.2 mp0 -64.65 164.55 11.78 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.08 1.752 . . . . 0.0 111.366 172.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -113.66 99.89 50.85 Favored Pre-proline 0 CA--C 1.547 0.853 0 C-N-CA 125.295 1.438 . . . . 0.0 111.474 -178.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -74.23 -15.02 23.0 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 123.59 2.86 . . . . 0.0 116.46 -173.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -59.8 107.92 0.68 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.047 0.939 . . . . 0.0 111.514 -175.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.16 13.14 74.91 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 124.071 0.843 . . . . 0.0 114.831 -177.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -91.93 -105.74 0.11 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.726 1.21 . . . . 0.0 111.054 178.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.1 t -158.69 167.8 28.55 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.802 1.641 . . . . 0.0 110.281 173.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 81.6 mt -59.04 -35.55 73.51 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.494 1.118 . . . . 0.0 112.851 178.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -59.67 -36.25 76.06 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.529 0.732 . . . . 0.0 111.958 173.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 91.4 t -78.32 -35.39 19.49 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 O-C-N 122.068 -0.395 . . . . 0.0 110.654 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -62.43 -44.32 96.69 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.782 -0.574 . . . . 0.0 110.92 169.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -60.37 -41.54 93.93 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.088 1.355 . . . . 0.0 112.001 175.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 52.6 m -60.51 -43.41 97.1 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.463 1.105 . . . . 0.0 111.575 176.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.46 -48.53 66.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 O-C-N 121.189 -0.944 . . . . 0.0 112.358 172.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 -52.32 -47.52 65.94 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 126.061 1.744 . . . . 0.0 112.15 -178.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -61.87 -37.52 94.49 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 123.745 0.688 . . . . 0.0 113.305 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -71.85 -48.63 44.69 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 117.83 0.815 . . . . 0.0 111.077 175.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 60.4 t -53.24 -44.38 52.96 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.309 0 CA-C-N 119.679 1.127 . . . . 0.0 111.224 174.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -56.94 -54.92 41.19 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.794 0.838 . . . . 0.0 111.214 174.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -65.35 -37.51 87.27 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 118.753 -0.641 . . . . 0.0 112.711 -175.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -63.93 -44.13 93.8 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.473 1.033 . . . . 0.0 110.8 176.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 12.2 t -61.52 -49.76 83.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-O 117.676 -1.154 . . . . 0.0 113.049 172.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -58.58 -36.29 73.74 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 121.05 1.75 . . . . 0.0 112.546 178.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.7 -20.56 59.81 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 178.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 54.8 tp -89.56 -47.94 7.64 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.3 1.44 . . . . 0.0 111.679 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 11.0 pt -64.46 -27.96 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 CA-C-N 119.476 1.035 . . . . 0.0 112.866 -177.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.19 -18.1 63.87 Favored 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 174.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -88.71 -40.1 13.5 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.851 1.26 . . . . 0.0 112.983 175.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.256 1.6 pp -106.27 -1.41 9.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 N-CA-C 116.813 2.153 . . . . 0.0 116.813 -169.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 66.0 p . . . . . 0 C--O 1.256 1.405 0 CA-C-N 120.042 1.292 . . . . 0.0 113.866 176.403 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.478 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 19.8 ttt . . . . . 0 N--CA 1.489 1.477 0 CA-C-O 119.386 -0.34 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -128.91 166.42 19.15 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 125.153 1.381 . . . . 0.0 112.105 173.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.409 ' HB2' ' HE2' ' A' ' 3' ' ' LYS . 1.4 mppt? -105.28 137.89 42.35 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.633 1.173 . . . . 0.0 111.721 -178.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.6 t -124.95 139.95 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 124.82 1.248 . . . . 0.0 110.053 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.0 tpp -133.09 133.66 43.26 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.86 0.864 . . . . 0.0 109.86 -178.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -104.03 139.59 38.93 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.485 0.714 . . . . 0.0 111.584 -176.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.4 t -120.55 128.69 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 126.805 2.042 . . . . 0.0 110.602 174.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.6 t -127.13 165.65 19.14 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.406 1.483 . . . . 0.0 108.305 169.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -34.67 78.21 Favored 'General case' 0 N--CA 1.485 1.292 0 O-C-N 120.776 -1.202 . . . . 0.0 112.788 -172.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.274 0.2 OUTLIER -133.29 9.28 4.04 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 117.439 2.385 . . . . 0.0 117.439 173.401 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 51.64 31.5 7.92 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 127.255 2.222 . . . . 0.0 116.427 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.0 p -87.42 -35.87 18.05 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.413 1.485 . . . . 0.0 112.873 174.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.3 p -144.75 174.76 10.71 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.443 1.897 . . . . 0.0 110.941 -169.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.1 mtm-85 56.29 -76.41 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 127.065 2.146 . . . . 0.0 114.399 -173.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.7 p -45.63 -42.9 11.87 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 126.82 2.048 . . . . 0.0 114.367 176.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -70.46 -36.07 73.69 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.022 0.529 . . . . 0.0 111.135 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.4 mtp -74.26 -32.64 63.01 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.592 1.157 . . . . 0.0 111.632 176.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.29 -44.13 95.92 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.283 1.033 . . . . 0.0 111.457 171.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -61.26 -42.81 99.27 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.242 0.617 . . . . 0.0 111.077 170.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.94 -49.12 60.05 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 125.6 1.572 . . . . 0.0 114.841 172.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -70.42 -46.38 64.06 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 120.725 -1.456 . . . . 0.0 111.616 176.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.47 -40.38 96.95 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -176.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -64.12 -26.42 68.53 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 119.776 1.171 . . . . 0.0 113.113 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.2 m -89.82 -52.56 4.92 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.823 1.649 . . . . 0.0 112.062 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 74.1 mt -82.24 -31.58 30.14 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.825 1.25 . . . . 0.0 112.008 -172.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -96.42 11.51 66.92 Favored Glycine 0 CA--C 1.526 0.729 0 C-N-CA 126.131 1.824 . . . . 0.0 114.151 175.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.72 113.05 0.81 Allowed 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 119.815 1.807 . . . . 0.0 112.727 -179.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.12 -17.38 17.84 Favored Glycine 0 CA--C 1.538 1.47 0 C-N-CA 125.131 1.348 . . . . 0.0 114.953 -176.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.478 ' O ' ' HA ' ' A' ' 1' ' ' MET . 29.4 mtpp -78.8 -38.2 38.87 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.165 1.386 . . . . 0.0 110.356 169.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.4 pp -144.42 169.51 9.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 125.179 1.392 . . . . 0.0 112.89 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -123.72 142.6 50.93 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.95 1.3 . . . . 0.0 108.142 168.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -135.81 151.63 29.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 N-CA-C 115.216 1.561 . . . . 0.0 115.216 -169.411 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.6 m -140.72 147.95 39.98 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.653 1.581 . . . . 0.0 109.316 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.3 t -115.55 140.06 49.51 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.14 0.976 . . . . 0.0 112.312 173.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 14.3 p -153.12 -178.27 6.83 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.593 1.157 . . . . 0.0 112.644 175.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -153.92 166.09 31.84 Favored Glycine 0 N--CA 1.466 0.686 0 O-C-N 120.243 -1.536 . . . . 0.0 112.59 169.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.434 HD23 ' H ' ' A' ' 37' ' ' LEU 0.26 0.6 OUTLIER -66.85 -11.23 54.94 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 118.257 1.028 . . . . 0.0 113.481 176.874 . . . . . . . . 4 4 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -142.52 165.85 26.27 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 127.621 2.368 . . . . 0.0 108.113 168.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.2 p -125.44 118.35 25.65 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.121 0.968 . . . . 0.0 111.953 176.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.5 t -99.71 -125.23 0.16 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.628 1.571 . . . . 0.0 109.43 175.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.0 146.12 48.73 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 127.574 2.349 . . . . 0.0 109.543 170.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -58.79 133.43 23.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 CA-C-N 119.049 0.841 . . . . 0.0 109.544 169.424 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -74.45 128.85 85.14 Favored Pre-proline 0 CA--C 1.534 0.365 0 CA-C-O 119.077 -0.487 . . . . 0.0 110.357 -176.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -72.33 -28.03 15.6 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 CA-C-N 120.144 1.087 . . . . 0.0 111.998 -171.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.0 m -72.9 -27.71 62.04 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.49 -0.756 . . . . 0.0 111.64 175.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.73 -48.41 79.69 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 121.0 -1.062 . . . . 0.0 111.703 173.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.6 mt -57.8 -46.84 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 123.508 0.723 . . . . 0.0 109.944 175.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.2 -37.27 79.73 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 9.0 mmt -77.56 -28.61 51.85 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.502 1.121 . . . . 0.0 111.876 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 84.0 mmm -75.73 -29.68 58.99 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.989 0.813 . . . . 0.0 111.797 169.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -68.21 -24.22 64.91 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.066 -1.021 . . . . 0.0 112.752 174.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -62.41 -28.31 69.7 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.727 1.149 . . . . 0.0 112.785 173.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.0 m -102.15 10.15 8.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 125.663 1.585 . . . . 0.0 112.54 176.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.59 22.56 78.3 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 125.084 1.326 . . . . 0.0 115.198 176.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 65.9 mt -108.85 138.23 36.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 125.201 1.401 . . . . 0.0 110.555 -176.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -107.0 125.0 50.43 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.41 1.084 . . . . 0.0 113.056 -176.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.3 pt -130.54 23.57 1.84 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.931 0 C-N-CA 125.687 1.595 . . . . 0.0 112.125 169.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.3 t -76.5 -28.66 56.52 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 120.526 -1.359 . . . . 0.0 112.731 -178.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -79.01 8.89 41.71 Favored Glycine 0 CA--C 1.538 1.469 0 C-N-CA 125.396 1.474 . . . . 0.0 115.97 -178.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -134.24 160.4 37.97 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.281 1.433 . . . . 0.0 111.137 -178.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.2 t -142.92 -172.97 3.77 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 123.545 0.738 . . . . 0.0 109.67 171.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 25.2 m -61.4 134.5 56.97 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 124.477 1.111 . . . . 0.0 113.162 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -137.47 145.35 48.97 Favored Pre-proline 0 CA--C 1.549 0.925 0 C-N-CA 124.185 0.994 . . . . 0.0 113.23 171.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -86.92 144.75 7.4 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 123.368 2.712 . . . . 0.0 113.998 -170.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 11.1 tt -54.72 -34.54 30.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 127.475 2.31 . . . . 0.0 112.019 178.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -63.82 -23.19 67.26 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.545 1.138 . . . . 0.0 113.955 -177.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.83 -13.28 39.69 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 177.43 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -98.1 171.47 8.22 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.119 1.368 . . . . 0.0 113.55 -170.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -122.86 83.9 2.19 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.256 1.422 . . . . 0.0 113.076 -169.468 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.89 -28.12 55.17 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 -177.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -58.38 -31.51 67.72 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.462 1.505 . . . . 0.0 113.832 178.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -86.02 -33.44 21.04 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -70.02 114.62 8.37 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -60.61 -32.12 71.27 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.744 -0.597 . . . . 0.0 111.084 176.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 93.6 t -135.73 140.17 44.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 125.407 1.483 . . . . 0.0 110.361 -176.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 43.0 t -128.76 136.18 60.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.311 1.044 . . . . 0.0 110.215 176.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 31.5 mm -127.95 113.46 30.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 C-N-CA 123.915 0.886 . . . . 0.0 110.033 -170.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 21.2 t -84.02 145.89 28.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.452 0.644 . . . . 0.0 109.927 169.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 mp . . . . . 0 CA--C 1.538 0.519 0 C-N-CA 125.316 1.446 . . . . 0.0 108.733 172.553 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 58.1 t . . . . . 0 N--CA 1.477 0.922 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -131.46 -0.77 3.96 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 114.887 1.44 . . . . 0.0 114.887 -177.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 44.8 mt 42.87 64.5 6.26 Favored Pre-proline 0 N--CA 1.481 1.118 0 C-N-CA 126.207 1.803 . . . . 0.0 114.767 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -50.71 -27.95 21.38 Favored 'Trans proline' 0 CA--C 1.556 1.609 0 C-N-CA 123.504 2.803 . . . . 0.0 119.314 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -76.51 -156.87 0.06 OUTLIER 'Trans proline' 0 CA--C 1.547 1.126 0 C-N-CA 122.72 2.28 . . . . 0.0 114.927 -177.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -55.39 -3.7 0.07 Allowed 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 126.302 1.841 . . . . 0.0 115.237 169.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -76.33 5.1 7.57 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.672 1.989 . . . . 0.0 115.271 174.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 34.6 m -134.52 11.77 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 124.94 1.296 . . . . 0.0 113.446 170.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 82.4 p -97.91 9.95 41.47 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 125.013 1.325 . . . . 0.0 112.851 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 19.6 mp0 -59.44 174.06 0.46 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 129.008 2.923 . . . . 0.0 113.811 177.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -68.42 -40.86 81.07 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.342 169.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 36.1 mt -136.29 138.01 47.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 125.12 1.368 . . . . 0.0 109.991 171.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -125.53 136.33 53.21 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.489 1.116 . . . . 0.0 109.116 168.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -130.34 158.22 40.41 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.237 1.015 . . . . 0.0 112.073 177.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -136.13 92.19 2.76 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.621 1.169 . . . . 0.0 109.719 171.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 50.5 m95 -88.04 97.51 11.01 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.611 0.72 . . . . 0.0 110.156 -178.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -80.44 123.79 28.35 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.389 0.676 . . . . 0.0 110.738 -172.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 77.0 mt -142.54 168.81 18.85 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.18 1.792 . . . . 0.0 110.4 -178.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -73.42 178.14 4.79 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 122.249 1.023 . . . . 0.0 112.677 175.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -119.57 98.14 49.99 Favored Pre-proline 0 CA--C 1.545 0.775 0 C-N-CA 124.607 1.163 . . . . 0.0 113.249 -169.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -71.18 -15.51 31.86 Favored 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 123.968 3.112 . . . . 0.0 116.904 -172.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -56.61 100.77 0.05 OUTLIER 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.797 1.639 . . . . 0.0 111.512 -177.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 86.14 14.27 67.07 Favored Glycine 0 CA--C 1.54 1.628 0 C-N-CA 124.468 1.033 . . . . 0.0 115.609 -177.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 -90.05 -103.56 0.09 Allowed 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 118.897 1.349 . . . . 0.0 111.782 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 60.7 p -154.35 163.78 39.63 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 126.282 1.833 . . . . 0.0 110.633 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 49.6 mt -63.07 -37.27 86.54 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.497 -0.752 . . . . 0.0 111.723 177.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -59.96 -39.48 85.77 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.703 -0.623 . . . . 0.0 112.115 174.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 74.9 t -70.98 -38.29 71.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 O-C-N 121.252 -0.905 . . . . 0.0 111.378 174.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -60.58 -47.38 86.45 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 119.762 1.165 . . . . 0.0 111.586 172.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -61.85 -38.82 89.67 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.631 1.173 . . . . 0.0 111.764 177.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 58.2 m -62.46 -38.84 91.35 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.186 0.994 . . . . 0.0 111.888 176.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 42.0 t -75.02 -46.2 40.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 O-C-N 121.588 -0.695 . . . . 0.0 111.577 174.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -52.07 -49.13 64.13 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 126.095 1.758 . . . . 0.0 112.171 -177.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -61.26 -35.22 90.59 Favored Glycine 0 N--CA 1.474 1.225 0 C-N-CA 123.466 0.555 . . . . 0.0 113.4 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -78.0 -46.58 20.61 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 121.934 -0.745 . . . . 0.0 111.482 177.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 66.1 t -54.43 -41.64 54.64 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 O-C-N 121.146 -0.971 . . . . 0.0 111.152 173.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 36.1 tttm -58.04 -57.12 14.22 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.483 1.113 . . . . 0.0 111.703 172.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -64.5 -35.82 82.18 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 118.898 -0.572 . . . . 0.0 112.154 -174.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -63.34 -42.24 98.92 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 119.161 0.892 . . . . 0.0 110.1 177.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 10.0 t -64.01 -49.03 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-O 117.564 -1.208 . . . . 0.0 113.449 171.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -58.61 -36.17 73.61 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 121.294 1.861 . . . . 0.0 112.824 177.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.81 -26.01 60.4 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 112.762 0.652 . . . . 0.0 112.762 178.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 53.2 tp -81.34 -49.04 11.18 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 124.894 1.278 . . . . 0.0 111.649 178.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.6 pt -64.66 -27.56 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-N 119.231 0.923 . . . . 0.0 112.488 -175.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.03 -21.83 65.0 Favored 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 174.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -85.02 -40.52 16.77 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.63 1.172 . . . . 0.0 113.169 176.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.282 1.9 pp -108.35 4.82 9.56 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 N-CA-C 116.224 1.935 . . . . 0.0 116.224 -169.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 C--O 1.253 1.238 0 C-N-CA 124.415 1.086 . . . . 0.0 111.841 169.752 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.454 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 56.6 ttm . . . . . 0 N--CA 1.488 1.473 0 CA-C-O 119.852 -0.118 . . . . 0.0 111.29 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -129.6 167.49 17.87 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 125.928 1.691 . . . . 0.0 110.874 169.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -107.82 139.1 42.92 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.978 1.311 . . . . 0.0 111.106 -174.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.9 t -123.65 139.74 49.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 124.584 1.153 . . . . 0.0 109.719 177.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.5 tpp -133.25 133.89 43.24 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 123.886 0.875 . . . . 0.0 110.32 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -107.8 130.93 54.94 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 124.164 0.986 . . . . 0.0 110.866 -175.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.4 t -110.37 128.98 66.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 126.887 2.075 . . . . 0.0 109.448 172.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 32.4 t -130.2 168.05 17.45 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.099 0.96 . . . . 0.0 110.749 170.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.65 -30.05 67.67 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -169.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.315 0.1 OUTLIER -135.33 15.77 3.45 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 115.852 1.797 . . . . 0.0 115.852 169.887 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 49.31 37.75 12.21 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 127.558 2.343 . . . . 0.0 115.466 -177.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.3 p -99.83 -36.8 9.31 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 -171.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.5 p -135.03 -74.93 0.46 Allowed 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -169.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.2 mtt85 -56.78 -48.12 78.6 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 -169.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.1 p -66.98 -32.63 73.99 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.798 0.839 . . . . 0.0 112.303 178.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -72.17 -40.23 68.1 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.262 0.625 . . . . 0.0 111.014 178.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 43.3 mtt -63.51 -38.88 92.83 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.719 0.808 . . . . 0.0 111.958 170.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.19 -44.06 89.62 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.33 0.652 . . . . 0.0 111.37 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -61.86 -41.61 98.05 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 118.814 -0.612 . . . . 0.0 111.396 169.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.99 -48.71 71.45 Favored Glycine 0 N--CA 1.471 0.98 0 C-N-CA 124.421 1.01 . . . . 0.0 113.968 176.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -69.91 -44.58 69.37 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 118.634 1.217 . . . . 0.0 111.593 175.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.4 -40.54 89.68 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -177.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -67.24 -25.06 65.9 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-N 119.61 1.096 . . . . 0.0 113.112 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.4 m -86.27 -57.89 2.84 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.692 1.597 . . . . 0.0 112.613 175.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 75.5 mt -80.94 -25.66 37.25 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.201 1.4 . . . . 0.0 112.432 -172.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -99.6 6.43 59.01 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 126.568 2.033 . . . . 0.0 114.542 177.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.47 114.16 1.16 Allowed 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 119.741 1.77 . . . . 0.0 112.543 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.0 -13.5 56.6 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 124.538 1.066 . . . . 0.0 114.615 -178.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 1' ' ' MET . 25.8 mtpt -89.19 -38.99 13.86 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.68 1.592 . . . . 0.0 110.987 169.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 pp -140.59 173.35 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 124.687 1.195 . . . . 0.0 113.616 -176.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -129.26 141.15 51.2 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.427 1.491 . . . . 0.0 108.122 168.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -138.12 151.04 24.84 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 -169.35 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.5 m -140.08 144.77 36.99 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.269 1.428 . . . . 0.0 110.232 177.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.0 t -111.06 136.03 50.68 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.932 1.693 . . . . 0.0 111.894 172.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 14.3 p -149.76 -179.48 7.15 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.572 1.549 . . . . 0.0 112.082 176.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -149.2 167.04 29.53 Favored Glycine 0 N--CA 1.466 0.68 0 O-C-N 119.914 -1.741 . . . . 0.0 112.358 169.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.413 HD21 ' H ' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -64.45 -13.18 50.26 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 118.695 1.247 . . . . 0.0 113.392 175.51 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -153.56 159.47 42.19 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 127.807 2.443 . . . . 0.0 108.167 168.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.9 p -113.38 143.65 44.1 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.694 1.198 . . . . 0.0 112.256 -177.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 35.2 t -128.53 -101.47 0.33 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.618 1.167 . . . . 0.0 110.548 170.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.67 158.3 44.05 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 125.536 1.534 . . . . 0.0 110.892 170.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.2 t -61.42 130.17 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 CA-C-N 119.322 0.964 . . . . 0.0 108.937 170.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -66.87 124.33 88.37 Favored Pre-proline 0 CA--C 1.531 0.219 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 175.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -68.58 -25.68 34.49 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 CA-C-N 120.233 1.119 . . . . 0.0 112.092 -169.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.9 m -69.76 -29.3 66.61 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.134 -0.979 . . . . 0.0 111.853 172.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.33 -45.61 92.84 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 120.611 -1.306 . . . . 0.0 111.717 173.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.2 mt -58.87 -45.94 91.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 123.471 0.708 . . . . 0.0 110.19 174.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.25 -37.28 79.92 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 178.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 9.9 mmt -75.83 -27.31 57.82 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.496 1.119 . . . . 0.0 112.164 179.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 85.3 mmm -76.49 -30.64 57.33 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.123 0.874 . . . . 0.0 111.531 169.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -67.63 -24.53 65.47 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.085 -1.01 . . . . 0.0 112.971 174.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -61.54 -31.56 71.58 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 119.647 1.112 . . . . 0.0 112.905 173.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.8 m -97.34 9.77 6.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.174 1.389 . . . . 0.0 112.403 176.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.02 20.97 80.18 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 125.032 1.301 . . . . 0.0 114.936 177.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 68.7 mt -105.95 135.38 44.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 125.127 1.371 . . . . 0.0 110.074 -177.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -103.2 119.77 39.48 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.68 0.792 . . . . 0.0 112.536 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.6 pt -122.14 12.35 5.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 125.031 1.332 . . . . 0.0 112.583 169.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.3 t -66.66 -27.24 67.51 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 120.677 -1.265 . . . . 0.0 112.782 -176.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -75.91 0.47 62.05 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 124.784 1.183 . . . . 0.0 115.329 173.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -91.01 154.77 19.19 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 119.403 1.601 . . . . 0.0 110.848 175.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 28.2 p -146.87 152.37 38.6 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 128.806 2.842 . . . . 0.0 105.324 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.1 m -78.28 140.36 38.84 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.213 -0.93 . . . . 0.0 113.138 -170.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -138.11 145.68 48.69 Favored Pre-proline 0 N--CA 1.482 1.138 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -90.21 150.17 4.6 Favored 'Trans proline' 0 CA--C 1.541 0.838 0 C-N-CA 123.808 3.005 . . . . 0.0 114.05 -172.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.7 tt -58.11 -36.25 56.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 126.438 1.895 . . . . 0.0 112.003 -178.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -62.62 -21.86 65.97 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 114.363 1.245 . . . . 0.0 114.363 -177.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.89 -13.11 42.84 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 113.758 1.022 . . . . 0.0 113.758 176.566 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -99.4 172.34 7.39 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.219 1.407 . . . . 0.0 113.579 -170.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -123.12 89.7 3.16 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.098 1.359 . . . . 0.0 113.215 -169.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.11 -33.93 28.41 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -178.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -60.83 -24.31 65.77 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.109 1.364 . . . . 0.0 114.338 -177.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -100.67 7.73 43.76 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.717 0.807 . . . . 0.0 113.058 178.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -111.31 98.59 7.6 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 124.154 0.982 . . . . 0.0 108.747 174.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -54.49 -32.28 57.6 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.686 -0.634 . . . . 0.0 111.786 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 42.2 t -127.24 137.09 58.82 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 C-N-CA 124.801 1.24 . . . . 0.0 111.073 174.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.6 t -120.82 138.78 50.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 123.977 0.911 . . . . 0.0 109.848 170.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 29.1 mm -124.95 132.83 70.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 124.619 1.168 . . . . 0.0 109.263 -177.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.3 t -101.14 141.33 34.18 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.688 0.795 . . . . 0.0 109.879 169.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 mp . . . . . 0 N--CA 1.467 0.375 0 C-N-CA 125.732 1.613 . . . . 0.0 109.369 -177.926 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 59.7 t . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -132.82 -6.7 3.16 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 115.429 1.641 . . . . 0.0 115.429 -175.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.2 mt 42.92 65.75 5.05 Favored Pre-proline 0 N--CA 1.483 1.203 0 C-N-CA 126.103 1.761 . . . . 0.0 114.682 -177.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -51.04 -28.65 25.27 Favored 'Trans proline' 0 CA--C 1.554 1.482 0 C-N-CA 123.677 2.918 . . . . 0.0 119.058 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -76.67 -160.84 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 C-N-CA 122.604 2.203 . . . . 0.0 114.679 -176.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -58.97 -8.07 1.28 Allowed 'General case' 0 N--CA 1.477 0.918 0 O-C-N 120.155 -1.591 . . . . 0.0 115.115 175.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 90.6 m95 -59.24 -15.14 13.66 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.549 1.54 . . . . 0.0 114.654 171.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 32.9 m -118.3 4.22 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 124.518 1.127 . . . . 0.0 113.929 174.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 41.7 p -98.62 7.8 45.68 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.71 1.204 . . . . 0.0 113.133 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -77.12 -175.05 3.44 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 124.901 1.28 . . . . 0.0 111.174 176.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -65.24 -39.05 92.17 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 120.48 -1.388 . . . . 0.0 112.237 -171.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 49.4 mt -140.96 137.75 34.46 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 C-N-CA 125.403 1.481 . . . . 0.0 109.004 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -128.6 135.66 49.65 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.174 0.99 . . . . 0.0 109.873 168.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -134.41 154.52 51.33 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.425 1.09 . . . . 0.0 111.759 177.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -128.31 99.25 5.36 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.644 1.178 . . . . 0.0 110.794 177.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 37.9 m0 -89.47 81.21 6.59 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 125.522 1.529 . . . . 0.0 110.377 -176.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -72.43 115.67 11.97 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 122.971 0.508 . . . . 0.0 110.321 179.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 95.2 mt -135.67 166.58 22.91 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.176 1.79 . . . . 0.0 110.154 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -69.81 176.23 3.78 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.684 0.794 . . . . 0.0 112.197 177.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -117.64 97.88 51.18 Favored Pre-proline 0 CA--C 1.545 0.771 0 C-N-CA 124.463 1.105 . . . . 0.0 112.018 -169.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -70.59 -14.99 33.94 Favored 'Trans proline' 0 C--N 1.357 1.017 0 C-N-CA 123.785 2.99 . . . . 0.0 116.612 -171.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -55.11 106.99 0.26 Allowed 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.453 1.501 . . . . 0.0 111.846 -178.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 78.91 14.57 81.86 Favored Glycine 0 CA--C 1.539 1.57 0 N-CA-C 115.203 0.841 . . . . 0.0 115.203 -178.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -90.09 -99.93 0.1 Allowed 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 118.589 1.195 . . . . 0.0 111.049 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.7 t -157.12 166.03 34.4 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 125.707 1.603 . . . . 0.0 110.066 172.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 42.9 mt -59.62 -39.19 83.47 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 124.207 1.003 . . . . 0.0 112.37 178.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -59.04 -35.17 72.85 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.61 -0.681 . . . . 0.0 112.339 174.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 92.5 t -73.73 -38.94 52.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 O-C-N 121.413 -0.804 . . . . 0.0 111.081 175.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -60.39 -46.66 89.2 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 118.705 0.684 . . . . 0.0 111.598 171.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -60.98 -39.34 89.24 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.61 1.164 . . . . 0.0 111.815 176.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 58.8 m -64.29 -39.59 94.23 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.283 1.033 . . . . 0.0 112.118 177.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 53.2 t -72.22 -47.09 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 O-C-N 121.411 -0.805 . . . . 0.0 111.387 172.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -49.96 -49.71 49.28 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 126.473 1.909 . . . . 0.0 112.712 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -62.66 -34.59 90.05 Favored Glycine 0 N--CA 1.476 1.329 0 C-N-CA 123.716 0.674 . . . . 0.0 113.523 -179.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -78.0 -43.38 29.68 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 121.915 -0.756 . . . . 0.0 111.635 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 58.0 t -56.22 -43.0 75.22 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 O-C-N 121.014 -1.054 . . . . 0.0 111.218 170.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -57.87 -54.86 42.18 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.206 1.002 . . . . 0.0 111.654 174.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -65.41 -35.09 79.9 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -174.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 -64.62 -43.76 92.69 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 119.338 0.972 . . . . 0.0 111.065 173.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 20.5 t -58.81 -50.0 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-N 119.497 1.044 . . . . 0.0 113.208 171.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -61.06 -34.92 75.66 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 120.376 1.444 . . . . 0.0 112.417 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.91 -26.79 61.54 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 176.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 52.9 tp -82.82 -45.19 14.61 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.551 1.141 . . . . 0.0 111.956 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 9.6 pt -64.08 -28.89 45.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 O-C-N 120.759 -1.213 . . . . 0.0 112.718 -178.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.08 -21.8 64.04 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 173.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -85.58 -45.7 11.5 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.252 1.421 . . . . 0.0 112.875 175.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.329 1.8 pp -103.12 3.6 10.66 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 N-CA-C 116.375 1.991 . . . . 0.0 116.375 -171.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 42.7 t . . . . . 0 C--O 1.257 1.49 0 CA-C-N 119.94 1.246 . . . . 0.0 111.416 169.464 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.458 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 55.9 ttm . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 111.559 0.207 . . . . 0.0 111.559 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -128.82 165.52 20.83 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 126.121 1.768 . . . . 0.0 110.499 169.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -106.93 139.72 40.88 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.898 1.279 . . . . 0.0 110.886 -176.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.7 t -123.34 140.81 45.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 124.442 1.097 . . . . 0.0 109.941 177.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.1 tpp -133.65 133.95 42.57 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 124.001 0.921 . . . . 0.0 110.174 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -106.4 134.29 49.77 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.083 0.953 . . . . 0.0 111.049 -176.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.4 t -113.43 126.29 70.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 126.695 1.998 . . . . 0.0 109.949 173.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.6 t -122.67 170.78 9.7 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.772 1.629 . . . . 0.0 109.608 170.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.61 -46.44 66.26 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 120.614 -1.304 . . . . 0.0 112.324 -174.161 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.318 0.3 OUTLIER -121.33 8.7 10.26 Favored 'General case' 0 N--CA 1.499 1.98 0 N-CA-C 116.494 2.035 . . . . 0.0 116.494 173.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 54.33 30.47 12.64 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 127.047 2.139 . . . . 0.0 115.662 178.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.3 p -94.81 -45.62 7.24 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.166 1.386 . . . . 0.0 112.781 -178.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.0 t -127.25 -174.24 3.11 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.596 1.958 . . . . 0.0 109.927 177.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 59.65 -75.88 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 126.66 1.984 . . . . 0.0 114.376 -175.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.9 p -63.06 -33.74 76.09 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 125.076 1.351 . . . . 0.0 112.84 -175.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 -69.14 -36.09 77.07 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 121.674 -0.641 . . . . 0.0 111.625 177.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 56.5 mtt -69.28 -36.64 77.27 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.528 0.731 . . . . 0.0 111.37 171.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.51 -43.06 95.26 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.397 0.679 . . . . 0.0 111.278 179.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -62.94 -41.94 99.65 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 118.783 -0.627 . . . . 0.0 111.123 169.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.05 -47.87 77.54 Favored Glycine 0 N--CA 1.473 1.124 0 C-N-CA 124.337 0.97 . . . . 0.0 114.375 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -69.82 -45.49 67.74 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.206 -1.173 . . . . 0.0 111.697 175.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.75 -41.0 92.66 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 -177.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -67.03 -25.04 66.08 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 119.429 1.013 . . . . 0.0 113.34 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.7 m -86.63 -56.95 3.18 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.304 1.441 . . . . 0.0 112.59 175.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 74.6 mt -81.66 -27.45 34.05 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.943 1.297 . . . . 0.0 112.199 -171.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -97.74 7.08 62.96 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 126.183 1.849 . . . . 0.0 114.469 176.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.64 114.65 1.32 Allowed 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 119.903 1.852 . . . . 0.0 112.343 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.08 -14.44 57.29 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.563 1.078 . . . . 0.0 114.496 -178.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.458 ' O ' ' HA ' ' A' ' 1' ' ' MET . 10.9 mtpt -89.46 -38.58 13.95 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.02 1.328 . . . . 0.0 111.245 169.562 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 pp -140.46 173.29 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 124.414 1.085 . . . . 0.0 113.768 -175.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.12 142.07 50.63 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.32 1.448 . . . . 0.0 108.41 168.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -139.27 151.34 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 -169.217 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.9 m -140.76 145.76 36.82 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.516 1.527 . . . . 0.0 110.26 178.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.4 t -112.41 136.37 51.97 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.939 1.696 . . . . 0.0 111.91 172.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 14.0 p -150.24 -178.36 6.47 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.527 1.531 . . . . 0.0 112.323 176.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -152.78 167.12 31.54 Favored Glycine 0 N--CA 1.467 0.733 0 O-C-N 120.188 -1.57 . . . . 0.0 113.095 169.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.74 -17.78 63.36 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 118.168 0.984 . . . . 0.0 112.691 172.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -139.49 163.43 32.55 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 127.118 2.167 . . . . 0.0 108.275 168.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.7 p -140.32 129.02 23.04 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.742 0.817 . . . . 0.0 111.949 -178.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 35.8 t -117.35 -89.15 0.59 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.196 0.999 . . . . 0.0 111.637 177.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.76 155.49 33.15 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.932 2.093 . . . . 0.0 109.746 174.524 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.6 t -60.67 132.82 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 CA-C-N 119.804 1.184 . . . . 0.0 109.048 172.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -66.69 123.91 87.09 Favored Pre-proline 0 C--O 1.233 0.215 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 175.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -68.41 -26.0 35.23 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 CA-C-N 120.361 1.165 . . . . 0.0 111.85 -169.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.0 m -70.04 -28.81 65.77 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.243 -0.91 . . . . 0.0 111.749 173.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.47 -45.72 93.04 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 120.542 -1.349 . . . . 0.0 111.672 173.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.3 mt -57.28 -47.21 84.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 123.356 0.663 . . . . 0.0 110.161 172.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.58 -35.08 75.21 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 10.4 mmt -76.52 -33.88 58.58 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.258 1.023 . . . . 0.0 111.814 178.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 87.3 mmm -68.41 -29.95 68.74 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.334 -0.854 . . . . 0.0 111.97 170.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -68.1 -19.89 64.89 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 121.17 -0.957 . . . . 0.0 113.081 173.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -62.42 -29.07 70.23 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 119.965 1.257 . . . . 0.0 112.823 173.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 31.2 m -103.13 11.24 8.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 125.278 1.431 . . . . 0.0 112.493 176.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.43 18.33 76.86 Favored Glycine 0 CA--C 1.538 1.52 0 C-N-CA 124.723 1.154 . . . . 0.0 115.004 178.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 62.6 mt -98.71 136.22 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 125.017 1.327 . . . . 0.0 109.714 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -106.82 123.49 48.23 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.445 0.698 . . . . 0.0 112.012 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 11.2 pt -121.87 14.36 5.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.06 1.344 . . . . 0.0 112.716 169.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.0 m -63.59 -27.35 69.19 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 120.761 -1.212 . . . . 0.0 113.345 -174.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -79.25 -0.59 83.64 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 124.925 1.25 . . . . 0.0 115.089 176.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -87.62 154.27 20.73 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 119.219 1.509 . . . . 0.0 110.738 176.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 24.8 p -146.84 152.89 39.46 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 129.068 2.947 . . . . 0.0 105.122 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 36.5 m -78.59 141.8 37.78 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 121.475 -0.766 . . . . 0.0 112.599 -171.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -140.31 146.64 46.56 Favored Pre-proline 0 N--CA 1.478 0.951 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -89.65 147.0 4.96 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.457 2.771 . . . . 0.0 113.472 -171.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.2 tt -55.01 -35.54 35.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 126.555 1.942 . . . . 0.0 111.757 177.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -60.56 -23.76 64.89 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.926 1.291 . . . . 0.0 114.449 -178.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.43 -13.37 35.05 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 178.154 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -97.06 170.88 8.83 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.06 1.344 . . . . 0.0 113.797 -169.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -120.96 88.2 2.89 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.085 1.354 . . . . 0.0 113.034 -169.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.49 -34.26 24.46 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -177.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -60.71 -24.57 65.76 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 -177.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -98.11 5.49 48.56 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 177.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -109.92 99.55 8.66 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.16 0.984 . . . . 0.0 108.495 175.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -54.41 -33.08 58.68 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.674 -0.641 . . . . 0.0 111.945 178.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 40.4 t -126.16 137.23 58.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 C-N-CA 124.775 1.23 . . . . 0.0 111.128 173.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 49.7 t -120.67 138.38 51.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.016 0.926 . . . . 0.0 109.48 169.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 28.5 mm -126.29 124.73 66.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 124.224 1.01 . . . . 0.0 109.248 -177.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.6 t -93.01 143.83 25.85 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 168.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.9 mp . . . . . 0 CA--C 1.533 0.327 0 C-N-CA 125.363 1.465 . . . . 0.0 109.695 175.805 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 43.2 t . . . . . 0 N--CA 1.476 0.853 0 CA-C-O 120.333 0.111 . . . . 0.0 111.258 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -131.52 -6.24 3.71 Favored 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 115.405 1.632 . . . . 0.0 115.405 -176.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 61.7 mt 42.45 65.58 4.96 Favored Pre-proline 0 N--CA 1.484 1.255 0 C-N-CA 125.993 1.717 . . . . 0.0 114.863 -176.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -50.27 -28.88 21.53 Favored 'Trans proline' 0 CA--C 1.553 1.427 0 C-N-CA 123.627 2.885 . . . . 0.0 119.202 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -76.37 -160.58 0.11 Allowed 'Trans proline' 0 CA--C 1.546 1.124 0 C-N-CA 122.637 2.225 . . . . 0.0 114.674 -177.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -59.22 -8.0 1.44 Allowed 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 115.163 1.542 . . . . 0.0 115.163 175.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -59.3 -15.49 16.24 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.844 1.658 . . . . 0.0 114.671 171.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.1 m -117.93 3.26 7.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 174.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 40.9 p -97.78 7.99 45.46 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.384 1.074 . . . . 0.0 113.307 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -76.72 -174.56 3.05 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.684 1.194 . . . . 0.0 111.397 176.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -65.48 -38.99 91.4 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 120.57 -1.331 . . . . 0.0 112.089 -171.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 44.5 mt -141.69 137.03 31.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 125.408 1.483 . . . . 0.0 109.003 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -128.75 134.47 48.43 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.251 1.02 . . . . 0.0 109.772 169.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -133.48 156.45 47.72 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.63 1.172 . . . . 0.0 111.709 177.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -129.68 93.65 3.57 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.519 1.128 . . . . 0.0 110.977 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 32.8 m0 -90.56 77.11 6.48 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.822 1.649 . . . . 0.0 110.924 -176.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -68.36 130.3 42.47 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 121.722 -0.611 . . . . 0.0 110.868 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 57.7 mt -141.46 170.73 15.17 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.109 1.764 . . . . 0.0 110.094 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -72.64 177.65 4.6 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.779 0.832 . . . . 0.0 112.307 173.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -116.07 99.3 52.51 Favored Pre-proline 0 CA--C 1.542 0.649 0 O-C-N 120.755 -1.216 . . . . 0.0 112.034 -175.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -67.28 -15.47 46.0 Favored 'Trans proline' 0 C--N 1.354 0.858 0 C-N-CA 124.003 3.135 . . . . 0.0 116.346 -176.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -54.76 107.53 0.3 Allowed 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.778 1.231 . . . . 0.0 111.965 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 79.96 15.18 79.57 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 124.167 0.889 . . . . 0.0 115.058 -178.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -93.17 -99.77 0.13 Allowed 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 118.536 1.168 . . . . 0.0 111.771 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 59.7 p -156.99 162.86 39.59 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 126.463 1.905 . . . . 0.0 110.566 178.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 49.3 mt -63.96 -36.49 84.14 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 121.582 -0.699 . . . . 0.0 111.748 177.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -59.06 -38.64 79.88 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.567 -0.708 . . . . 0.0 112.554 172.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.4 t -70.81 -39.18 75.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 O-C-N 121.271 -0.893 . . . . 0.0 111.733 173.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -59.58 -45.66 91.2 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 119.341 0.973 . . . . 0.0 111.762 171.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 80.6 mtt180 -61.79 -39.67 92.54 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.762 1.225 . . . . 0.0 112.026 176.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 69.1 m -63.12 -37.37 86.93 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.419 1.088 . . . . 0.0 111.816 177.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 38.4 t -72.94 -48.88 42.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 O-C-N 121.4 -0.812 . . . . 0.0 111.323 170.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 60.1 ttp85 -50.83 -48.67 59.77 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.956 1.702 . . . . 0.0 112.571 -178.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -63.31 -36.32 93.25 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 123.503 0.573 . . . . 0.0 113.906 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -77.16 -42.47 37.63 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 118.04 0.92 . . . . 0.0 111.789 178.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 54.2 t -56.99 -41.99 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 O-C-N 121.287 -0.883 . . . . 0.0 111.365 171.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -57.81 -56.77 17.61 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.895 0.878 . . . . 0.0 111.644 173.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -63.46 -36.52 84.01 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -174.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 15.5 mmp_? -63.45 -45.38 91.12 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 118.828 0.74 . . . . 0.0 110.767 175.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 24.1 t -60.35 -48.22 89.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 CA-C-O 117.944 -1.027 . . . . 0.0 113.295 172.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -60.78 -34.96 75.27 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 120.685 1.584 . . . . 0.0 112.161 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.26 -26.61 61.17 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 177.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 57.4 tp -79.75 -49.85 11.44 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 124.567 1.147 . . . . 0.0 112.139 176.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 8.9 pt -63.3 -27.15 42.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 O-C-N 121.196 -0.94 . . . . 0.0 112.322 -177.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.64 -17.92 63.55 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 176.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -103.17 -33.98 9.01 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 115.283 1.586 . . . . 0.0 115.283 175.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.317 2.0 pp -99.46 5.62 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 N-CA-C 115.818 1.784 . . . . 0.0 115.818 179.34 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 61.0 p . . . . . 0 C--O 1.255 1.35 0 CA-C-N 119.8 1.182 . . . . 0.0 113.617 169.899 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.462 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 51.7 ttm . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -129.22 165.83 20.58 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 126.226 1.81 . . . . 0.0 110.496 169.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -107.58 141.37 39.15 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.052 1.341 . . . . 0.0 110.682 -175.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.7 t -125.06 141.23 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 123.983 0.913 . . . . 0.0 110.092 177.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 7.3 tpp -132.87 136.04 45.96 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.094 0.958 . . . . 0.0 110.532 178.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -113.37 110.74 20.82 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.761 1.224 . . . . 0.0 111.495 -174.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.4 t -87.63 145.84 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 126.653 1.981 . . . . 0.0 111.482 171.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.9 t -144.54 -175.96 4.86 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.749 2.019 . . . . 0.0 107.677 168.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -63.45 -66.02 0.6 Allowed 'General case' 0 N--CA 1.487 1.377 0 CA-C-N 121.362 1.892 . . . . 0.0 111.256 173.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.73 2.82 16.2 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 116.121 1.897 . . . . 0.0 116.121 -170.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 53.18 32.51 13.41 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 127.298 2.239 . . . . 0.0 114.542 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.7 p -85.53 -40.54 16.21 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.736 1.214 . . . . 0.0 112.648 -177.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.1 t -137.1 -153.08 0.47 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 127.184 2.194 . . . . 0.0 109.318 178.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 48.49 -88.96 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.877 0 C-N-CA 126.896 2.078 . . . . 0.0 113.454 177.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.8 p -44.84 -38.77 4.79 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 126.788 2.035 . . . . 0.0 114.857 170.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -67.85 -38.95 83.82 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 121.642 -0.661 . . . . 0.0 112.193 175.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 40.5 mtt -65.88 -35.18 79.93 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 121.16 -0.963 . . . . 0.0 111.549 172.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.63 -45.05 88.48 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.721 -0.612 . . . . 0.0 111.635 177.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -62.76 -39.4 94.03 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.843 -0.535 . . . . 0.0 110.737 169.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.85 -45.2 80.87 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 125.765 1.65 . . . . 0.0 114.888 175.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -82.48 -38.57 23.7 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.407 1.603 . . . . 0.0 112.898 175.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.11 -33.43 75.45 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 120.922 -1.111 . . . . 0.0 112.71 -178.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -64.39 -29.61 70.67 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 119.469 1.032 . . . . 0.0 113.214 177.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.6 p -91.55 -54.83 3.73 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.218 1.407 . . . . 0.0 112.841 177.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.0 mt -74.51 -24.36 58.97 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.962 1.305 . . . . 0.0 112.539 -175.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -101.37 6.27 55.65 Favored Glycine 0 CA--C 1.53 0.969 0 C-N-CA 126.254 1.883 . . . . 0.0 114.92 176.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.99 114.02 1.58 Allowed 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 119.876 1.838 . . . . 0.0 112.552 -176.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.5 -12.59 58.53 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.454 1.026 . . . . 0.0 114.338 -178.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 1' ' ' MET . 30.1 mtpt -88.61 -42.26 12.14 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.585 1.554 . . . . 0.0 110.824 169.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.3 pp -139.97 174.0 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.906 1.282 . . . . 0.0 113.237 -174.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -129.08 140.55 51.54 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.178 1.391 . . . . 0.0 108.637 168.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.41 152.25 27.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 -169.341 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.9 m -146.33 152.23 38.78 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.833 1.653 . . . . 0.0 109.455 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 83.8 p -125.42 150.91 46.85 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 120.687 -1.258 . . . . 0.0 111.37 169.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 16.3 p -154.66 -178.42 7.17 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.797 1.239 . . . . 0.0 111.226 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -146.09 163.95 28.32 Favored Glycine 0 C--O 1.224 -0.484 0 O-C-N 120.896 -1.128 . . . . 0.0 112.707 169.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.77 -13.89 56.93 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 118.54 1.17 . . . . 0.0 113.125 176.113 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -141.33 173.55 11.39 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 127.173 2.189 . . . . 0.0 108.82 168.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.3 t -132.71 142.14 48.91 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 121.049 -1.032 . . . . 0.0 111.188 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.7 t -130.39 -96.13 0.37 Allowed 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.409 1.084 . . . . 0.0 111.015 171.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.47 153.96 31.12 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 126.434 1.894 . . . . 0.0 110.577 173.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.1 t -60.04 136.61 23.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-N 118.291 0.496 . . . . 0.0 110.733 169.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -77.73 130.72 72.66 Favored Pre-proline 0 CA--C 1.533 0.306 0 CA-C-O 118.89 -0.576 . . . . 0.0 109.527 178.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -70.69 -26.4 23.23 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 CA-C-N 120.384 1.173 . . . . 0.0 112.117 -169.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 58.4 m -71.93 -24.75 61.68 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.304 -0.872 . . . . 0.0 111.832 174.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.95 -48.15 82.54 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 120.857 -1.152 . . . . 0.0 111.267 172.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.0 mt -59.69 -46.9 92.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 123.601 0.761 . . . . 0.0 110.082 175.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.99 -37.46 79.71 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 12.7 mmt -75.78 -28.78 58.54 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.372 1.069 . . . . 0.0 112.19 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 84.9 mmm -76.05 -30.16 58.29 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 118.882 0.764 . . . . 0.0 111.809 169.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -68.12 -23.37 64.89 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 120.97 -1.081 . . . . 0.0 112.651 174.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -62.29 -29.32 70.35 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 119.785 1.175 . . . . 0.0 112.632 173.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.8 m -101.18 10.51 7.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 125.394 1.478 . . . . 0.0 112.442 176.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.71 22.39 77.18 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 125.092 1.33 . . . . 0.0 115.271 176.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 54.5 mt -108.91 142.3 21.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 125.348 1.459 . . . . 0.0 110.672 -175.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -109.59 122.14 46.78 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.651 1.18 . . . . 0.0 113.238 -178.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.6 pt -126.69 20.7 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.329 1.452 . . . . 0.0 112.204 169.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.2 t -72.7 -30.61 64.36 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 120.817 -1.177 . . . . 0.0 112.79 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.24 7.56 36.89 Favored Glycine 0 CA--C 1.538 1.522 0 C-N-CA 125.21 1.386 . . . . 0.0 115.564 177.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -133.93 148.6 51.21 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.083 1.753 . . . . 0.0 110.226 -179.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.0 t -142.15 -176.4 4.8 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 124.443 1.097 . . . . 0.0 109.387 177.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.8 m -56.23 137.06 52.65 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 124.191 0.997 . . . . 0.0 113.322 177.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -142.64 146.93 40.37 Favored Pre-proline 0 CA--C 1.552 1.024 0 C-N-CA 124.737 1.215 . . . . 0.0 112.743 169.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -87.55 146.65 7.19 Favored 'Trans proline' 0 CA--C 1.542 0.884 0 C-N-CA 123.614 2.876 . . . . 0.0 114.238 -172.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.7 tt -56.91 -35.63 47.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 126.714 2.006 . . . . 0.0 112.233 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -63.5 -22.05 66.67 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -177.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.24 -12.7 45.94 Favored 'General case' 0 CA--C 1.553 1.065 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 175.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -100.32 173.08 6.76 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.086 1.355 . . . . 0.0 113.468 -170.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -128.18 90.03 3.01 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.083 1.353 . . . . 0.0 112.819 -169.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.47 -32.15 57.17 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -179.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -56.85 -24.59 52.48 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.29 1.436 . . . . 0.0 114.133 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -101.23 5.75 42.68 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.565 1.146 . . . . 0.0 113.484 176.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -110.41 97.09 6.62 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.426 1.09 . . . . 0.0 108.834 174.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -53.0 -34.72 57.6 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 121.796 -0.565 . . . . 0.0 111.905 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 47.7 t -121.88 138.18 53.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 C-N-CA 124.593 1.157 . . . . 0.0 111.001 173.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 62.4 t -123.45 135.81 62.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 123.991 0.916 . . . . 0.0 110.06 170.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 22.5 mm -121.15 136.46 58.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 124.615 1.166 . . . . 0.0 108.923 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.7 t -103.0 139.81 38.08 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 123.953 0.901 . . . . 0.0 109.684 169.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.6 mp . . . . . 0 N--CA 1.468 0.445 0 C-N-CA 126.131 1.772 . . . . 0.0 109.886 178.718 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 59.4 t . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -140.22 1.87 1.84 Allowed 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 115.532 1.678 . . . . 0.0 115.532 175.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 49.2 mt 42.48 65.73 4.85 Favored Pre-proline 0 CA--C 1.556 1.212 0 C-N-CA 126.562 1.945 . . . . 0.0 115.116 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -50.35 -28.88 21.95 Favored 'Trans proline' 0 CA--C 1.554 1.521 0 C-N-CA 123.67 2.913 . . . . 0.0 119.127 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -76.58 -158.89 0.09 OUTLIER 'Trans proline' 0 CA--C 1.549 1.245 0 C-N-CA 122.647 2.232 . . . . 0.0 114.993 -176.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -52.05 -14.73 0.44 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 126.115 1.766 . . . . 0.0 115.122 172.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -59.28 -16.1 19.64 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 126.358 1.863 . . . . 0.0 115.053 174.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 32.9 m -120.66 3.56 6.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 124.602 1.161 . . . . 0.0 114.102 174.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 45.9 p -91.95 1.49 57.15 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.932 0.893 . . . . 0.0 113.331 177.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 76.5 mm-40 -76.53 176.83 7.94 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.096 1.358 . . . . 0.0 112.018 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -64.57 -37.96 89.37 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 121.479 -0.763 . . . . 0.0 112.808 -169.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 36.2 mt -137.06 134.26 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 124.259 1.024 . . . . 0.0 109.996 173.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -126.97 132.91 50.7 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.326 1.05 . . . . 0.0 109.956 168.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -135.82 155.04 50.95 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.479 1.112 . . . . 0.0 112.229 177.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -123.53 95.84 4.74 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.569 1.147 . . . . 0.0 110.676 176.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 44.1 m0 -89.41 83.24 6.38 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.74 1.616 . . . . 0.0 110.269 -177.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -70.75 115.87 10.41 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.862 -0.524 . . . . 0.0 111.177 -175.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 82.4 mt -142.09 149.54 40.01 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 126.473 1.909 . . . . 0.0 108.007 177.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -69.15 155.63 40.06 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.723 0.773 . . . . 0.0 112.076 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -85.27 114.89 58.82 Favored Pre-proline 0 CA--C 1.548 0.899 0 CA-C-O 118.696 -0.669 . . . . 0.0 110.793 178.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -71.95 -11.08 27.09 Favored 'Trans proline' 0 C--N 1.355 0.897 0 C-N-CA 122.933 2.422 . . . . 0.0 116.262 -171.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -50.77 112.15 0.66 Allowed 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.357 1.463 . . . . 0.0 112.166 178.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.98 14.59 78.67 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 124.162 0.887 . . . . 0.0 114.622 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -85.6 -95.74 0.07 Allowed 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 118.527 1.164 . . . . 0.0 110.962 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.2 m -164.87 159.6 18.51 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 127.074 2.15 . . . . 0.0 109.407 175.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 57.1 mt -62.51 -37.71 87.09 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 121.003 -1.061 . . . . 0.0 112.225 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -60.56 -29.88 69.44 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 121.298 -0.876 . . . . 0.0 112.926 173.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 82.4 t -74.94 -41.91 46.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 O-C-N 121.415 -0.803 . . . . 0.0 110.762 173.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -58.55 -45.62 88.54 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.311 0.96 . . . . 0.0 111.214 172.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 -64.41 -39.52 94.0 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.546 1.138 . . . . 0.0 112.259 177.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 40.6 m -63.3 -37.76 88.51 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.143 0.977 . . . . 0.0 111.868 175.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 55.5 t -73.3 -48.55 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 123.756 0.822 . . . . 0.0 110.91 174.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -50.01 -50.14 48.28 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 126.534 1.934 . . . . 0.0 112.563 178.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -62.6 -39.6 98.09 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 123.331 0.491 . . . . 0.0 113.318 -178.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -75.01 -40.93 60.32 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.849 -0.795 . . . . 0.0 111.833 178.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 91.1 t -57.63 -45.22 86.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 O-C-N 121.247 -0.908 . . . . 0.0 111.348 170.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -57.91 -54.65 44.55 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.133 0.973 . . . . 0.0 111.285 175.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -64.34 -37.49 87.68 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 118.541 -0.742 . . . . 0.0 112.211 -175.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 47.7 mtt180 -67.66 -37.46 82.42 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 117.87 -1.062 . . . . 0.0 111.926 175.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 19.2 t -61.31 -49.47 84.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 CA-C-N 119.916 1.235 . . . . 0.0 112.331 169.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -61.43 -36.01 79.18 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 120.425 1.466 . . . . 0.0 112.456 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -71.99 -30.18 64.98 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 177.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 50.8 tp -76.17 -51.71 11.59 Favored 'General case' 0 C--N 1.339 0.109 0 C-N-CA 123.874 0.87 . . . . 0.0 111.507 177.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 6.4 pt -61.09 -33.19 54.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-N 119.223 0.92 . . . . 0.0 111.877 -175.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.82 -21.7 66.84 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 175.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -84.64 -40.22 17.7 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.763 1.225 . . . . 0.0 113.092 174.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.0 pp -108.38 -0.77 9.83 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 N-CA-C 116.44 2.015 . . . . 0.0 116.44 -169.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 41.4 m . . . . . 0 C--O 1.256 1.4 0 C-N-CA 124.155 0.982 . . . . 0.0 112.915 175.426 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.462 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 55.3 ttm . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 111.554 0.205 . . . . 0.0 111.554 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -129.31 162.92 26.84 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 126.275 1.83 . . . . 0.0 110.331 169.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.418 ' HE2' ' O ' ' A' ' 72' ' ' ASP . 1.6 mppt? -107.0 140.4 39.87 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.402 1.081 . . . . 0.0 111.533 -175.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.2 t -120.84 141.44 41.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 124.315 1.046 . . . . 0.0 109.945 178.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.2 tpp -133.58 136.45 44.92 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 123.843 0.857 . . . . 0.0 110.092 177.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -108.47 136.92 47.28 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.538 1.135 . . . . 0.0 111.58 -175.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.3 t -118.44 133.65 64.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 126.533 1.933 . . . . 0.0 110.854 175.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 45.1 t -137.97 178.41 7.14 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 125.153 1.381 . . . . 0.0 111.643 174.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -53.08 -56.85 13.08 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 126.343 1.857 . . . . 0.0 113.698 -176.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -133.59 14.33 4.07 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 125.481 1.512 . . . . 0.0 114.52 -178.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.255 7.8 t-20 51.35 38.9 22.9 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 127.467 2.307 . . . . 0.0 114.686 -174.382 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.5 p -91.59 -43.23 9.77 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.235 1.414 . . . . 0.0 113.166 177.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.0 t -139.56 -175.71 4.29 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.922 1.689 . . . . 0.0 110.744 -175.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 57.56 -80.18 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 126.968 2.107 . . . . 0.0 112.949 -173.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.2 p -46.19 -46.17 17.27 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 127.271 2.229 . . . . 0.0 113.929 176.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -66.17 -36.7 83.79 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.61 1.164 . . . . 0.0 112.088 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 54.5 mtt -68.82 -35.55 77.11 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.81 0.844 . . . . 0.0 111.78 170.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.26 -40.56 96.23 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.552 0.741 . . . . 0.0 111.59 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -63.8 -39.76 95.02 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 119.091 -0.481 . . . . 0.0 111.267 169.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.38 -49.89 65.92 Favored Glycine 0 CA--C 1.528 0.877 0 C-N-CA 123.96 0.79 . . . . 0.0 114.071 174.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -70.78 -45.36 64.86 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 118.463 1.131 . . . . 0.0 112.127 176.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.97 -39.69 93.86 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -177.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -67.65 -25.32 65.66 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 119.494 1.043 . . . . 0.0 113.266 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.4 m -86.95 -54.24 4.45 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.448 1.499 . . . . 0.0 112.619 177.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 71.8 mt -83.9 -28.91 27.57 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.183 1.393 . . . . 0.0 112.354 -172.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -96.18 6.58 66.32 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 126.37 1.938 . . . . 0.0 114.476 176.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.58 113.44 0.89 Allowed 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 119.679 1.739 . . . . 0.0 112.365 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.72 -15.02 56.93 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.585 1.088 . . . . 0.0 114.341 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 1' ' ' MET . 9.0 mtpt -88.52 -38.19 15.14 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.984 1.313 . . . . 0.0 111.224 169.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 pp -141.4 174.1 7.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 124.313 1.045 . . . . 0.0 113.458 -174.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -132.48 144.96 50.82 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.378 1.471 . . . . 0.0 108.481 168.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -138.42 151.68 24.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 N-CA-C 114.911 1.449 . . . . 0.0 114.911 -169.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.6 m -138.96 149.25 44.53 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.788 1.635 . . . . 0.0 109.406 175.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.3 t -119.36 138.48 53.03 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.246 1.418 . . . . 0.0 111.929 174.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 13.8 p -152.15 -176.45 5.67 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.326 1.451 . . . . 0.0 112.551 177.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -151.49 172.42 30.97 Favored Glycine 0 N--CA 1.469 0.841 0 O-C-N 120.32 -1.487 . . . . 0.0 111.456 171.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.38 -13.5 40.2 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 119.623 1.712 . . . . 0.0 113.457 175.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -153.01 166.15 33.33 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 127.095 2.158 . . . . 0.0 109.866 169.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.8 p -107.67 152.71 23.95 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.087 1.355 . . . . 0.0 111.944 175.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.3 t -139.06 -82.7 0.28 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.141 1.376 . . . . 0.0 110.295 169.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.85 158.28 17.17 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 126.931 2.092 . . . . 0.0 110.068 169.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.6 t -60.42 136.7 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 CA-C-N 120.104 1.32 . . . . 0.0 108.603 169.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -67.9 124.58 89.83 Favored Pre-proline 0 N--CA 1.467 0.377 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 173.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -67.5 -26.23 40.59 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 CA-C-N 120.493 1.212 . . . . 0.0 112.117 -169.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 40.4 m -70.34 -27.96 64.76 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.692 0.797 . . . . 0.0 112.218 173.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.68 -43.46 98.81 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 120.295 -1.503 . . . . 0.0 111.842 175.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.6 mt -60.74 -43.38 95.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 123.518 0.727 . . . . 0.0 110.383 174.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.72 -36.85 84.34 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 177.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 23.3 mmt -74.91 -30.4 61.26 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.247 1.419 . . . . 0.0 112.312 178.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 79.0 mmm -75.52 -30.29 59.75 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 119.071 0.851 . . . . 0.0 111.659 169.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -69.46 -19.85 63.76 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.128 -0.983 . . . . 0.0 113.432 173.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -63.42 -30.67 71.76 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.863 1.21 . . . . 0.0 112.223 171.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 30.9 m -100.88 10.53 7.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 125.524 1.53 . . . . 0.0 112.625 177.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.44 18.57 77.06 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 124.7 1.143 . . . . 0.0 115.281 177.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 60.5 mt -99.51 117.22 44.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 124.602 1.161 . . . . 0.0 109.323 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -86.24 119.01 26.06 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 112.235 0.458 . . . . 0.0 112.235 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.3 pt -121.99 13.91 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 125.185 1.394 . . . . 0.0 112.248 169.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 87.8 p -63.38 -21.9 66.56 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 120.627 -1.296 . . . . 0.0 113.988 -174.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.9 1.53 86.24 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 125.022 1.296 . . . . 0.0 115.474 173.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -76.95 154.54 33.49 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 119.913 1.856 . . . . 0.0 112.035 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 31.8 p -133.03 161.41 34.44 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 127.726 2.411 . . . . 0.0 107.907 169.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.6 p -90.56 141.91 28.29 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.321 -0.862 . . . . 0.0 113.127 175.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -138.79 146.68 51.23 Favored Pre-proline 0 N--CA 1.48 1.047 0 C-N-CA 124.494 1.118 . . . . 0.0 113.785 -177.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -88.65 147.63 6.02 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 124.094 3.196 . . . . 0.0 113.543 -176.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 11.2 tt -58.63 -37.88 67.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 126.737 2.015 . . . . 0.0 112.088 -177.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -68.87 -11.2 60.29 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 -174.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.6 -13.86 36.25 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 171.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -101.15 173.98 6.21 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 114.306 1.224 . . . . 0.0 114.306 -169.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -116.8 86.33 2.48 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.775 2.03 . . . . 0.0 112.263 -171.084 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.36 -33.94 31.82 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 121.308 -0.87 . . . . 0.0 113.021 177.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -56.36 -29.12 60.98 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.861 1.664 . . . . 0.0 114.477 -178.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.418 ' O ' ' HE2' ' A' ' 3' ' ' LYS . 34.1 t70 -84.59 -28.15 26.75 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 176.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -82.93 92.55 7.34 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.033 0.933 . . . . 0.0 109.689 -173.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -47.08 -35.77 7.37 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.786 1.234 . . . . 0.0 111.8 177.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 46.4 t -126.08 136.46 60.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 C-N-CA 124.247 1.019 . . . . 0.0 111.27 173.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.2 t -120.03 138.31 51.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 123.852 0.861 . . . . 0.0 109.415 169.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 31.8 mm -124.45 127.56 73.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 124.605 1.162 . . . . 0.0 109.109 -178.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.0 t -96.64 140.97 30.46 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.194 0.521 . . . . 0.0 109.624 169.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 mp . . . . . 0 CA--C 1.534 0.334 0 C-N-CA 125.688 1.595 . . . . 0.0 108.528 178.67 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 32.0 t . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 109.362 -0.606 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -128.89 -5.83 5.05 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 -176.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 44.8 mt 44.22 65.17 6.26 Favored Pre-proline 0 CA--C 1.557 1.228 0 C-N-CA 126.025 1.73 . . . . 0.0 114.962 -177.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -51.43 -30.07 33.42 Favored 'Trans proline' 0 CA--C 1.554 1.477 0 C-N-CA 123.402 2.735 . . . . 0.0 119.043 178.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -77.49 -159.96 0.11 Allowed 'Trans proline' 0 CA--C 1.546 1.118 0 C-N-CA 122.526 2.151 . . . . 0.0 114.83 -175.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -56.55 -9.7 0.8 Allowed 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.793 1.637 . . . . 0.0 115.206 174.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -61.19 -15.39 33.58 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.652 1.581 . . . . 0.0 115.026 173.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 34.1 m -116.87 2.25 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 124.708 1.203 . . . . 0.0 113.678 174.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 40.0 p -95.41 3.53 54.24 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.471 1.109 . . . . 0.0 113.248 178.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -74.89 178.05 5.83 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.784 1.234 . . . . 0.0 112.016 177.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -65.28 -37.33 86.86 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.424 -0.798 . . . . 0.0 112.856 -169.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 26.1 mt -137.0 137.46 46.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 123.511 0.725 . . . . 0.0 110.329 170.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -128.15 131.81 48.94 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.662 1.185 . . . . 0.0 109.681 168.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -133.36 154.93 50.32 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.395 1.078 . . . . 0.0 111.78 176.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -125.15 106.25 9.76 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.776 1.23 . . . . 0.0 110.816 177.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 35.6 m0 -98.18 89.27 4.44 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.559 1.544 . . . . 0.0 110.042 -178.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -79.12 106.12 10.94 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.401 -0.812 . . . . 0.0 110.72 -177.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 52.9 mt -115.98 171.55 7.71 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.665 1.586 . . . . 0.0 111.885 -177.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 32.5 mp0 -61.26 167.28 3.25 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.323 1.849 . . . . 0.0 111.451 171.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -117.86 96.45 49.55 Favored Pre-proline 0 N--CA 1.476 0.854 0 C-N-CA 125.411 1.485 . . . . 0.0 109.966 -177.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -70.56 -14.85 33.93 Favored 'Trans proline' 0 C--N 1.355 0.902 0 C-N-CA 123.778 2.986 . . . . 0.0 118.02 -169.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -59.64 113.52 2.27 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.707 1.14 . . . . 0.0 112.095 -174.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 78.05 14.14 82.61 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 123.998 0.809 . . . . 0.0 114.335 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -89.85 -100.66 0.1 Allowed 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 118.148 0.974 . . . . 0.0 111.388 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 56.2 p -162.52 164.06 27.11 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 126.419 1.888 . . . . 0.0 110.013 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -68.11 -28.29 67.2 Favored 'General case' 0 C--O 1.223 -0.308 0 C-N-CA 122.782 0.433 . . . . 0.0 111.465 -179.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -66.0 -37.42 85.9 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.567 0.747 . . . . 0.0 111.747 171.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 79.4 t -71.85 -37.58 62.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 O-C-N 121.079 -1.013 . . . . 0.0 111.472 174.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -60.77 -47.27 87.09 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.353 0.979 . . . . 0.0 111.422 169.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 58.6 mtp85 -60.55 -37.93 82.85 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.581 1.153 . . . . 0.0 112.029 176.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 51.3 m -61.82 -44.12 97.48 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.512 1.125 . . . . 0.0 111.719 174.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 46.6 t -67.75 -48.1 77.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 O-C-N 121.015 -1.053 . . . . 0.0 111.131 173.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 50.3 ttp180 -53.39 -47.37 69.57 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.336 1.455 . . . . 0.0 112.371 -178.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -62.39 -40.25 98.81 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 123.87 0.747 . . . . 0.0 113.022 179.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -69.67 -47.08 64.52 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.822 -0.81 . . . . 0.0 111.205 176.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 76.2 t -55.43 -46.09 78.48 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 CA-C-N 119.191 0.905 . . . . 0.0 111.397 173.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -56.94 -55.77 30.26 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.974 0.91 . . . . 0.0 111.111 177.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -39.29 94.02 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 118.392 -0.813 . . . . 0.0 111.481 -177.091 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -62.15 -43.53 98.63 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 119.188 0.904 . . . . 0.0 110.887 177.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 23.0 t -61.36 -49.96 82.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 CA-C-O 118.029 -0.986 . . . . 0.0 113.039 171.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -59.43 -36.39 75.8 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 120.707 1.594 . . . . 0.0 112.313 178.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -25.62 61.51 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 178.238 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 56.7 tp -80.66 -51.14 9.04 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.765 1.226 . . . . 0.0 112.032 175.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 9.0 pt -62.75 -27.96 43.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 CA-C-N 119.462 1.028 . . . . 0.0 112.204 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.74 -19.64 64.35 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 176.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -102.29 -32.77 9.88 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 115.34 1.607 . . . . 0.0 115.34 176.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.31 1.8 pp -101.34 5.13 10.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 N-CA-C 116.676 2.102 . . . . 0.0 116.676 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 60.3 p . . . . . 0 C--O 1.253 1.289 0 CA-C-N 119.617 1.099 . . . . 0.0 113.591 170.814 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.486 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 17.8 ttt . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 119.42 -0.324 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -129.82 167.65 17.78 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 125.198 1.399 . . . . 0.0 111.812 172.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -106.84 139.93 40.48 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.639 1.176 . . . . 0.0 111.282 -176.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.1 t -124.91 139.78 50.03 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 124.395 1.078 . . . . 0.0 109.796 178.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 5.3 tpp -132.98 136.19 45.92 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 123.88 0.872 . . . . 0.0 110.211 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -108.48 131.65 54.6 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.306 1.042 . . . . 0.0 111.211 -177.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.6 t -109.11 131.41 59.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 126.541 1.936 . . . . 0.0 109.935 172.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.6 t -128.35 166.84 17.89 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.352 1.461 . . . . 0.0 109.144 169.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -43.62 85.59 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.555 -1.341 . . . . 0.0 112.315 -173.369 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.274 0.2 OUTLIER -123.48 9.34 9.04 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 116.583 2.068 . . . . 0.0 116.583 174.618 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.261 8.0 t-20 49.46 32.27 4.6 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 127.877 2.471 . . . . 0.0 116.26 179.156 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.9 p -88.81 -37.37 15.45 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.044 1.337 . . . . 0.0 113.19 174.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.4 p -139.23 176.97 8.25 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.335 1.854 . . . . 0.0 111.155 -169.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.5 mtt85 55.86 -78.79 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 127.113 2.165 . . . . 0.0 113.79 -172.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 60.7 p -45.63 -45.41 13.87 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 127.415 2.286 . . . . 0.0 113.964 178.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 -65.85 -35.97 82.16 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.636 0.774 . . . . 0.0 112.098 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 6.7 mtp -75.47 -35.5 60.85 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.04 1.336 . . . . 0.0 111.11 174.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.77 -44.36 90.62 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.801 1.24 . . . . 0.0 111.561 174.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -59.76 -40.19 87.36 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 122.729 0.411 . . . . 0.0 111.349 169.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.48 -52.0 54.37 Favored Glycine 0 CA--C 1.531 1.032 0 C-N-CA 125.358 1.456 . . . . 0.0 114.735 176.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -65.09 -43.45 92.06 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 119.334 1.567 . . . . 0.0 110.325 176.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.27 -44.24 79.82 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -174.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -64.99 -24.96 67.67 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 119.556 1.071 . . . . 0.0 113.272 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.2 m -85.45 -57.29 3.13 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.574 1.55 . . . . 0.0 112.449 175.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 69.6 mt -83.15 -31.38 27.21 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.009 1.324 . . . . 0.0 112.355 -170.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -94.19 10.16 71.8 Favored Glycine 0 CA--C 1.529 0.911 0 C-N-CA 126.3 1.905 . . . . 0.0 114.304 175.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.13 112.89 0.8 Allowed 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 119.867 1.834 . . . . 0.0 112.838 -178.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.52 -18.4 14.97 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 125.181 1.372 . . . . 0.0 114.948 -176.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.486 ' O ' ' HA ' ' A' ' 1' ' ' MET . 29.5 mtpp -77.08 -38.47 52.4 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.183 1.393 . . . . 0.0 110.426 169.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.5 pp -144.5 170.21 8.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 125.103 1.361 . . . . 0.0 112.898 -178.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -124.45 143.41 50.65 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.058 1.343 . . . . 0.0 108.432 168.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.09 148.66 24.94 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 N-CA-C 115.227 1.565 . . . . 0.0 115.227 -169.529 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.5 m -139.53 150.64 45.34 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.34 1.456 . . . . 0.0 109.72 178.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.0 t -119.55 139.31 52.34 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.171 1.388 . . . . 0.0 112.014 175.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 14.8 p -153.43 -179.01 7.36 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.384 1.473 . . . . 0.0 112.657 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -154.62 167.05 32.49 Favored Glycine 0 C--O 1.223 -0.57 0 O-C-N 120.137 -1.602 . . . . 0.0 113.22 169.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.43 HD21 ' H ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -66.73 -16.59 64.35 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 118.034 0.917 . . . . 0.0 112.628 174.849 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -140.2 167.17 22.75 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.649 1.979 . . . . 0.0 109.51 169.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.9 p -115.3 153.41 31.0 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.483 1.513 . . . . 0.0 111.765 171.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.6 t -136.51 -90.37 0.27 Allowed 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.634 1.573 . . . . 0.0 109.969 174.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -158.35 151.17 22.44 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 127.893 2.477 . . . . 0.0 109.296 172.075 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.1 t -60.91 129.55 23.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 119.886 1.221 . . . . 0.0 108.73 169.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -70.47 125.54 92.03 Favored Pre-proline 0 CA--C 1.532 0.268 0 CA-C-O 118.961 -0.542 . . . . 0.0 110.166 -176.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -72.69 -25.12 17.64 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 CA-C-N 120.072 1.062 . . . . 0.0 112.246 -170.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 40.6 m -75.65 -28.04 58.61 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.418 -0.802 . . . . 0.0 111.651 176.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.29 -45.45 80.17 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 120.99 -1.069 . . . . 0.0 111.914 173.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.1 mt -58.85 -43.6 88.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 123.953 0.901 . . . . 0.0 110.67 176.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.21 -36.09 82.93 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.698 -0.626 . . . . 0.0 112.592 177.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 4.3 mmt -77.84 -30.42 51.01 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 125.014 1.325 . . . . 0.0 112.197 -179.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 87.1 mmm -74.44 -30.65 61.98 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.929 0.892 . . . . 0.0 111.12 169.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -70.86 -20.53 62.52 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.217 -0.927 . . . . 0.0 113.361 176.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -60.68 -31.86 71.1 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 120.254 1.388 . . . . 0.0 112.345 170.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.1 p -100.85 9.59 8.17 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 C-N-CA 126.428 1.891 . . . . 0.0 111.522 177.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.34 20.91 80.0 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 125.048 1.309 . . . . 0.0 115.155 173.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 77.5 mt -104.05 133.27 48.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 124.9 1.28 . . . . 0.0 110.265 -178.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -101.53 124.35 47.05 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.874 0.87 . . . . 0.0 111.697 178.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 32.5 pt -121.13 11.02 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 125.118 1.367 . . . . 0.0 112.947 170.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 98.6 p -69.07 -19.16 64.07 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 120.563 -1.336 . . . . 0.0 114.166 -175.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -76.62 -2.15 74.28 Favored Glycine 0 CA--C 1.54 1.633 0 C-N-CA 124.805 1.193 . . . . 0.0 114.744 171.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -97.6 159.2 15.07 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.222 1.409 . . . . 0.0 110.938 177.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.6 t -147.78 175.99 10.48 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 125.963 1.705 . . . . 0.0 108.563 170.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.7 p -88.09 130.74 34.92 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -173.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -138.05 143.5 39.8 Favored Pre-proline 0 CA--C 1.55 0.956 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 -173.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -83.86 144.22 10.88 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 123.582 2.855 . . . . 0.0 114.222 -171.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.9 tt -54.56 -33.6 27.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 127.487 2.315 . . . . 0.0 112.146 176.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -57.82 -27.3 63.04 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.429 1.492 . . . . 0.0 114.179 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.54 -13.18 35.11 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 179.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -97.07 171.16 8.65 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.899 1.28 . . . . 0.0 113.354 -170.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -124.53 86.68 2.6 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.2 1.4 . . . . 0.0 112.927 -169.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.53 -32.98 43.24 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -56.79 -25.36 55.31 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.163 1.385 . . . . 0.0 114.15 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -103.28 9.2 38.17 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.157 0.983 . . . . 0.0 113.608 177.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -110.39 97.74 7.12 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.204 1.002 . . . . 0.0 108.608 173.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -52.42 -35.25 51.53 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.469 0.707 . . . . 0.0 112.078 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 48.1 t -124.77 138.16 55.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 C-N-CA 124.719 1.208 . . . . 0.0 110.514 173.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 50.4 t -122.69 138.03 54.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 124.209 1.004 . . . . 0.0 109.893 171.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 24.3 mm -123.74 134.98 64.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 C-N-CA 124.532 1.133 . . . . 0.0 109.522 -178.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.9 t -104.16 138.96 39.89 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.494 0.718 . . . . 0.0 111.108 169.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.9 mp . . . . . 0 CA--C 1.538 0.493 0 C-N-CA 125.681 1.592 . . . . 0.0 109.481 -177.547 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 82.1 t . . . . . 0 N--CA 1.478 0.944 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -138.66 -0.24 1.96 Allowed 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 -178.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.0 mt 42.88 66.31 4.52 Favored Pre-proline 0 CA--C 1.554 1.117 0 C-N-CA 126.422 1.889 . . . . 0.0 115.081 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -50.39 -29.16 23.02 Favored 'Trans proline' 0 CA--C 1.554 1.507 0 C-N-CA 123.72 2.947 . . . . 0.0 119.168 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -76.51 -159.47 0.1 OUTLIER 'Trans proline' 0 CA--C 1.548 1.215 0 C-N-CA 122.778 2.319 . . . . 0.0 115.021 -176.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -52.91 -13.48 0.44 Allowed 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 126.22 1.808 . . . . 0.0 115.145 172.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -59.72 -16.08 24.57 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 126.208 1.803 . . . . 0.0 114.939 173.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 32.8 m -120.32 4.5 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 174.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 44.2 p -93.02 2.71 56.65 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.063 0.945 . . . . 0.0 113.258 176.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 -76.51 177.5 7.37 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.634 1.174 . . . . 0.0 111.921 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -64.69 -39.1 93.08 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 121.345 -0.847 . . . . 0.0 112.824 -169.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 26.5 mt -136.88 137.25 47.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 123.817 0.847 . . . . 0.0 110.243 172.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -126.49 134.61 50.87 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.501 1.12 . . . . 0.0 109.76 168.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -135.13 153.23 52.07 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.285 1.034 . . . . 0.0 111.493 175.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -122.36 119.17 30.28 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.565 0.746 . . . . 0.0 111.798 170.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 43.5 m0 -108.82 86.26 2.25 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.903 1.681 . . . . 0.0 109.858 -174.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -80.24 122.26 26.65 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.617 0.767 . . . . 0.0 110.673 -175.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 75.8 mt -143.42 172.63 12.51 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.66 1.584 . . . . 0.0 111.714 -175.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -56.53 168.52 0.56 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.355 1.462 . . . . 0.0 113.058 172.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -118.07 93.06 43.85 Favored Pre-proline 0 CA--C 1.542 0.658 0 C-N-CA 126.049 1.739 . . . . 0.0 110.522 -177.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -70.07 -14.54 35.24 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.464 2.776 . . . . 0.0 116.598 -169.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -58.94 99.77 0.06 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.809 1.644 . . . . 0.0 111.852 -175.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 86.21 14.92 65.58 Favored Glycine 0 CA--C 1.541 1.707 0 C-N-CA 124.408 1.004 . . . . 0.0 115.366 -176.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -88.91 -103.63 0.09 Allowed 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 118.787 1.293 . . . . 0.0 111.689 178.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 54.9 p -153.6 164.5 38.14 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 126.733 2.013 . . . . 0.0 110.189 177.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.8 mt -62.35 -37.65 86.49 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 122.0 -0.438 . . . . 0.0 112.169 177.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -65.91 -34.32 77.85 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.51 -0.744 . . . . 0.0 111.939 176.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 75.4 t -70.55 -35.8 63.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 O-C-N 120.963 -1.086 . . . . 0.0 111.431 172.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -61.34 -48.42 81.41 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.179 0.899 . . . . 0.0 111.108 170.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 45.4 mtp85 -59.57 -37.77 79.37 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.27 1.428 . . . . 0.0 112.393 177.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 53.5 m -63.69 -41.25 98.16 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.576 1.15 . . . . 0.0 112.036 176.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 75.7 t -72.46 -48.35 47.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 O-C-N 121.513 -0.742 . . . . 0.0 111.529 172.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 53.4 ttp180 -49.09 -51.34 32.25 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 126.511 1.924 . . . . 0.0 112.019 -178.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -61.43 -36.32 92.36 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 123.857 0.741 . . . . 0.0 113.859 -178.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -76.75 -47.15 22.62 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.615 -0.933 . . . . 0.0 111.432 177.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 39.0 t -57.07 -40.15 71.11 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 CA-C-N 119.322 0.964 . . . . 0.0 111.297 173.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 48.1 tttm -58.72 -55.82 30.19 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.545 1.138 . . . . 0.0 111.927 173.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -35.5 81.04 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 118.319 -0.848 . . . . 0.0 111.508 -177.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -61.11 -44.46 97.31 Favored 'General case' 0 C--N 1.34 0.185 0 CA-C-N 119.165 0.893 . . . . 0.0 110.81 175.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 39.2 t -61.29 -50.15 81.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-O 118.129 -0.939 . . . . 0.0 113.21 170.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -59.59 -34.2 72.44 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 120.836 1.653 . . . . 0.0 112.88 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.19 -26.46 60.29 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 176.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 55.5 tp -79.68 -48.76 13.15 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.405 1.082 . . . . 0.0 111.89 176.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 6.1 pt -64.03 -28.22 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 CA-C-N 119.578 1.081 . . . . 0.0 112.613 -176.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.14 -21.08 64.94 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 174.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -87.89 -44.46 11.04 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.214 1.406 . . . . 0.0 113.179 176.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.294 1.7 pp -105.75 4.05 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 N-CA-C 116.541 2.052 . . . . 0.0 116.541 -169.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--O 1.253 1.288 0 C-N-CA 124.023 0.929 . . . . 0.0 111.929 169.768 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.452 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 13.9 ttt . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 119.912 -0.089 . . . . 0.0 111.234 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -130.19 165.32 22.61 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 125.851 1.661 . . . . 0.0 111.239 170.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -105.64 140.95 37.92 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.95 1.3 . . . . 0.0 110.509 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.2 t -123.46 140.19 47.8 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 124.6 1.16 . . . . 0.0 109.751 177.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 4.2 tpp -133.35 135.58 44.83 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 123.763 0.825 . . . . 0.0 109.997 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -108.18 135.19 49.93 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 124.207 1.003 . . . . 0.0 111.504 -176.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.4 t -115.82 123.77 71.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 126.782 2.033 . . . . 0.0 109.495 173.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 48.0 t -122.15 165.25 16.42 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.57 1.148 . . . . 0.0 110.187 169.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -62.47 -40.4 96.54 Favored 'General case' 0 N--CA 1.484 1.255 0 O-C-N 120.675 -1.266 . . . . 0.0 113.308 -169.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.3 0.2 OUTLIER -127.22 12.16 7.06 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 116.135 1.902 . . . . 0.0 116.135 173.797 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 49.35 34.22 6.22 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 127.582 2.353 . . . . 0.0 116.001 -177.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.9 p -92.93 -38.75 11.52 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.776 1.23 . . . . 0.0 112.853 179.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.9 t -139.78 -177.0 4.77 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.793 1.637 . . . . 0.0 110.713 -176.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.5 mtm-85 57.31 -77.75 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 127.312 2.245 . . . . 0.0 114.077 -175.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 59.7 p -45.54 -44.95 13.12 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 126.373 1.869 . . . . 0.0 113.387 175.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -66.91 -38.33 86.03 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.391 1.476 . . . . 0.0 112.051 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 58.5 mtt -68.85 -36.22 77.88 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.276 1.03 . . . . 0.0 112.193 170.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.7 -41.06 98.18 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.447 0.699 . . . . 0.0 111.115 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -63.21 -39.67 95.28 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 122.867 0.467 . . . . 0.0 110.709 169.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.92 -45.89 85.31 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 124.935 1.255 . . . . 0.0 114.318 173.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -73.95 -46.58 43.19 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.121 1.461 . . . . 0.0 112.271 175.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.47 -34.93 79.42 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -176.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -63.34 -32.24 73.6 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 120.388 1.449 . . . . 0.0 113.118 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.0 m -90.21 -51.21 5.56 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 125.473 1.509 . . . . 0.0 112.334 179.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 68.9 mt -78.3 -23.89 46.92 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.12 0.968 . . . . 0.0 112.345 -175.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -104.72 10.29 48.9 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 126.915 2.198 . . . . 0.0 114.553 176.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.17 110.97 0.49 Allowed 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 119.78 1.79 . . . . 0.0 112.531 -177.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.99 -21.49 7.86 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.949 1.261 . . . . 0.0 114.435 -178.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 1' ' ' MET . 36.8 mtpt -73.61 -39.45 64.56 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.951 1.301 . . . . 0.0 110.928 169.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.5 pp -143.83 172.8 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 125.064 1.346 . . . . 0.0 112.808 -177.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.04 145.25 51.05 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.973 1.309 . . . . 0.0 108.922 168.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.13 149.55 24.69 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 N-CA-C 115.056 1.502 . . . . 0.0 115.056 -169.39 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.2 m -140.02 148.73 42.27 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.736 1.615 . . . . 0.0 109.924 178.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.8 t -119.32 139.35 52.08 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.254 1.422 . . . . 0.0 112.041 174.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 14.0 p -153.34 -177.5 6.37 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.635 1.574 . . . . 0.0 112.664 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -151.0 164.37 29.99 Favored Glycine 0 N--CA 1.467 0.72 0 O-C-N 120.48 -1.388 . . . . 0.0 112.13 170.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.46 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.7 OUTLIER -63.83 -15.28 58.43 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 118.725 1.263 . . . . 0.0 113.254 176.442 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -150.39 165.1 34.13 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 127.508 2.323 . . . . 0.0 108.366 168.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.7 t -121.81 150.0 42.52 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.193 0.997 . . . . 0.0 112.832 -170.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 87.8 p -137.39 -98.91 0.2 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.137 1.375 . . . . 0.0 111.772 173.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.68 152.13 26.72 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 127.892 2.477 . . . . 0.0 109.718 174.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.8 t -59.11 133.01 24.47 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 CA-C-N 119.737 1.153 . . . . 0.0 109.157 171.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -66.34 124.66 88.69 Favored Pre-proline 0 CA--C 1.531 0.243 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 174.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -67.63 -26.83 39.28 Favored 'Trans proline' 0 CA--C 1.539 0.764 0 CA-C-N 120.569 1.239 . . . . 0.0 111.884 -169.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 35.5 m -69.01 -28.81 66.93 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.458 -0.777 . . . . 0.0 112.168 173.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.46 -46.44 90.05 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 120.179 1.354 . . . . 0.0 111.462 174.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.1 mt -59.3 -45.95 92.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 123.787 0.835 . . . . 0.0 110.038 174.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.46 -35.52 77.86 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 178.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 10.7 mmt -75.62 -28.37 58.82 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.57 1.148 . . . . 0.0 112.089 178.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 81.9 mmm -74.49 -33.28 62.8 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.223 0.92 . . . . 0.0 111.372 169.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -65.63 -21.97 66.61 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 112.943 0.719 . . . . 0.0 112.943 175.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -64.02 -26.44 68.57 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 119.867 1.212 . . . . 0.0 112.609 170.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.0 t -86.94 -6.87 10.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.383 1.473 . . . . 0.0 111.338 175.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.38 16.18 77.27 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 124.382 0.992 . . . . 0.0 113.292 -169.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 54.2 mt -96.02 132.48 40.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 125.417 1.487 . . . . 0.0 109.515 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -100.11 123.04 43.88 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 -175.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.7 pt -130.25 13.89 2.24 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 C-N-CA 125.09 1.356 . . . . 0.0 113.612 169.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 52.5 p -63.82 -24.09 67.61 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 120.306 -1.496 . . . . 0.0 114.048 -172.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -78.92 0.59 77.77 Favored Glycine 0 CA--C 1.539 1.575 0 C-N-CA 125.098 1.332 . . . . 0.0 115.471 174.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -74.38 158.81 33.28 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 119.758 1.779 . . . . 0.0 111.693 176.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 26.5 p -144.75 163.23 34.65 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 128.998 2.919 . . . . 0.0 105.472 173.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.0 m -85.69 144.87 27.57 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 121.414 -0.804 . . . . 0.0 112.055 176.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -141.48 145.64 38.61 Favored Pre-proline 0 CA--C 1.552 1.023 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 177.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -86.69 149.05 8.58 Favored 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 124.026 3.151 . . . . 0.0 113.891 -175.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.1 tt -58.08 -35.45 52.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 126.563 1.945 . . . . 0.0 112.221 -178.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -63.92 -23.22 67.26 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 -175.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -85.14 -13.32 50.52 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 176.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -100.8 172.42 7.07 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.337 1.455 . . . . 0.0 113.693 -169.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -126.34 88.82 2.9 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.095 1.358 . . . . 0.0 113.169 -169.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.91 -32.24 52.8 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -57.05 -24.03 50.9 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.192 1.397 . . . . 0.0 113.941 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -107.79 12.01 27.7 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.148 0.979 . . . . 0.0 113.562 176.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -111.19 97.0 6.47 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 169.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -53.23 -34.03 55.39 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 122.909 0.483 . . . . 0.0 112.193 -177.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 44.7 t -122.54 137.73 55.07 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 C-N-CA 124.476 1.111 . . . . 0.0 110.693 171.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 45.6 t -120.84 138.56 50.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 123.988 0.915 . . . . 0.0 109.704 169.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 30.6 mm -125.1 130.36 73.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 124.583 1.153 . . . . 0.0 109.203 -177.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.7 t -99.01 144.47 28.12 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 123.686 0.795 . . . . 0.0 109.594 168.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 mp . . . . . 0 CA--C 1.535 0.383 0 C-N-CA 125.932 1.693 . . . . 0.0 108.82 -178.589 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 57.3 t . . . . . 0 N--CA 1.482 1.134 0 N-CA-C 110.725 -0.102 . . . . 0.0 110.725 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -133.01 -6.14 3.09 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 115.327 1.603 . . . . 0.0 115.327 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 45.0 mt 44.7 59.63 13.48 Favored Pre-proline 0 CA--C 1.556 1.178 0 C-N-CA 126.074 1.75 . . . . 0.0 115.242 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -58.1 -17.6 32.48 Favored 'Trans proline' 0 CA--C 1.558 1.717 0 N-CA-C 119.086 2.687 . . . . 0.0 119.086 -177.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo -76.73 -158.85 0.09 OUTLIER 'Trans proline' 0 CA--C 1.55 1.302 0 CA-C-N 123.887 2.424 . . . . 0.0 114.143 177.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -52.35 -13.3 0.33 Allowed 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 126.045 1.738 . . . . 0.0 115.366 171.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -61.96 -14.6 36.44 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.811 1.644 . . . . 0.0 114.889 175.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 34.2 m -120.75 4.88 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 174.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 51.0 p -94.69 4.42 53.85 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.167 0.987 . . . . 0.0 113.327 178.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 -78.59 -177.12 5.18 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.856 1.262 . . . . 0.0 112.339 -178.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -64.86 -40.95 95.95 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 121.033 -1.042 . . . . 0.0 112.163 -170.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 42.1 mt -138.08 140.37 40.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 124.746 1.219 . . . . 0.0 109.874 172.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -128.79 136.96 51.23 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.308 1.043 . . . . 0.0 109.768 168.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -136.11 155.83 49.61 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.838 1.255 . . . . 0.0 111.601 176.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -128.67 102.39 6.56 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.293 1.037 . . . . 0.0 110.885 175.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 37.2 m0 -89.57 89.46 7.84 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.627 1.571 . . . . 0.0 110.379 -177.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -80.41 90.9 5.64 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.79 0.836 . . . . 0.0 110.231 -176.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 60.5 mt -109.35 173.46 6.31 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.488 1.515 . . . . 0.0 111.897 -177.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 25.7 mp0 -63.56 166.48 6.71 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.718 1.607 . . . . 0.0 111.479 174.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -118.18 97.66 50.9 Favored Pre-proline 0 CA--C 1.545 0.751 0 C-N-CA 124.926 1.29 . . . . 0.0 111.147 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -72.44 -15.62 27.79 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 123.766 2.977 . . . . 0.0 116.346 -170.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -56.38 106.12 0.26 Allowed 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.121 1.368 . . . . 0.0 111.721 -177.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 82.64 13.67 77.61 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 124.31 0.957 . . . . 0.0 115.133 -177.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -90.62 -103.96 0.1 Allowed 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.56 1.144 . . . . 0.0 111.258 178.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.5 m -159.98 162.17 34.28 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 127.153 2.181 . . . . 0.0 109.839 177.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.3 mp -68.0 -29.62 68.68 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 120.872 -1.142 . . . . 0.0 112.142 -173.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.9 -29.94 70.54 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 120.711 -1.243 . . . . 0.0 112.951 170.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 99.3 t -77.47 -38.25 26.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.815 0.846 . . . . 0.0 110.883 174.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -60.03 -44.99 94.25 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.199 0.909 . . . . 0.0 111.343 169.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 74.1 mtt180 -63.38 -39.33 94.23 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.422 1.089 . . . . 0.0 111.879 177.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 47.8 m -61.4 -42.84 99.38 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.049 0.94 . . . . 0.0 111.711 174.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 55.7 t -69.04 -47.65 74.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 O-C-N 121.131 -0.981 . . . . 0.0 112.016 173.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 -51.53 -48.24 63.09 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.789 1.636 . . . . 0.0 112.141 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -61.25 -38.48 95.73 Favored Glycine 0 CA--C 1.533 1.209 0 C-N-CA 123.643 0.64 . . . . 0.0 113.224 178.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -72.83 -45.62 57.42 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 117.976 0.888 . . . . 0.0 111.701 177.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 58.8 t -56.57 -44.65 81.34 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 O-C-N 120.935 -1.103 . . . . 0.0 111.305 173.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 39.3 tttm -57.63 -53.65 55.77 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.189 0.996 . . . . 0.0 111.31 174.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -65.21 -36.83 85.39 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 118.695 -0.669 . . . . 0.0 112.25 -175.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 28.5 mmm180 -64.46 -43.3 94.65 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.461 1.028 . . . . 0.0 111.043 174.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 19.5 t -59.73 -50.98 78.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 CA-C-N 119.661 1.119 . . . . 0.0 113.211 171.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -59.51 -35.77 74.8 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 120.624 1.556 . . . . 0.0 112.738 178.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.72 -29.26 62.15 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 177.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 47.8 tp -75.73 -51.21 13.2 Favored 'General case' 0 C--O 1.227 -0.104 0 C-N-CA 123.905 0.882 . . . . 0.0 111.473 177.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.7 pt -61.46 -33.73 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-N 119.536 1.062 . . . . 0.0 111.894 -174.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.87 -21.0 66.72 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 175.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -85.68 -38.33 18.45 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.232 1.413 . . . . 0.0 113.372 175.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.0 pp -111.48 -0.93 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 N-CA-C 116.339 1.977 . . . . 0.0 116.339 -169.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 57.2 m . . . . . 0 C--O 1.254 1.29 0 C-N-CA 124.136 0.975 . . . . 0.0 112.584 174.279 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.461 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 15.4 ttt . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 119.878 -0.106 . . . . 0.0 111.225 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 53.6 mttp -128.74 166.69 18.5 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 126.002 1.721 . . . . 0.0 111.051 169.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.435 ' HE2' ' O ' ' A' ' 72' ' ' ASP . 1.6 mppt? -109.59 140.57 43.24 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.45 1.1 . . . . 0.0 111.435 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.3 t -122.75 141.43 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 124.166 0.986 . . . . 0.0 109.991 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 8.6 tpp -131.42 135.45 47.17 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.905 0.882 . . . . 0.0 110.518 177.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -111.64 115.48 29.19 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 125.008 1.323 . . . . 0.0 111.492 -177.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.5 t -95.3 130.88 43.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 126.273 1.829 . . . . 0.0 110.908 172.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.7 t -127.93 175.17 8.57 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.166 1.386 . . . . 0.0 109.14 169.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp -64.03 -54.39 34.94 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 120.716 -1.24 . . . . 0.0 111.868 -175.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.319 0.3 OUTLIER -116.83 7.66 13.4 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 116.85 2.167 . . . . 0.0 116.85 176.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 52.01 36.06 17.69 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 127.079 2.152 . . . . 0.0 114.279 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.6 p -95.14 -43.75 7.96 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.325 1.45 . . . . 0.0 112.28 178.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.5 t -132.48 -176.11 3.98 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.395 1.878 . . . . 0.0 110.51 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.0 mtt180 56.71 -80.01 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 127.103 2.161 . . . . 0.0 113.251 -171.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.9 p -51.65 -40.26 59.67 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 127.238 2.215 . . . . 0.0 114.175 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -69.27 -35.52 76.15 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.438 0.695 . . . . 0.0 111.78 178.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 48.1 mtt -69.59 -38.02 77.17 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.94 0.896 . . . . 0.0 111.615 171.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.45 -40.95 96.36 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.305 0.642 . . . . 0.0 111.692 177.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 62.8 tt0 -61.8 -41.91 98.34 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.843 0.857 . . . . 0.0 111.729 170.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.92 -46.94 93.24 Favored Glycine 0 CA--C 1.531 1.051 0 C-N-CA 124.036 0.827 . . . . 0.0 114.517 174.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -69.39 -47.69 63.43 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.083 1.441 . . . . 0.0 111.68 176.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.26 -37.48 85.59 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 118.4 -0.809 . . . . 0.0 113.041 -176.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -66.15 -28.39 68.75 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 120.267 1.394 . . . . 0.0 112.922 177.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.9 m -86.3 -52.41 5.64 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.172 1.389 . . . . 0.0 112.376 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 69.2 mt -83.94 -24.66 30.59 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.303 1.441 . . . . 0.0 112.259 -173.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -100.34 9.66 59.35 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 126.707 2.098 . . . . 0.0 114.558 174.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.99 112.17 0.63 Allowed 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 119.668 1.734 . . . . 0.0 112.736 -179.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.3 -21.56 8.36 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 125.116 1.341 . . . . 0.0 114.548 -178.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 1' ' ' MET . 31.2 mtpt -75.03 -39.18 61.2 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.983 1.313 . . . . 0.0 111.126 169.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.4 pp -144.44 172.62 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 125.316 1.447 . . . . 0.0 112.72 -176.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.06 144.59 51.11 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.901 1.281 . . . . 0.0 108.715 168.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.32 152.72 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 N-CA-C 115.094 1.516 . . . . 0.0 115.094 -169.406 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.1 m -146.44 153.15 40.12 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.154 1.781 . . . . 0.0 108.907 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 89.8 p -126.1 149.4 48.95 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.075 -1.016 . . . . 0.0 111.636 169.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 14.5 p -152.34 -174.54 4.93 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.802 1.241 . . . . 0.0 110.527 176.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -149.36 166.81 29.61 Favored Glycine 0 C--O 1.225 -0.453 0 O-C-N 120.334 -1.479 . . . . 0.0 113.249 169.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.443 HD21 ' H ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -65.79 -11.95 50.23 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 121.741 -0.858 . . . . 0.0 112.54 170.11 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -140.08 164.63 29.52 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 127.799 2.439 . . . . 0.0 108.179 169.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 62.7 p -132.61 140.84 48.4 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.214 1.006 . . . . 0.0 111.481 176.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 25.0 t -133.32 -96.33 0.3 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.562 0.745 . . . . 0.0 111.587 174.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.85 155.95 40.95 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.414 1.486 . . . . 0.0 110.597 171.217 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.4 t -59.1 132.51 24.16 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 CA-C-N 119.865 1.212 . . . . 0.0 108.685 170.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 53.4 t-80 -65.23 124.99 88.45 Favored Pre-proline 0 N--CA 1.464 0.229 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 177.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -70.96 -20.45 29.16 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 CA-C-N 120.329 1.153 . . . . 0.0 112.172 -169.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.4 m -72.24 -26.45 62.01 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 121.12 -0.987 . . . . 0.0 111.889 171.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.39 -38.35 89.3 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 120.567 -1.333 . . . . 0.0 111.985 174.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -56.44 -47.42 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 172.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.16 -38.44 90.56 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 121.176 0.512 . . . . 0.0 112.377 -178.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 12.1 mmt -72.74 -28.1 62.43 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 124.588 1.155 . . . . 0.0 112.719 178.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 84.3 mmm -77.97 -31.35 50.74 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 119.27 0.941 . . . . 0.0 111.265 169.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -67.53 -24.74 65.59 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 120.981 -1.074 . . . . 0.0 112.869 174.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -59.18 -31.33 68.91 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.838 1.199 . . . . 0.0 112.628 172.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.1 m -101.98 10.56 8.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.616 1.566 . . . . 0.0 112.693 177.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.51 23.04 78.52 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 124.795 1.188 . . . . 0.0 115.12 176.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 64.4 mt -110.08 141.33 25.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 125.672 1.589 . . . . 0.0 109.75 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -104.13 136.41 43.81 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.446 1.098 . . . . 0.0 112.317 178.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.7 pt -130.57 11.29 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 124.171 0.988 . . . . 0.0 111.664 169.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.7 m -66.08 -26.77 67.64 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.348 1.459 . . . . 0.0 113.412 -171.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.44 -0.71 89.5 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 125.009 1.29 . . . . 0.0 114.715 175.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -89.22 161.13 16.6 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 119.024 1.412 . . . . 0.0 110.743 176.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 25.7 p -145.76 163.64 34.35 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 128.58 2.752 . . . . 0.0 105.489 -179.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.9 m -83.26 138.37 33.61 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 121.471 -0.768 . . . . 0.0 111.997 178.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -136.43 148.24 63.21 Favored Pre-proline 0 N--CA 1.478 0.954 0 C-N-CA 124.095 0.958 . . . . 0.0 113.559 178.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -88.42 143.62 5.5 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 123.316 2.677 . . . . 0.0 113.207 -176.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 8.3 tt -57.17 -34.8 46.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 126.021 1.728 . . . . 0.0 111.993 176.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -58.99 -23.7 62.07 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.953 1.301 . . . . 0.0 114.404 -177.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.36 -15.18 33.92 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 178.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -99.37 174.59 6.21 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.47 1.108 . . . . 0.0 113.935 -169.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.9 100.75 8.89 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.309 1.844 . . . . 0.0 112.023 -175.131 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.73 -35.77 61.56 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.265 -0.897 . . . . 0.0 112.343 174.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -60.92 -31.15 70.68 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.599 1.56 . . . . 0.0 114.457 -172.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.435 ' O ' ' HE2' ' A' ' 3' ' ' LYS . 32.4 t70 -85.2 -29.53 24.62 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 179.369 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -79.26 92.28 5.1 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 121.439 -0.788 . . . . 0.0 109.396 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -48.0 -34.88 9.99 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.961 1.304 . . . . 0.0 112.144 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 52.7 t -124.93 137.85 56.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 C-N-CA 124.449 1.1 . . . . 0.0 110.692 172.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.1 t -122.87 136.1 60.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 123.8 0.84 . . . . 0.0 110.101 171.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 24.7 mm -121.5 128.52 75.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 124.655 1.182 . . . . 0.0 108.56 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.9 t -98.68 144.37 28.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 118.685 0.675 . . . . 0.0 109.414 168.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.3 mp . . . . . 0 C--N 1.33 -0.269 0 C-N-CA 125.874 1.67 . . . . 0.0 108.964 179.552 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 59.7 t . . . . . 0 N--CA 1.475 0.781 0 N-CA-C 111.251 0.093 . . . . 0.0 111.251 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -137.27 -2.76 2.0 Favored 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 115.949 1.833 . . . . 0.0 115.949 177.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.1 mt 42.43 64.98 5.49 Favored Pre-proline 0 CA--C 1.558 1.269 0 C-N-CA 126.103 1.761 . . . . 0.0 114.662 -173.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -51.58 -29.05 30.98 Favored 'Trans proline' 0 CA--C 1.554 1.504 0 C-N-CA 123.451 2.767 . . . . 0.0 119.036 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -75.87 -160.42 0.11 Allowed 'Trans proline' 0 CA--C 1.547 1.162 0 C-N-CA 122.694 2.263 . . . . 0.0 114.773 -176.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -61.43 -6.32 2.24 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 119.998 -1.689 . . . . 0.0 114.785 176.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -59.49 -16.85 27.0 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 120.159 -1.588 . . . . 0.0 114.783 171.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 34.9 m -113.8 0.58 8.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 124.774 1.23 . . . . 0.0 114.012 174.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 42.9 p -96.43 7.08 47.37 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.647 1.179 . . . . 0.0 113.229 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -75.98 -179.52 4.95 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.097 1.359 . . . . 0.0 111.832 177.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -62.92 -40.22 96.96 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 121.121 -0.987 . . . . 0.0 112.163 -170.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 39.3 mt -137.67 139.04 43.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 124.681 1.192 . . . . 0.0 109.873 170.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -128.75 136.04 50.03 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.21 1.004 . . . . 0.0 110.02 168.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -136.15 156.88 48.05 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.393 1.077 . . . . 0.0 111.928 177.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -127.4 103.4 7.35 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.593 1.157 . . . . 0.0 111.222 177.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 37.8 m0 -101.25 82.3 2.32 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.168 1.787 . . . . 0.0 111.001 -175.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -74.74 126.43 30.88 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 121.614 -0.679 . . . . 0.0 111.145 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 72.2 mt -141.51 172.35 12.81 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.301 1.84 . . . . 0.0 110.887 -176.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -59.56 170.21 1.11 Allowed 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.094 1.358 . . . . 0.0 113.358 173.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -113.49 93.97 29.78 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 126.142 1.777 . . . . 0.0 110.13 175.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -68.88 -15.87 40.76 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 123.387 2.725 . . . . 0.0 115.958 -173.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -54.88 108.21 0.37 Allowed 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.99 1.316 . . . . 0.0 111.925 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 80.47 13.48 81.61 Favored Glycine 0 CA--C 1.539 1.55 0 C-N-CA 124.242 0.925 . . . . 0.0 114.69 -178.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -91.24 -102.1 0.11 Allowed 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 118.587 1.193 . . . . 0.0 110.89 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 88.9 p -161.24 162.01 30.99 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 126.52 1.928 . . . . 0.0 110.496 -178.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 75.0 mt -64.69 -35.99 82.81 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.476 -0.765 . . . . 0.0 112.371 -178.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.27 -31.08 72.14 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 173.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 71.3 t -75.02 -39.29 44.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 O-C-N 120.853 -1.154 . . . . 0.0 111.569 172.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -58.82 -46.04 88.57 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.497 1.044 . . . . 0.0 111.334 169.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 58.7 mtp85 -61.57 -39.55 91.53 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.75 1.22 . . . . 0.0 112.117 176.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 46.3 m -61.26 -41.18 96.47 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.345 1.058 . . . . 0.0 112.261 175.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 53.6 t -70.46 -50.23 47.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 O-C-N 121.512 -0.743 . . . . 0.0 111.411 172.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -52.57 -47.31 66.92 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.74 1.616 . . . . 0.0 112.585 -176.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -62.01 -37.73 94.91 Favored Glycine 0 N--CA 1.474 1.185 0 C-N-CA 123.407 0.527 . . . . 0.0 113.24 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -76.14 -41.25 50.59 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.718 -0.872 . . . . 0.0 111.888 178.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 65.8 t -57.61 -46.09 86.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 O-C-N 121.257 -0.902 . . . . 0.0 111.342 170.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 38.0 tttm -57.04 -55.83 29.65 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.109 0.963 . . . . 0.0 111.28 175.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -63.94 -36.89 85.43 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 118.762 -0.637 . . . . 0.0 112.096 -174.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 38.6 mtt180 -68.33 -37.47 80.59 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 117.76 -1.114 . . . . 0.0 111.7 175.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 15.3 t -61.19 -50.44 80.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-N 120.013 1.279 . . . . 0.0 112.584 169.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -60.05 -35.73 75.76 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 120.658 1.572 . . . . 0.0 112.773 178.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.55 -30.62 64.59 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 177.261 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 48.0 tp -75.17 -51.3 13.74 Favored 'General case' 0 C--O 1.226 -0.157 0 C-N-CA 123.856 0.862 . . . . 0.0 111.521 177.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.9 pt -61.11 -33.91 58.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 CA-C-N 119.663 1.119 . . . . 0.0 111.985 -175.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.1 -21.73 66.65 Favored 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 175.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -85.62 -39.3 17.47 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.931 1.292 . . . . 0.0 113.167 175.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.0 pp -110.97 0.15 9.37 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 N-CA-C 116.551 2.056 . . . . 0.0 116.551 -169.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.9 m . . . . . 0 C--O 1.254 1.314 0 C-N-CA 124.017 0.927 . . . . 0.0 112.305 173.735 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.3 ttm . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 111.347 0.128 . . . . 0.0 111.347 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -128.79 164.79 22.26 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 126.35 1.86 . . . . 0.0 110.0 169.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.401 ' HE2' ' O ' ' A' ' 72' ' ' ASP . 1.5 mppt? -110.32 141.16 43.72 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.469 1.108 . . . . 0.0 111.5 -174.026 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.0 t -121.89 139.42 48.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.136 0.974 . . . . 0.0 109.914 177.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 5.4 tpp -129.88 132.1 46.3 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 124.026 0.93 . . . . 0.0 110.163 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -110.21 112.3 24.18 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.405 1.082 . . . . 0.0 111.718 -174.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.6 t -89.81 137.49 21.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 125.901 1.681 . . . . 0.0 111.136 170.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 36.8 t -132.52 176.58 8.31 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.032 1.733 . . . . 0.0 107.192 168.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.0 ttpp -63.89 -59.63 4.28 Favored 'General case' 0 N--CA 1.483 1.176 0 O-C-N 120.298 -1.501 . . . . 0.0 110.36 178.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.296 0.3 OUTLIER -114.05 3.04 15.15 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 117.316 2.339 . . . . 0.0 117.316 -178.052 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 53.32 31.78 12.45 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 126.585 1.954 . . . . 0.0 115.201 176.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.6 p -85.96 -36.09 20.04 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.444 1.498 . . . . 0.0 112.509 170.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.6 p -142.25 175.62 9.62 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.678 1.991 . . . . 0.0 111.242 -169.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 96.7 mtm-85 55.86 -76.36 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 127.272 2.229 . . . . 0.0 114.236 -173.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.4 p -50.23 -39.94 46.12 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 126.06 1.744 . . . . 0.0 113.892 177.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 43.0 mm-40 -67.67 -37.12 81.91 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.774 0.829 . . . . 0.0 112.293 176.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.5 mtt -69.44 -38.48 77.82 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.014 0.925 . . . . 0.0 111.897 171.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.31 -41.29 96.74 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 119.125 0.875 . . . . 0.0 111.424 178.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 73.2 tt0 -61.69 -41.77 98.03 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.338 0.655 . . . . 0.0 111.2 169.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.56 -44.95 97.3 Favored Glycine 0 N--CA 1.475 1.298 0 C-N-CA 124.659 1.123 . . . . 0.0 115.679 175.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -67.17 -47.53 70.68 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 121.12 -1.223 . . . . 0.0 110.747 174.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.7 -42.12 86.94 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.493 -0.755 . . . . 0.0 112.935 -177.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.6 ptmm? -62.83 -24.38 67.74 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 119.394 0.997 . . . . 0.0 113.387 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.0 m -91.24 -52.48 4.79 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.518 1.527 . . . . 0.0 112.478 176.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.3 mt -81.52 -28.87 33.79 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.431 1.093 . . . . 0.0 112.284 -170.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -101.52 14.46 57.87 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 126.601 2.048 . . . . 0.0 114.283 173.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.24 113.25 1.07 Allowed 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 118.653 1.227 . . . . 0.0 113.032 -173.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.34 -5.67 82.45 Favored Glycine 0 N--CA 1.474 1.167 0 C-N-CA 124.054 0.835 . . . . 0.0 114.762 175.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -105.83 -27.75 11.05 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.368 1.467 . . . . 0.0 112.745 169.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 pp -128.69 172.87 14.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 123.536 0.734 . . . . 0.0 112.62 170.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -132.69 143.42 49.62 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.613 1.165 . . . . 0.0 109.353 169.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -139.72 151.83 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 N-CA-C 115.158 1.54 . . . . 0.0 115.158 -169.366 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.9 m -145.18 153.05 40.94 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.925 1.69 . . . . 0.0 109.31 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 93.4 p -128.55 151.16 49.77 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 120.768 -1.208 . . . . 0.0 112.105 169.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 19.1 p -154.31 -177.91 6.77 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.943 1.297 . . . . 0.0 110.696 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -148.71 167.49 29.27 Favored Glycine 0 N--CA 1.464 0.508 0 O-C-N 120.336 -1.478 . . . . 0.0 112.818 169.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.53 -11.33 52.27 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 118.369 1.084 . . . . 0.0 112.979 175.47 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -148.17 172.85 13.66 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 127.688 2.395 . . . . 0.0 108.679 168.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.2 p -125.94 138.11 53.75 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.405 1.082 . . . . 0.0 112.333 -177.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.0 t -117.38 -130.73 0.31 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.265 1.826 . . . . 0.0 109.2 173.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.67 146.72 44.47 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 127.826 2.45 . . . . 0.0 109.081 170.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.78 129.21 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 CA-C-N 119.193 0.906 . . . . 0.0 108.664 169.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -72.88 129.45 86.58 Favored Pre-proline 0 CA--C 1.536 0.413 0 O-C-N 121.747 -0.596 . . . . 0.0 110.831 -171.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.61 -27.77 18.19 Favored 'Trans proline' 0 CA--C 1.536 0.591 0 CA-C-N 120.163 1.094 . . . . 0.0 112.184 -170.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.3 m -74.09 -28.55 61.42 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.433 -0.792 . . . . 0.0 111.658 175.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.61 -46.11 84.49 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 120.852 -1.155 . . . . 0.0 112.251 172.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.4 mt -60.2 -46.52 94.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 123.795 0.838 . . . . 0.0 110.063 175.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.61 -39.61 88.81 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 178.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 12.5 mmt -75.16 -23.87 57.84 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.139 1.375 . . . . 0.0 112.382 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -78.24 -36.06 47.48 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.329 1.052 . . . . 0.0 110.308 169.231 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -68.47 -25.44 64.99 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.01 -1.056 . . . . 0.0 113.095 178.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -59.67 -29.14 67.86 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 119.535 1.061 . . . . 0.0 112.882 171.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.4 m -102.48 12.47 7.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 125.295 1.438 . . . . 0.0 112.618 175.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.88 19.83 79.61 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 125.15 1.357 . . . . 0.0 115.118 177.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 52.1 mt -100.99 139.64 21.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 125.454 1.501 . . . . 0.0 109.953 -178.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -114.45 120.41 40.18 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.267 1.027 . . . . 0.0 111.689 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 34.9 pt -119.71 11.83 6.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.42 1.488 . . . . 0.0 113.012 170.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 89.8 p -65.77 -20.08 66.13 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 120.622 -1.299 . . . . 0.0 114.276 -173.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -79.38 -2.51 87.72 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 124.689 1.138 . . . . 0.0 115.151 172.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -93.1 156.66 16.73 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 119.017 1.409 . . . . 0.0 110.778 178.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 34.6 p -143.87 164.83 29.43 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 127.754 2.422 . . . . 0.0 105.893 177.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.1 m -79.28 134.16 36.64 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.285 -0.885 . . . . 0.0 111.726 179.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -136.57 147.51 60.03 Favored Pre-proline 0 N--CA 1.482 1.151 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -179.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -86.95 145.39 7.56 Favored 'Trans proline' 0 CA--C 1.542 0.875 0 C-N-CA 123.543 2.829 . . . . 0.0 114.216 -173.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 8.5 tt -57.44 -34.48 46.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 126.792 2.037 . . . . 0.0 112.095 178.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -61.35 -23.15 65.55 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 -177.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.51 -12.52 39.77 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 177.509 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -98.63 170.61 8.67 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.883 1.273 . . . . 0.0 113.963 -169.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -120.54 87.69 2.8 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.25 1.42 . . . . 0.0 113.096 -169.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.37 -35.05 26.36 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -59.24 -26.96 65.33 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.148 1.379 . . . . 0.0 114.178 -176.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.401 ' O ' ' HE2' ' A' ' 3' ' ' LYS . 33.2 t70 -85.95 -28.12 24.48 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 176.497 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -81.35 93.94 6.67 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 121.524 -0.735 . . . . 0.0 109.434 -174.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -48.49 -34.43 11.16 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.417 1.087 . . . . 0.0 111.853 177.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 45.5 t -127.03 137.92 56.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 C-N-CA 124.217 1.007 . . . . 0.0 110.912 172.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 52.5 t -122.76 136.7 58.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 123.858 0.863 . . . . 0.0 110.068 170.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 28.4 mm -121.85 135.5 61.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 C-N-CA 124.518 1.127 . . . . 0.0 109.117 -179.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.5 t -102.34 140.31 36.79 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 124.041 0.937 . . . . 0.0 109.933 169.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.3 mp . . . . . 0 CA--C 1.537 0.473 0 C-N-CA 126.033 1.733 . . . . 0.0 109.007 -179.118 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 61.4 t . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -137.97 1.23 2.25 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 115.726 1.75 . . . . 0.0 115.726 178.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 51.5 mt 42.95 61.37 9.62 Favored Pre-proline 0 CA--C 1.556 1.194 0 C-N-CA 126.0 1.72 . . . . 0.0 114.508 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -58.48 -17.05 32.3 Favored 'Trans proline' 0 CA--C 1.555 1.571 0 N-CA-C 118.874 2.605 . . . . 0.0 118.874 -177.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_exo -75.88 -159.5 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 CA-C-N 123.86 2.414 . . . . 0.0 114.156 175.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -58.6 -11.65 3.26 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 120.143 -1.598 . . . . 0.0 115.225 176.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 79.8 m95 -57.11 -20.68 27.02 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.765 2.026 . . . . 0.0 115.671 177.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 17.6 m -109.01 -12.6 10.96 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 -178.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.0 t -97.66 16.99 18.89 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-O 122.356 1.074 . . . . 0.0 112.707 -179.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -72.69 176.21 5.73 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.267 1.027 . . . . 0.0 110.31 169.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -63.01 -36.57 83.98 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 120.799 -1.188 . . . . 0.0 112.975 -169.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 34.9 mt -136.96 138.01 46.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 124.186 0.994 . . . . 0.0 109.948 169.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -127.97 135.7 50.29 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.411 1.084 . . . . 0.0 109.982 168.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -136.0 156.61 48.48 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.534 1.134 . . . . 0.0 111.812 176.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -128.04 104.12 7.61 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.704 1.202 . . . . 0.0 111.032 176.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 34.7 m0 -96.38 86.06 4.09 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.746 1.618 . . . . 0.0 110.456 -177.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -76.5 114.46 15.25 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.599 -0.688 . . . . 0.0 110.345 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 79.2 mt -136.37 171.83 13.9 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 126.324 1.85 . . . . 0.0 111.507 -177.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 21.9 mp0 -59.66 167.77 1.93 Allowed 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.87 2.068 . . . . 0.0 112.55 175.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -118.6 92.32 43.71 Favored Pre-proline 0 CA--C 1.545 0.788 0 C-N-CA 125.265 1.426 . . . . 0.0 111.666 -177.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -71.57 -17.92 29.59 Favored 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 123.764 2.976 . . . . 0.0 116.463 -170.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -56.31 101.1 0.05 OUTLIER 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 126.056 1.742 . . . . 0.0 111.412 -177.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 86.62 14.09 66.22 Favored Glycine 0 CA--C 1.54 1.656 0 C-N-CA 124.443 1.02 . . . . 0.0 115.415 -177.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -90.84 -106.69 0.1 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.115 1.366 . . . . 0.0 111.003 177.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.6 t -155.57 167.56 29.97 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 126.144 1.778 . . . . 0.0 110.172 173.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.0 mp -66.98 -31.44 72.01 Favored 'General case' 0 C--O 1.222 -0.381 0 C-N-CA 124.309 1.043 . . . . 0.0 112.114 -174.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -61.87 -35.06 77.19 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.17 -0.956 . . . . 0.0 111.874 171.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 87.6 t -74.21 -37.53 46.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 123.52 0.728 . . . . 0.0 110.903 175.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -60.83 -49.09 78.9 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 119.092 0.86 . . . . 0.0 111.355 170.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -59.28 -39.35 82.64 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.524 1.13 . . . . 0.0 111.642 177.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 58.7 m -65.65 -38.93 90.74 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.419 0.687 . . . . 0.0 112.336 178.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 38.4 t -67.46 -46.67 82.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 O-C-N 121.284 -0.885 . . . . 0.0 111.36 169.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.62 -44.49 73.19 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.392 1.077 . . . . 0.0 112.496 -176.124 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -61.11 -37.72 94.4 Favored Glycine 0 CA--C 1.533 1.206 0 CA-C-N 118.044 0.383 . . . . 0.0 112.773 -179.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -79.11 -45.98 18.95 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.261 0.624 . . . . 0.0 111.481 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 48.2 t -55.97 -43.43 75.01 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 O-C-N 120.95 -1.094 . . . . 0.0 111.155 172.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 41.9 tttm -58.43 -54.33 48.28 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.557 1.143 . . . . 0.0 111.666 173.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -64.89 -36.63 84.98 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 118.88 0.764 . . . . 0.0 112.242 -174.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 28.9 mmm180 -64.09 -42.77 96.81 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 118.11 -0.948 . . . . 0.0 111.172 173.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 20.9 t -60.54 -51.16 76.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 CA-C-O 117.854 -1.07 . . . . 0.0 113.039 171.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -59.26 -35.58 73.97 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 120.745 1.611 . . . . 0.0 112.631 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.11 -27.3 61.62 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 177.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 47.0 tp -80.93 -49.02 11.51 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 124.257 1.023 . . . . 0.0 111.963 178.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 10.9 pt -64.1 -28.59 45.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 CA-C-N 119.1 0.864 . . . . 0.0 112.645 -175.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.0 -19.43 63.33 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 174.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -88.13 -44.24 11.06 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.974 1.31 . . . . 0.0 112.728 174.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.286 1.3 pp -100.36 -3.18 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 N-CA-C 116.822 2.156 . . . . 0.0 116.822 -169.65 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 66.7 p . . . . . 0 C--O 1.253 1.254 0 CA-C-N 120.192 1.36 . . . . 0.0 114.012 177.153 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.417 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 10.7 ttt . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 111.433 0.16 . . . . 0.0 111.433 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -130.52 164.94 23.76 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 125.76 1.624 . . . . 0.0 110.894 170.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -108.78 141.34 40.92 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.549 1.14 . . . . 0.0 112.054 -176.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.5 t -121.91 141.14 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 124.626 1.17 . . . . 0.0 109.75 179.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.7 tpp -131.28 134.36 46.32 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.69 0.796 . . . . 0.0 110.418 178.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -105.36 130.82 53.39 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 124.584 1.154 . . . . 0.0 111.098 -177.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.5 t -113.14 134.71 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 126.647 1.979 . . . . 0.0 109.483 172.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.3 t -135.28 171.03 15.02 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.717 1.207 . . . . 0.0 110.314 171.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.12 -26.89 64.17 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -172.018 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.62 4.29 1.73 Allowed 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 116.865 2.172 . . . . 0.0 116.865 170.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 53.62 33.0 15.48 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 126.389 1.875 . . . . 0.0 115.46 178.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.9 p -89.14 -41.77 12.07 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.935 1.294 . . . . 0.0 112.414 176.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.7 t -132.0 -156.93 0.78 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 126.976 2.11 . . . . 0.0 110.08 178.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 50.64 -89.95 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 127.335 2.254 . . . . 0.0 113.039 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.9 p -41.25 -43.76 2.47 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 126.815 2.046 . . . . 0.0 114.547 171.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -65.93 -35.66 81.21 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 121.132 -0.98 . . . . 0.0 112.645 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 43.8 mtt -70.39 -33.22 71.14 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.637 0.775 . . . . 0.0 111.819 172.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.83 -40.25 94.88 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.408 0.683 . . . . 0.0 112.018 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -62.65 -40.92 98.54 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.969 -0.457 . . . . 0.0 111.043 169.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.12 -48.8 80.73 Favored Glycine 0 N--CA 1.472 1.073 0 C-N-CA 124.191 0.901 . . . . 0.0 114.111 175.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -69.72 -45.32 68.47 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 118.623 1.211 . . . . 0.0 111.703 176.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.18 -41.81 94.24 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.551 -0.718 . . . . 0.0 112.643 -177.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -65.93 -25.22 67.03 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-N 119.769 1.168 . . . . 0.0 113.222 -179.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.5 m -89.85 -48.83 6.99 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.604 1.562 . . . . 0.0 112.347 179.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 69.7 mt -85.24 -30.83 23.52 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.676 1.19 . . . . 0.0 112.118 -173.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -100.14 15.28 59.31 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 126.72 2.105 . . . . 0.0 114.463 172.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -45.88 109.54 0.19 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.134 1.373 . . . . 0.0 113.754 -175.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.59 -18.4 15.2 Favored Glycine 0 CA--C 1.532 1.153 0 C-N-CA 124.822 1.201 . . . . 0.0 114.631 175.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 1' ' ' MET . 17.2 ptmt -85.8 -26.03 25.98 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 118.336 1.068 . . . . 0.0 112.63 169.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.3 pp -133.5 171.12 18.58 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 C-N-CA 123.941 0.896 . . . . 0.0 111.576 169.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -131.26 147.6 52.6 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.221 1.008 . . . . 0.0 109.505 168.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.64 151.31 20.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 N-CA-C 115.409 1.633 . . . . 0.0 115.409 -169.202 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.0 m -139.86 150.54 44.76 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.661 1.584 . . . . 0.0 110.061 177.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.6 t -122.29 139.69 53.51 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.816 1.646 . . . . 0.0 111.981 175.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 15.2 p -154.35 -177.79 6.69 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.735 1.614 . . . . 0.0 111.871 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -143.57 165.18 27.23 Favored Glycine 0 N--CA 1.468 0.775 0 O-C-N 120.261 -1.524 . . . . 0.0 112.193 169.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.442 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.6 OUTLIER -66.81 -10.39 47.25 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 118.386 1.093 . . . . 0.0 113.197 174.195 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -155.63 168.43 27.18 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 128.304 2.642 . . . . 0.0 108.664 169.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.2 t -118.36 146.8 44.11 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.255 1.022 . . . . 0.0 113.002 -171.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 35.1 t -126.83 -116.25 0.27 Allowed 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 126.651 1.98 . . . . 0.0 109.472 173.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.62 150.61 42.22 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 127.66 2.384 . . . . 0.0 109.482 172.366 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.2 t -58.42 132.24 23.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 CA-C-N 119.244 0.929 . . . . 0.0 109.823 170.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -78.96 124.59 84.77 Favored Pre-proline 0 N--CA 1.465 0.28 0 CA-C-O 119.075 -0.488 . . . . 0.0 110.552 -178.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -73.2 -21.4 20.29 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 121.062 1.174 . . . . 0.0 112.29 -170.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.8 m -74.49 -28.4 60.99 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 121.254 -0.904 . . . . 0.0 111.481 172.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.05 -42.69 95.01 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.841 1.2 . . . . 0.0 111.452 172.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -58.68 -45.39 90.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 123.582 0.753 . . . . 0.0 109.28 175.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.69 -43.43 98.83 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 178.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 11.6 mmt -70.17 -22.72 62.93 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.913 0.885 . . . . 0.0 112.481 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 78.8 mmm -82.42 -35.09 27.95 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.775 0.83 . . . . 0.0 111.858 169.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -64.8 -26.18 68.23 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 120.834 -1.166 . . . . 0.0 112.262 172.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -63.66 -17.83 63.34 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 172.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.4 m -114.98 13.34 8.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 125.754 1.622 . . . . 0.0 112.734 171.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.44 22.6 78.59 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 124.756 1.17 . . . . 0.0 115.2 176.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.3 mt -111.08 138.03 41.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 125.396 1.478 . . . . 0.0 109.656 179.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -99.64 134.72 42.12 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.394 1.078 . . . . 0.0 112.029 177.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.7 pt -130.65 14.52 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 C-N-CA 124.114 0.965 . . . . 0.0 111.943 169.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.0 m -69.9 -23.25 63.21 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.355 1.462 . . . . 0.0 113.893 -171.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -80.32 2.24 77.83 Favored Glycine 0 CA--C 1.539 1.57 0 C-N-CA 124.899 1.238 . . . . 0.0 114.717 175.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -99.2 158.79 15.45 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.332 1.453 . . . . 0.0 110.092 176.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.1 t -149.87 176.16 10.99 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 106.313 -1.736 . . . . 0.0 106.313 169.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.4 m -74.97 134.79 41.42 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.943 -177.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -139.4 145.28 43.47 Favored Pre-proline 0 CA--C 1.547 0.846 0 C-N-CA 124.689 1.195 . . . . 0.0 113.51 177.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -85.8 144.77 8.76 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 123.719 2.946 . . . . 0.0 113.684 -176.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.4 tt -56.61 -36.31 47.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 126.617 1.967 . . . . 0.0 111.771 177.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -60.88 -24.29 65.83 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -176.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -85.1 -15.1 45.05 Favored 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 177.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -100.74 177.3 5.03 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.777 1.231 . . . . 0.0 113.219 -171.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -117.6 97.54 5.92 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.97 1.708 . . . . 0.0 112.771 -171.361 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.62 -28.66 63.88 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 121.342 -0.849 . . . . 0.0 113.252 177.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -62.72 -36.22 82.27 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.962 1.705 . . . . 0.0 114.052 -176.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -87.05 -32.19 20.11 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -175.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -72.83 105.24 4.29 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 177.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -55.35 -31.45 61.74 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.815 0.846 . . . . 0.0 111.92 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 57.4 t -131.77 140.35 48.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 125.387 1.475 . . . . 0.0 110.202 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 51.1 t -126.81 139.32 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 123.99 0.916 . . . . 0.0 110.087 173.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 25.1 mm -126.81 133.28 68.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 124.352 1.061 . . . . 0.0 110.434 -174.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 45.0 t -99.54 136.5 39.38 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.819 0.848 . . . . 0.0 111.353 169.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.3 mp . . . . . 0 N--CA 1.469 0.484 0 C-N-CA 125.831 1.652 . . . . 0.0 109.872 176.078 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 60.3 t . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -140.06 5.42 2.12 Favored 'General case' 0 CA--C 1.551 0.981 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 178.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 66.4 mt 41.92 68.27 2.74 Favored Pre-proline 0 N--CA 1.482 1.168 0 C-N-CA 126.508 1.923 . . . . 0.0 114.843 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -51.53 -29.41 31.89 Favored 'Trans proline' 0 CA--C 1.556 1.602 0 C-N-CA 123.284 2.656 . . . . 0.0 118.937 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_exo -75.24 -159.49 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.102 0 C-N-CA 122.851 2.367 . . . . 0.0 115.595 -177.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -57.98 -3.72 0.26 Allowed 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.981 1.712 . . . . 0.0 115.165 171.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -76.02 8.06 3.53 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.063 1.745 . . . . 0.0 115.277 173.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 34.7 m -132.94 10.63 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 125.073 1.349 . . . . 0.0 113.411 169.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 62.1 p -99.74 10.73 40.84 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.831 1.252 . . . . 0.0 112.931 -179.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 21.7 mp0 -59.57 177.04 0.22 Allowed 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 129.246 3.018 . . . . 0.0 114.118 177.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -65.5 -43.13 91.08 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.235 169.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 36.4 mt -137.42 141.08 40.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 125.431 1.493 . . . . 0.0 109.852 173.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -130.8 132.54 45.31 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.368 1.067 . . . . 0.0 108.797 168.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -135.05 152.69 51.92 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.431 1.093 . . . . 0.0 111.323 178.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -132.31 66.09 1.56 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.101 0.96 . . . . 0.0 111.773 -175.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -71.02 99.69 1.86 Allowed 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.031 -1.043 . . . . 0.0 110.303 179.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -78.9 124.08 27.88 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.4 -0.812 . . . . 0.0 110.724 -173.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 96.1 mt -139.95 151.45 45.56 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.687 1.595 . . . . 0.0 108.702 -179.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -71.87 160.37 32.67 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 121.553 0.692 . . . . 0.0 112.0 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -93.85 115.88 65.71 Favored Pre-proline 0 CA--C 1.547 0.839 0 CA-C-O 118.62 -0.705 . . . . 0.0 111.749 -178.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -73.43 -9.1 22.66 Favored 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 123.268 2.645 . . . . 0.0 116.765 -174.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -57.71 110.49 0.9 Allowed 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 119.913 1.233 . . . . 0.0 111.86 -176.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.64 15.81 80.46 Favored Glycine 0 CA--C 1.539 1.554 0 CA-C-O 119.101 -0.833 . . . . 0.0 114.712 -179.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -85.65 -96.67 0.07 Allowed 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 118.374 1.087 . . . . 0.0 110.863 178.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 53.9 p -159.44 162.01 35.6 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 126.563 1.945 . . . . 0.0 109.344 172.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.9 mp -69.83 -24.78 63.5 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.51 -0.744 . . . . 0.0 111.313 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -66.29 -39.19 89.21 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 121.053 -1.03 . . . . 0.0 111.44 169.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.2 t -66.89 -40.71 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 O-C-N 121.222 -0.924 . . . . 0.0 110.958 172.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -59.01 -49.04 79.43 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 119.817 1.19 . . . . 0.0 111.56 173.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 81.2 mtt-85 -60.14 -39.26 85.7 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.879 0.871 . . . . 0.0 111.792 177.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 98.5 m -64.2 -46.11 85.36 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.069 0.947 . . . . 0.0 111.457 177.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 57.3 t -68.74 -46.36 79.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 123.568 0.747 . . . . 0.0 110.984 177.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 49.4 ttp180 -52.52 -48.56 65.97 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.581 1.552 . . . . 0.0 112.113 176.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -58.92 -38.46 92.65 Favored Glycine 0 N--CA 1.472 1.043 0 C-N-CA 124.0 0.809 . . . . 0.0 113.071 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -74.57 -46.98 35.23 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 117.928 0.864 . . . . 0.0 112.412 173.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 99.6 t -52.82 -40.51 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 CA-C-N 120.218 1.372 . . . . 0.0 111.394 175.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 38.0 tttm -57.8 -57.6 12.03 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.884 0.874 . . . . 0.0 111.742 171.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -66.34 -35.12 79.56 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -173.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -64.66 -41.81 95.83 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.49 1.041 . . . . 0.0 110.398 175.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 11.8 t -62.65 -50.49 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 CA-C-O 117.592 -1.194 . . . . 0.0 113.114 170.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -57.45 -35.69 70.44 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 121.298 1.863 . . . . 0.0 113.019 178.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -25.31 59.68 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 112.997 0.739 . . . . 0.0 112.997 178.358 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 59.3 tp -82.82 -47.89 11.39 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.554 1.141 . . . . 0.0 111.851 177.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 11.8 pt -63.79 -29.27 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 CA-C-N 119.533 1.061 . . . . 0.0 112.699 -175.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.13 -21.83 64.91 Favored 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 174.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -86.18 -42.52 13.76 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.244 1.418 . . . . 0.0 112.871 175.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.293 1.4 pp -104.32 2.17 10.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 N-CA-C 116.45 2.019 . . . . 0.0 116.45 -170.261 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 32.3 t . . . . . 0 C--O 1.255 1.365 0 CA-C-N 119.344 0.975 . . . . 0.0 112.267 169.65 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.416 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 11.5 ttt . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 119.911 -0.09 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -130.77 164.29 25.44 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 125.87 1.668 . . . . 0.0 112.051 174.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.402 ' HB2' ' HE2' ' A' ' 3' ' ' LYS . 2.2 mppt? -107.02 136.7 46.44 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.027 1.331 . . . . 0.0 110.963 -177.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.3 t -122.38 139.94 47.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 124.225 1.01 . . . . 0.0 109.923 177.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 8.2 tpp -131.22 133.95 45.97 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.024 0.93 . . . . 0.0 110.67 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -112.32 118.06 34.2 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.723 1.209 . . . . 0.0 112.169 -173.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.4 t -96.16 138.59 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 126.52 1.928 . . . . 0.0 111.515 174.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 48.9 t -137.29 178.32 7.19 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.866 1.667 . . . . 0.0 109.305 169.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -54.96 -60.74 2.95 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 120.009 1.277 . . . . 0.0 112.206 178.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -126.03 16.43 7.91 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 115.402 1.63 . . . . 0.0 115.402 -177.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 52.21 37.01 20.82 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 127.1 2.16 . . . . 0.0 113.739 -176.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.9 p -91.15 -49.49 6.36 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.904 1.681 . . . . 0.0 112.402 -179.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.6 t -131.77 179.18 6.22 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.968 1.707 . . . . 0.0 110.691 -178.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.1 mtt85 54.53 -73.08 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 128.089 2.556 . . . . 0.0 114.37 -171.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.7 p -51.61 -38.94 56.9 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 126.439 1.895 . . . . 0.0 113.77 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -71.39 -36.04 71.27 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.31 0.644 . . . . 0.0 111.67 177.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 45.4 mtt -68.43 -40.25 81.24 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.68 0.792 . . . . 0.0 111.08 171.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.41 -43.72 88.74 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.027 0.931 . . . . 0.0 111.631 177.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 -61.02 -40.45 93.63 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.5 0.72 . . . . 0.0 111.309 169.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.08 -51.02 59.91 Favored Glycine 0 N--CA 1.472 1.061 0 C-N-CA 125.75 1.643 . . . . 0.0 115.319 173.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -67.55 -46.33 73.07 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.751 1.776 . . . . 0.0 110.131 176.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.1 -41.72 90.24 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 113.21 0.818 . . . . 0.0 113.21 -173.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -62.01 -26.9 68.5 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-N 119.307 0.958 . . . . 0.0 113.005 178.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.6 m -90.35 -52.38 4.95 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.954 1.701 . . . . 0.0 112.699 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 76.6 mt -85.11 -29.4 24.87 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.181 1.392 . . . . 0.0 112.327 -171.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -98.81 11.85 62.6 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 126.172 1.844 . . . . 0.0 114.452 173.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.5 111.42 0.49 Allowed 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 119.234 1.517 . . . . 0.0 113.392 -173.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.15 -18.28 23.45 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 124.715 1.15 . . . . 0.0 115.036 176.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 1' ' ' MET . 16.8 ptmt -88.74 -26.06 21.97 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.299 1.04 . . . . 0.0 112.706 169.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 pp -133.98 170.82 19.02 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 123.968 0.907 . . . . 0.0 111.987 169.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.5 145.18 51.19 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.141 0.976 . . . . 0.0 109.599 168.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -140.37 151.03 21.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 N-CA-C 115.174 1.546 . . . . 0.0 115.174 -169.378 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.9 m -145.75 151.09 37.41 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.902 1.681 . . . . 0.0 109.139 178.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 89.0 p -124.33 150.26 45.67 Favored 'General case' 0 N--CA 1.468 0.425 0 O-C-N 120.944 -1.098 . . . . 0.0 111.839 169.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 15.8 p -153.91 -176.17 5.72 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.446 1.498 . . . . 0.0 110.664 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -153.56 168.54 32.17 Favored Glycine 0 C--O 1.223 -0.562 0 O-C-N 120.323 -1.486 . . . . 0.0 112.759 171.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.29 -12.87 59.05 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 118.634 1.217 . . . . 0.0 112.932 174.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -138.44 176.64 8.52 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 127.766 2.427 . . . . 0.0 109.55 169.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.8 p -136.38 144.89 44.8 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.147 1.379 . . . . 0.0 111.31 171.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 40.5 m -137.4 -75.66 0.41 Allowed 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.156 0.583 . . . . 0.0 112.481 170.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.15 161.79 22.45 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 126.841 2.057 . . . . 0.0 109.843 169.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.8 t -62.42 137.52 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 CA-C-N 119.498 1.045 . . . . 0.0 108.512 169.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -66.24 124.55 88.29 Favored Pre-proline 0 N--CA 1.466 0.371 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 174.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.43 -24.96 30.62 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 CA-C-N 120.298 1.142 . . . . 0.0 112.205 -169.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.1 m -71.95 -29.35 64.18 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.441 -0.787 . . . . 0.0 111.932 173.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.59 -44.49 93.34 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 120.625 -1.297 . . . . 0.0 111.523 174.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.1 mt -59.0 -43.82 89.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.847 0.859 . . . . 0.0 110.81 174.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.85 -37.12 86.19 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 177.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 14.4 mmt -74.46 -29.17 61.35 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.988 1.315 . . . . 0.0 112.768 178.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 85.1 mmm -75.78 -31.97 59.71 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.696 0.68 . . . . 0.0 111.514 169.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -68.61 -23.36 64.44 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.361 -0.837 . . . . 0.0 113.224 174.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -60.48 -32.34 71.33 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.851 1.205 . . . . 0.0 112.705 171.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.1 m -98.44 10.63 6.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 125.033 1.333 . . . . 0.0 112.526 176.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.9 19.34 78.18 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 124.83 1.205 . . . . 0.0 114.759 176.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 63.7 mt -101.87 129.61 52.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 124.734 1.214 . . . . 0.0 110.18 -179.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -97.14 118.74 34.24 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -177.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 9.4 pt -122.23 14.26 5.74 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 C-N-CA 125.049 1.34 . . . . 0.0 111.893 169.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.2 m -65.25 -30.83 71.74 Favored 'General case' 0 N--CA 1.48 1.057 0 O-C-N 120.74 -1.225 . . . . 0.0 113.063 -172.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -83.31 3.09 85.89 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 124.803 1.192 . . . . 0.0 114.95 176.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -86.61 158.8 19.41 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.348 1.574 . . . . 0.0 110.896 176.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 23.7 p -140.94 161.36 38.0 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 127.917 2.487 . . . . 0.0 107.682 -178.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 65.3 p -87.53 137.63 32.18 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.515 -0.74 . . . . 0.0 112.731 178.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -137.72 146.67 53.94 Favored Pre-proline 0 N--CA 1.478 0.963 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 -178.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -87.65 146.0 6.93 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 123.623 2.882 . . . . 0.0 113.912 -172.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.7 tt -55.87 -35.34 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 127.508 2.323 . . . . 0.0 112.153 178.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -60.39 -23.96 64.75 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.641 1.177 . . . . 0.0 113.947 -178.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.06 -14.25 34.21 Favored 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 178.396 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -96.14 171.83 8.36 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.637 1.175 . . . . 0.0 113.501 -169.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -121.26 86.65 2.61 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.461 1.505 . . . . 0.0 112.452 -169.581 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.88 -34.27 27.49 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -178.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -58.99 -26.38 64.46 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.337 1.455 . . . . 0.0 114.184 -178.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -93.41 0.99 57.03 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 178.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -106.62 103.21 12.61 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.188 -0.945 . . . . 0.0 108.815 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -51.71 -38.57 55.74 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.48 0.712 . . . . 0.0 111.186 175.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 38.5 t -126.81 136.58 60.38 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 C-N-CA 124.102 0.961 . . . . 0.0 110.422 177.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 48.7 t -121.44 137.76 54.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 123.781 0.833 . . . . 0.0 109.697 170.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 30.3 mm -123.42 137.49 56.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 124.554 1.142 . . . . 0.0 109.748 -177.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.0 t -105.28 135.84 45.9 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.415 0.686 . . . . 0.0 110.758 169.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.2 mp . . . . . 0 N--CA 1.472 0.63 0 C-N-CA 125.356 1.463 . . . . 0.0 109.896 -178.09 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 30.9 t . . . . . 0 N--CA 1.476 0.843 0 N-CA-C 111.506 0.188 . . . . 0.0 111.506 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -134.98 -6.07 2.38 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 115.707 1.743 . . . . 0.0 115.707 -177.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.5 mt 44.24 65.8 5.6 Favored Pre-proline 0 CA--C 1.555 1.142 0 C-N-CA 126.341 1.856 . . . . 0.0 114.806 -179.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -51.17 -28.64 26.3 Favored 'Trans proline' 0 CA--C 1.555 1.539 0 N-CA-C 119.196 2.729 . . . . 0.0 119.196 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -76.12 -160.83 0.12 Allowed 'Trans proline' 0 CA--C 1.549 1.247 0 C-N-CA 122.713 2.275 . . . . 0.0 114.655 -177.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -58.07 -8.81 1.15 Allowed 'General case' 0 N--CA 1.478 0.97 0 O-C-N 120.073 -1.642 . . . . 0.0 115.009 175.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 89.3 m95 -58.67 -16.77 17.78 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.797 1.639 . . . . 0.0 114.714 171.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.6 m -117.77 1.95 7.69 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 174.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 37.4 p -94.14 2.1 56.01 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.142 0.977 . . . . 0.0 113.054 176.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 -71.8 175.16 5.98 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.284 1.034 . . . . 0.0 112.055 174.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -63.81 -36.66 84.62 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 113.083 0.771 . . . . 0.0 113.083 -169.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 44.5 mt -137.23 137.82 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.019 0.927 . . . . 0.0 110.504 170.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -128.17 133.31 48.89 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.346 1.058 . . . . 0.0 109.515 168.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -135.57 150.55 49.74 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.473 1.109 . . . . 0.0 111.181 174.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -120.3 112.58 19.21 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 122.049 0.928 . . . . 0.0 111.616 173.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.426 ' CE2' ' HB3' ' A' ' 122' ' ' ARG . 37.3 m0 -100.25 78.32 2.04 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 126.087 1.755 . . . . 0.0 109.894 -174.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -73.87 118.94 17.41 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.028 0.531 . . . . 0.0 110.333 -178.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 81.0 mt -135.26 171.18 14.8 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.486 1.914 . . . . 0.0 110.095 177.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -68.43 177.61 2.31 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.622 0.769 . . . . 0.0 112.516 176.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -117.92 98.25 51.41 Favored Pre-proline 0 CA--C 1.548 0.882 0 C-N-CA 124.623 1.169 . . . . 0.0 112.403 -169.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -70.41 -15.09 34.61 Favored 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 123.79 2.993 . . . . 0.0 117.265 -169.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -57.57 113.46 1.81 Allowed 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 119.571 1.078 . . . . 0.0 112.236 -176.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.33 15.02 81.79 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 123.861 0.743 . . . . 0.0 114.036 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -88.37 -105.73 0.08 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.33 1.052 . . . . 0.0 110.742 177.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 67.0 m -154.35 156.54 37.08 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.939 2.096 . . . . 0.0 109.365 -176.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 67.5 mt -62.36 -34.63 77.04 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.377 -0.827 . . . . 0.0 112.249 178.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -58.44 -37.37 75.28 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.573 0.749 . . . . 0.0 112.211 172.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 56.7 t -74.08 -38.57 49.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 O-C-N 122.047 -0.408 . . . . 0.0 110.515 178.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -60.19 -46.89 88.18 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 118.21 0.459 . . . . 0.0 111.299 170.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 59.3 mtp85 -60.28 -39.54 87.25 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.967 1.307 . . . . 0.0 112.162 176.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 56.0 m -64.33 -38.66 91.83 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.575 1.15 . . . . 0.0 112.093 176.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 53.6 t -72.92 -50.16 34.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 O-C-N 121.685 -0.635 . . . . 0.0 111.209 172.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -46.6 -52.09 14.3 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 126.645 1.978 . . . . 0.0 112.096 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -59.73 -42.29 97.9 Favored Glycine 0 N--CA 1.473 1.13 0 C-N-CA 123.796 0.712 . . . . 0.0 113.725 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -72.82 -36.62 67.54 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.226 -1.161 . . . . 0.0 112.032 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 41.1 t -66.37 -41.8 89.46 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 O-C-N 121.023 -1.048 . . . . 0.0 110.787 172.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -56.73 -46.78 81.12 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.34 1.056 . . . . 0.0 110.924 171.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -56.67 -52.79 63.56 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.083 0.553 . . . . 0.0 111.835 174.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.489 ' HA ' HD21 ' A' ' 125' ' ' ASN . 24.5 mmm180 -60.88 -36.44 79.19 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 118.302 -0.856 . . . . 0.0 111.376 -176.392 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 52.3 t -65.71 -54.7 24.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-O 117.621 -1.181 . . . . 0.0 113.962 169.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -58.71 -36.18 73.85 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 121.062 1.755 . . . . 0.0 112.056 -178.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.489 HD21 ' HA ' ' A' ' 122' ' ' ARG . 0.0 OUTLIER -77.32 -26.78 52.49 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 179.336 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 56.2 tp -73.91 -51.5 15.94 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 124.367 1.067 . . . . 0.0 112.876 170.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 11.2 pt -62.24 -29.62 47.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 CA-C-N 119.54 1.064 . . . . 0.0 111.958 -174.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.96 -23.08 66.53 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 176.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -96.44 -32.89 12.1 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 114.973 1.471 . . . . 0.0 114.973 175.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.275 1.8 pp -101.1 -5.93 9.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 N-CA-C 117.14 2.274 . . . . 0.0 117.14 -177.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 48.3 m . . . . . 0 C--O 1.254 1.323 0 CA-C-N 120.504 1.502 . . . . 0.0 113.012 177.544 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.459 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 15.6 ttt . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 119.624 -0.227 . . . . 0.0 111.436 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 42.7 mttm -130.33 163.91 25.79 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 125.451 1.5 . . . . 0.0 112.355 174.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.418 ' HB2' ' HE2' ' A' ' 3' ' ' LYS . 1.5 mppt? -104.99 137.12 43.22 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.606 1.162 . . . . 0.0 111.216 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.5 t -124.21 138.84 52.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 124.571 1.148 . . . . 0.0 109.721 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 5.4 tpp -131.76 133.43 44.76 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.708 0.803 . . . . 0.0 110.035 -177.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -104.48 140.86 37.34 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.609 0.764 . . . . 0.0 111.763 -176.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.3 t -122.12 127.64 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 126.68 1.992 . . . . 0.0 110.28 174.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 40.4 t -126.76 172.08 10.65 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.906 1.683 . . . . 0.0 108.8 169.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.1 ttpp -61.27 -52.42 64.81 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 119.245 0.93 . . . . 0.0 111.744 -175.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.337 0.2 OUTLIER -120.91 9.46 10.64 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 117.312 2.338 . . . . 0.0 117.312 175.879 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 54.23 27.81 8.34 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 116.012 1.856 . . . . 0.0 116.012 178.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.4 p -87.4 -38.5 16.11 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.507 1.523 . . . . 0.0 111.946 174.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.5 t -139.95 -176.67 4.67 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.779 1.632 . . . . 0.0 110.693 -176.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 77.5 mtm180 57.71 -80.34 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 126.892 2.077 . . . . 0.0 113.178 -174.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 56.8 p -45.72 -42.97 12.42 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 127.251 2.22 . . . . 0.0 114.453 176.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -71.38 -36.48 71.43 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 121.777 -0.577 . . . . 0.0 111.086 -178.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 54.8 mtm -73.66 -30.63 63.03 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 121.149 -0.969 . . . . 0.0 112.002 173.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.8 97.96 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.959 0.904 . . . . 0.0 111.563 171.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -62.81 -41.17 99.19 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 119.134 -0.46 . . . . 0.0 111.532 170.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.65 -47.91 68.35 Favored Glycine 0 N--CA 1.474 1.181 0 C-N-CA 125.007 1.289 . . . . 0.0 114.513 174.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -70.86 -44.72 65.8 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 118.801 1.301 . . . . 0.0 112.116 175.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.73 -38.84 90.26 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -177.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -67.84 -25.56 65.61 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 119.755 1.161 . . . . 0.0 113.155 178.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.3 m -86.07 -55.98 3.68 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.381 1.472 . . . . 0.0 112.757 175.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 71.4 mt -82.63 -22.43 34.71 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.342 1.457 . . . . 0.0 112.655 -172.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -102.1 8.76 55.94 Favored Glycine 0 CA--C 1.53 0.996 0 C-N-CA 126.609 2.052 . . . . 0.0 114.324 174.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.34 112.84 0.75 Allowed 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 119.728 1.764 . . . . 0.0 112.561 -179.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.21 -22.23 8.82 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 124.776 1.179 . . . . 0.0 114.34 -178.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 1' ' ' MET . 34.8 mtpt -75.7 -39.03 58.1 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.98 1.312 . . . . 0.0 111.019 169.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.4 pp -142.68 171.31 10.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 125.178 1.391 . . . . 0.0 112.326 -176.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -126.09 142.15 51.64 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.869 1.268 . . . . 0.0 108.633 168.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.08 148.39 27.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 N-CA-C 114.749 1.389 . . . . 0.0 114.749 -169.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.6 m -137.95 146.15 42.87 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.281 1.433 . . . . 0.0 109.963 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.2 t -115.13 136.37 53.19 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.745 1.218 . . . . 0.0 112.247 176.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 12.0 p -150.53 -177.94 6.26 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.471 1.108 . . . . 0.0 112.75 177.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -155.11 166.06 32.44 Favored Glycine 0 N--CA 1.465 0.602 0 O-C-N 120.401 -1.437 . . . . 0.0 112.388 171.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.417 ' H ' HD23 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -67.57 -12.19 59.81 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 118.341 1.07 . . . . 0.0 113.256 174.083 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -136.91 166.75 22.9 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 127.876 2.47 . . . . 0.0 107.808 169.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.0 p -135.8 118.06 15.6 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.211 -0.93 . . . . 0.0 112.81 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.3 t -141.74 146.25 35.78 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 126.168 1.787 . . . . 0.0 110.107 169.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -31.43 140.93 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 129.472 3.109 . . . . 0.0 115.669 -174.581 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.6 t -54.86 130.58 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 172.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -65.42 123.79 85.35 Favored Pre-proline 0 C--O 1.234 0.256 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 178.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.76 -22.52 31.98 Favored 'Trans proline' 0 CA--C 1.54 0.797 0 CA-C-N 120.212 1.111 . . . . 0.0 112.014 -168.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 55.9 m -68.04 -27.71 66.76 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.065 -1.022 . . . . 0.0 111.842 171.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.62 98.99 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 120.431 -1.418 . . . . 0.0 111.83 173.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mp -56.21 -49.16 77.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 171.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.68 -36.44 82.9 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 -177.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 10.3 mmt -76.27 -29.65 57.52 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 123.938 0.895 . . . . 0.0 111.703 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 84.6 mmm -74.51 -30.59 61.86 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.163 0.892 . . . . 0.0 111.789 169.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -66.94 -25.28 66.27 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.739 -1.226 . . . . 0.0 112.905 174.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -62.61 -28.15 69.69 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 119.876 1.216 . . . . 0.0 112.835 174.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.0 m -102.13 10.28 8.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 125.632 1.573 . . . . 0.0 112.524 176.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.66 23.03 78.63 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.991 1.281 . . . . 0.0 115.424 176.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 71.1 mt -109.16 142.19 22.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 125.389 1.476 . . . . 0.0 110.055 -178.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -111.42 121.5 45.36 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.012 0.925 . . . . 0.0 112.892 -176.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.5 pt -126.28 23.32 3.16 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 C-N-CA 125.182 1.393 . . . . 0.0 111.885 169.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 95.9 p -78.16 -24.76 47.16 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 120.786 -1.196 . . . . 0.0 113.416 179.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -85.65 13.09 57.4 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 125.376 1.465 . . . . 0.0 115.281 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -127.62 163.38 24.35 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.221 1.511 . . . . 0.0 112.113 -178.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 37.1 p -137.27 170.39 16.16 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 127.375 2.27 . . . . 0.0 108.174 -169.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.1 p -85.14 147.18 26.75 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 177.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -143.38 145.44 32.02 Favored Pre-proline 0 CA--C 1.55 0.972 0 C-N-CA 124.024 0.929 . . . . 0.0 113.232 177.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -86.6 146.99 8.4 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 123.406 2.737 . . . . 0.0 113.446 -173.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.7 tt -54.88 -34.21 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 127.061 2.145 . . . . 0.0 111.849 177.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -59.25 -26.57 65.02 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.495 1.518 . . . . 0.0 114.081 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.51 -13.09 38.19 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 179.239 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -98.25 170.58 8.78 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.894 1.278 . . . . 0.0 113.519 -169.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -122.56 85.36 2.4 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.323 1.449 . . . . 0.0 112.188 -169.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.79 -35.09 42.74 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -178.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -55.87 -26.53 47.45 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.049 1.74 . . . . 0.0 114.488 -178.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -83.79 -31.6 25.81 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 175.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -79.33 108.45 12.86 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.566 0.746 . . . . 0.0 109.288 -172.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -51.2 -36.46 41.57 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.678 0.791 . . . . 0.0 111.291 174.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 38.6 t -133.56 138.5 50.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 C-N-CA 124.227 1.011 . . . . 0.0 111.235 -178.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 52.0 t -123.76 137.2 57.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.225 1.01 . . . . 0.0 110.518 173.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 29.7 mm -129.46 111.1 21.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 124.365 1.066 . . . . 0.0 110.942 -171.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.7 t -84.7 145.74 27.79 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.666 -0.646 . . . . 0.0 109.329 168.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.9 mp . . . . . 0 CA--C 1.541 0.632 0 C-N-CA 124.465 1.106 . . . . 0.0 111.003 169.972 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 81.1 t . . . . . 0 N--CA 1.477 0.918 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -142.45 156.8 45.21 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.739 2.416 . . . . 0.0 107.518 169.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 79.0 mt -118.59 67.83 7.64 Favored Pre-proline 0 N--CA 1.476 0.833 0 C-N-CA 124.675 1.19 . . . . 0.0 111.487 -176.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -59.37 -16.63 35.97 Favored 'Trans proline' 0 CA--C 1.556 1.597 0 N-CA-C 118.809 2.58 . . . . 0.0 118.809 -174.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -74.39 -159.46 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 CA-C-N 123.603 2.322 . . . . 0.0 114.4 175.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -53.06 -14.56 0.63 Allowed 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.772 1.629 . . . . 0.0 115.159 172.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -59.51 -17.03 28.5 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.08 1.752 . . . . 0.0 115.198 173.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 34.0 m -119.86 2.57 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 174.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 43.0 p -90.37 1.11 56.92 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.893 0.877 . . . . 0.0 112.988 176.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 70.6 mm-40 -74.36 176.07 7.08 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.184 0.994 . . . . 0.0 112.196 178.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -65.68 -37.49 86.64 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.67 -0.644 . . . . 0.0 112.706 -169.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 46.7 mt -136.67 136.13 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 123.96 0.904 . . . . 0.0 109.973 169.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -124.35 135.12 53.08 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.251 1.021 . . . . 0.0 109.623 169.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -129.33 156.48 43.96 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.096 0.958 . . . . 0.0 112.022 175.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -137.26 80.59 1.82 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.809 1.244 . . . . 0.0 109.668 178.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 29.2 m95 -82.68 79.84 8.96 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.74 0.781 . . . . 0.0 110.263 -178.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -64.52 127.7 32.62 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.31 0.644 . . . . 0.0 111.187 -176.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 76.6 mt -140.44 166.01 25.88 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 126.154 1.782 . . . . 0.0 110.15 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -71.77 167.14 20.56 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.121 0.968 . . . . 0.0 111.935 173.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -105.47 111.51 64.87 Favored Pre-proline 0 CA--C 1.547 0.857 0 C-N-CA 124.257 1.023 . . . . 0.0 111.795 -177.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -72.72 -11.76 26.17 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 123.131 2.554 . . . . 0.0 117.213 -172.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -56.85 115.13 2.4 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 119.414 1.006 . . . . 0.0 112.324 -178.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.0 13.99 80.57 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 123.982 0.801 . . . . 0.0 114.467 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -88.12 -96.49 0.09 Allowed 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 118.237 1.018 . . . . 0.0 110.833 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 64.7 p -161.08 164.19 30.94 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 126.343 1.857 . . . . 0.0 110.069 175.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 67.8 mt -63.35 -36.21 82.95 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 121.579 -0.701 . . . . 0.0 111.637 174.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -59.18 -38.74 80.54 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.788 -0.57 . . . . 0.0 112.12 172.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 68.6 t -71.09 -38.25 70.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 O-C-N 121.105 -0.997 . . . . 0.0 111.695 174.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -60.22 -46.83 88.41 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.701 1.137 . . . . 0.0 111.381 171.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -62.18 -38.79 90.44 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.46 1.104 . . . . 0.0 111.831 177.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 51.8 m -62.52 -38.81 91.39 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.512 1.125 . . . . 0.0 111.897 175.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 41.3 t -73.09 -48.35 44.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 O-C-N 121.441 -0.787 . . . . 0.0 111.155 173.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -51.97 -48.84 64.18 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 126.093 1.757 . . . . 0.0 112.273 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -62.56 -37.38 94.63 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 123.486 0.565 . . . . 0.0 113.422 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -74.71 -46.32 38.4 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.895 -0.767 . . . . 0.0 111.331 176.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 93.7 t -54.16 -42.3 55.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 O-C-N 121.098 -1.001 . . . . 0.0 111.64 173.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -59.17 -56.26 24.45 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.249 1.02 . . . . 0.0 111.528 173.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -63.97 -37.72 88.43 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 118.464 0.574 . . . . 0.0 112.099 -174.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -63.69 -42.37 98.0 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 118.895 0.77 . . . . 0.0 110.252 178.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 7.5 t -63.54 -48.17 88.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-O 117.823 -1.084 . . . . 0.0 113.134 171.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -60.39 -36.26 77.68 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 121.026 1.739 . . . . 0.0 112.366 178.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.34 -23.98 60.3 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 179.083 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 50.4 tp -84.89 -51.02 7.03 Favored 'General case' 0 C--O 1.225 -0.192 0 C-N-CA 125.089 1.356 . . . . 0.0 111.286 178.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.2 pt -61.1 -33.39 55.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 CA-C-N 119.26 0.937 . . . . 0.0 111.388 -176.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.56 -19.79 65.85 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 178.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -98.78 -33.5 10.88 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 174.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.255 2.0 pp -98.68 -1.82 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 N-CA-C 116.016 1.858 . . . . 0.0 116.016 -179.208 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 40.2 m . . . . . 0 C--O 1.256 1.419 0 CA-C-N 119.743 1.156 . . . . 0.0 112.538 174.274 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.0 ttm . . . . . 0 N--CA 1.493 1.68 0 N-CA-C 111.419 0.155 . . . . 0.0 111.419 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -128.53 163.65 24.51 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 126.131 1.772 . . . . 0.0 110.03 169.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -108.93 141.4 41.06 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.223 1.009 . . . . 0.0 111.734 -174.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.7 t -120.71 137.79 53.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 123.993 0.917 . . . . 0.0 110.458 175.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 5.1 tpp -124.87 131.13 53.47 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 124.203 1.001 . . . . 0.0 110.439 176.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -105.79 124.58 49.8 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 125.003 1.321 . . . . 0.0 110.695 -176.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.4 t -104.88 131.42 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 125.86 1.664 . . . . 0.0 110.415 174.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 39.7 t -130.81 169.82 15.21 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.246 1.019 . . . . 0.0 109.326 169.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -62.79 -46.43 88.05 Favored 'General case' 0 N--CA 1.485 1.281 0 O-C-N 120.973 -1.079 . . . . 0.0 113.402 -169.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.317 0.1 OUTLIER -124.41 19.09 8.91 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 174.256 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 47.54 43.48 16.07 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 127.751 2.42 . . . . 0.0 115.45 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.2 p -98.14 -48.32 5.15 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 -169.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 14.5 p -134.28 -67.78 0.57 Allowed 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 -169.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 71.6 mtm180 -56.42 -47.62 78.67 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 124.432 1.093 . . . . 0.0 113.705 -169.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.9 p -69.86 -33.22 71.96 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.231 1.012 . . . . 0.0 112.584 176.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -70.74 -37.9 73.48 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 121.685 -0.634 . . . . 0.0 111.098 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 32.6 mtt -64.62 -37.02 86.14 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.152 0.981 . . . . 0.0 112.194 169.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.68 -44.72 85.36 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.875 -0.515 . . . . 0.0 111.229 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -60.87 -43.29 98.6 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 119.124 -0.465 . . . . 0.0 110.917 169.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.65 -44.97 69.11 Favored Glycine 0 N--CA 1.471 1.007 0 C-N-CA 124.598 1.094 . . . . 0.0 115.026 176.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -79.5 -42.85 24.3 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 118.775 1.287 . . . . 0.0 111.373 178.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.66 -39.77 94.27 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 119.259 0.936 . . . . 0.0 112.583 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -66.36 -23.85 66.41 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-N 119.328 0.967 . . . . 0.0 113.349 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.2 m -90.06 -50.53 5.96 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.73 1.612 . . . . 0.0 112.441 177.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 74.1 mt -84.03 -29.34 26.99 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.756 1.222 . . . . 0.0 112.348 -171.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -98.8 12.74 62.62 Favored Glycine 0 CA--C 1.532 1.094 0 C-N-CA 126.514 2.007 . . . . 0.0 114.303 173.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.74 113.57 1.03 Allowed 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.294 1.038 . . . . 0.0 113.15 -174.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.09 -7.78 76.48 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.207 0.908 . . . . 0.0 114.561 175.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -103.94 -28.58 11.48 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.225 1.41 . . . . 0.0 112.864 169.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -128.2 173.67 12.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 123.636 0.774 . . . . 0.0 112.906 170.424 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.74 141.95 47.74 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.52 1.128 . . . . 0.0 109.148 169.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.6 m -140.11 151.79 21.72 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 -169.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.1 m -141.29 149.33 41.12 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.079 1.351 . . . . 0.0 110.431 -177.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.2 t -116.83 137.9 51.88 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.912 1.685 . . . . 0.0 111.475 173.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 14.0 p -150.7 -177.73 6.16 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.308 1.443 . . . . 0.0 112.498 174.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -152.22 163.84 30.33 Favored Glycine 0 N--CA 1.466 0.649 0 O-C-N 119.897 -1.752 . . . . 0.0 113.266 171.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.467 HD21 ' H ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -64.75 -16.51 63.08 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 121.823 -0.81 . . . . 0.0 112.687 172.253 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -140.4 167.59 21.8 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 127.126 2.17 . . . . 0.0 107.819 168.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.3 m -152.76 138.64 18.04 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 120.968 -1.083 . . . . 0.0 112.198 -177.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.1 t -134.6 -74.29 0.47 Allowed 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 176.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.47 156.41 35.22 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.892 1.277 . . . . 0.0 111.996 171.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.0 t -60.49 132.08 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 169.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -65.9 124.0 86.44 Favored Pre-proline 0 CA--C 1.531 0.216 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 176.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -69.51 -24.94 30.28 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 CA-C-N 120.257 1.127 . . . . 0.0 111.861 -169.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.0 m -70.48 -28.38 64.94 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.35 -0.844 . . . . 0.0 111.943 172.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.54 -45.61 93.24 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 119.839 1.2 . . . . 0.0 111.51 173.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.1 mt -58.62 -45.97 90.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 123.479 0.711 . . . . 0.0 110.228 174.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.9 -38.02 86.78 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 178.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 21.5 mmt -73.55 -27.15 61.18 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 125.054 1.342 . . . . 0.0 112.57 178.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 83.6 mmm -78.02 -31.82 50.73 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.884 0.765 . . . . 0.0 111.281 169.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -67.1 -24.82 65.98 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.115 -0.99 . . . . 0.0 112.98 174.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -60.22 -31.56 70.28 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.714 1.143 . . . . 0.0 112.616 172.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 31.8 m -99.51 10.32 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 125.134 1.374 . . . . 0.0 112.62 177.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.2 20.74 79.28 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 124.845 1.212 . . . . 0.0 114.929 177.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 64.4 mt -105.19 140.08 24.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 125.27 1.428 . . . . 0.0 109.714 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -109.56 125.8 52.91 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.356 0.662 . . . . 0.0 112.169 179.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.1 pt -121.1 13.11 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 125.179 1.391 . . . . 0.0 112.542 169.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.4 m -63.35 -26.8 68.92 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 120.423 -1.423 . . . . 0.0 113.457 -175.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -78.9 0.42 78.38 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 124.917 1.246 . . . . 0.0 114.932 175.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -88.47 166.15 14.41 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.415 1.607 . . . . 0.0 110.78 175.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.7 p -146.5 157.63 43.77 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 128.582 2.753 . . . . 0.0 105.455 -174.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 49.1 m -80.07 129.33 34.41 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 119.48 -0.888 . . . . 0.0 109.709 169.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -137.4 136.92 21.1 Favored Pre-proline 0 CA--C 1.544 0.727 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -178.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -80.5 143.86 15.55 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.837 2.358 . . . . 0.0 113.541 -170.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.6 tt -54.23 -35.53 30.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 126.485 1.914 . . . . 0.0 111.582 176.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -59.25 -24.13 62.93 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.23 1.412 . . . . 0.0 114.296 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.4 -14.48 35.4 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 178.213 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -99.7 174.99 5.97 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.585 1.154 . . . . 0.0 113.692 -170.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -116.38 94.19 4.53 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.18 1.792 . . . . 0.0 112.003 -172.404 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.9 -36.48 49.0 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.546 -0.721 . . . . 0.0 112.516 175.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -57.53 -30.65 65.34 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.313 1.845 . . . . 0.0 114.549 -175.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -85.35 -28.76 25.0 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 178.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -81.6 94.68 6.97 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.504 0.722 . . . . 0.0 109.959 -175.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -48.02 -34.87 10.07 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.014 1.325 . . . . 0.0 112.15 178.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 40.6 t -127.12 138.34 55.13 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 C-N-CA 124.15 0.98 . . . . 0.0 111.134 173.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 76.0 t -122.25 138.39 52.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.848 0.859 . . . . 0.0 109.972 169.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 27.7 mm -126.16 130.74 72.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 C-N-CA 124.282 1.033 . . . . 0.0 109.428 -178.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.4 t -97.65 137.16 36.97 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 118.762 0.71 . . . . 0.0 110.571 169.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.6 mp . . . . . 0 CA--C 1.537 0.477 0 C-N-CA 126.027 1.731 . . . . 0.0 109.611 177.625 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 55.5 t . . . . . 0 N--CA 1.482 1.133 0 CA-C-O 120.337 0.113 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 62.1 m-80 -132.32 1.77 3.82 Favored 'General case' 0 CA--C 1.554 1.101 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 177.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 71.1 mt 42.27 66.95 3.69 Favored Pre-proline 0 CA--C 1.556 1.19 0 C-N-CA 126.347 1.859 . . . . 0.0 114.786 -177.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -50.98 -29.37 27.13 Favored 'Trans proline' 0 CA--C 1.555 1.549 0 C-N-CA 123.322 2.681 . . . . 0.0 118.965 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -75.6 -160.89 0.11 Allowed 'Trans proline' 0 CA--C 1.546 1.092 0 C-N-CA 122.726 2.284 . . . . 0.0 115.143 -176.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -57.72 -9.46 1.23 Allowed 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.618 1.567 . . . . 0.0 115.001 174.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -61.4 -14.95 31.96 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.671 1.588 . . . . 0.0 115.075 172.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.6 m -116.1 0.92 8.32 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 124.535 1.134 . . . . 0.0 113.97 173.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 43.0 p -94.01 4.6 53.67 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.435 1.094 . . . . 0.0 113.378 178.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -75.28 179.14 5.32 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.956 1.302 . . . . 0.0 111.824 177.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -64.56 -37.91 89.2 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 121.444 -0.785 . . . . 0.0 112.622 -170.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 27.0 mt -137.67 137.85 44.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 123.719 0.808 . . . . 0.0 110.457 169.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -128.49 135.45 49.46 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.167 0.987 . . . . 0.0 109.39 168.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -135.78 153.64 51.47 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.083 0.953 . . . . 0.0 111.41 174.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -123.21 116.19 22.98 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.945 0.898 . . . . 0.0 111.576 172.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 41.8 m0 -106.46 83.57 1.89 Allowed 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 126.368 1.867 . . . . 0.0 109.348 -175.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -79.27 74.94 5.84 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.147 0.979 . . . . 0.0 111.467 -174.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 84.9 mt -86.74 161.66 18.28 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.666 1.186 . . . . 0.0 109.625 172.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -69.14 160.79 30.43 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.646 0.736 . . . . 0.0 110.938 173.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -102.54 113.52 65.84 Favored Pre-proline 0 CA--C 1.547 0.864 0 CA-C-O 118.861 -0.59 . . . . 0.0 111.854 -175.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -73.51 -8.13 21.24 Favored 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 123.027 2.485 . . . . 0.0 116.957 -171.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -57.46 112.16 1.33 Allowed 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.292 0.951 . . . . 0.0 112.143 -178.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.44 14.85 80.64 Favored Glycine 0 CA--C 1.538 1.479 0 CA-C-O 119.044 -0.864 . . . . 0.0 114.556 -178.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -88.41 -95.68 0.09 Allowed 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 118.653 1.227 . . . . 0.0 110.803 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 59.4 p -160.16 164.29 33.01 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 126.445 1.898 . . . . 0.0 110.119 174.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 51.8 mt -64.85 -34.3 78.06 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.675 -0.641 . . . . 0.0 111.744 175.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -61.29 -38.6 87.36 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.328 0.651 . . . . 0.0 112.18 171.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 65.4 t -70.04 -39.27 77.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 O-C-N 121.153 -0.967 . . . . 0.0 111.591 173.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -58.48 -48.46 80.69 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.634 1.107 . . . . 0.0 111.43 171.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 63.8 mtp85 -60.18 -39.1 85.3 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.959 1.304 . . . . 0.0 112.035 177.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 62.0 m -64.05 -37.76 88.62 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.714 1.206 . . . . 0.0 112.189 176.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 53.4 t -78.95 -44.0 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 123.808 0.843 . . . . 0.0 111.402 176.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -50.81 -48.96 59.57 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 126.511 1.924 . . . . 0.0 112.404 179.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -63.26 -36.45 93.43 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 123.642 0.639 . . . . 0.0 113.315 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -75.21 -39.2 60.3 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 117.868 0.834 . . . . 0.0 112.159 177.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 94.9 t -58.28 -47.96 86.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 O-C-N 121.407 -0.808 . . . . 0.0 110.531 169.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -57.28 -53.91 52.78 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.581 1.152 . . . . 0.0 111.871 175.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -61.37 -35.38 77.31 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.739 1.154 . . . . 0.0 111.968 -178.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 36.9 mtt180 -70.82 -41.66 71.25 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 116.998 -1.477 . . . . 0.0 112.996 175.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 30.8 m -63.8 -39.74 86.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-N 121.296 1.862 . . . . 0.0 113.1 171.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -62.6 -41.83 99.21 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 120.085 1.311 . . . . 0.0 111.811 175.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -31.76 72.4 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 177.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 54.4 tp -76.13 -48.99 18.57 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.821 0.848 . . . . 0.0 112.15 179.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 10.3 pt -63.17 -29.58 47.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-N 119.501 1.046 . . . . 0.0 112.555 -176.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.45 -20.04 63.77 Favored 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 174.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -86.74 -44.79 11.51 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.804 1.242 . . . . 0.0 112.892 173.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.293 1.4 pp -101.46 -0.3 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 N-CA-C 116.637 2.088 . . . . 0.0 116.637 -169.459 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 63.7 p . . . . . 0 C--O 1.255 1.348 0 CA-C-N 120.101 1.319 . . . . 0.0 113.732 175.111 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.458 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 17.6 ttt . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 119.652 -0.213 . . . . 0.0 111.328 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -130.55 166.2 21.1 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 125.5 1.52 . . . . 0.0 111.612 173.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -104.4 139.52 39.23 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.746 1.218 . . . . 0.0 111.239 -177.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.6 t -125.63 141.66 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 124.476 1.11 . . . . 0.0 110.23 179.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 7.1 tpp -134.61 134.61 41.42 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.878 0.871 . . . . 0.0 110.459 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -110.16 119.59 39.74 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.525 1.13 . . . . 0.0 111.667 -174.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.7 t -96.08 138.18 22.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 126.423 1.889 . . . . 0.0 111.157 173.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.3 t -136.45 173.58 11.55 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.874 1.669 . . . . 0.0 108.481 169.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.83 -45.74 73.8 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.217 -1.552 . . . . 0.0 112.169 -174.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.271 0.2 OUTLIER -125.73 10.54 7.76 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 116.707 2.114 . . . . 0.0 116.707 177.103 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.269 9.2 t-20 46.68 32.39 1.7 Allowed 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 128.861 2.864 . . . . 0.0 115.999 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.3 p -86.04 -40.18 16.05 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.566 1.546 . . . . 0.0 112.681 175.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.2 p -138.6 175.6 9.42 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 126.964 2.106 . . . . 0.0 110.835 -170.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.2 mtm-85 55.46 -78.35 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 126.909 2.084 . . . . 0.0 113.953 -171.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.8 p -48.38 -40.31 25.26 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 126.772 2.029 . . . . 0.0 114.499 179.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -67.46 -38.93 85.19 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.519 0.728 . . . . 0.0 111.742 176.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.3 mtp -72.84 -33.55 66.23 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.747 1.219 . . . . 0.0 111.459 176.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.47 -44.45 96.36 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.907 0.883 . . . . 0.0 111.517 171.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.49 -41.13 93.65 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.476 0.71 . . . . 0.0 111.858 170.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.91 -49.88 73.57 Favored Glycine 0 N--CA 1.471 0.987 0 C-N-CA 124.269 0.937 . . . . 0.0 114.431 173.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -67.64 -44.25 78.4 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.965 1.382 . . . . 0.0 111.661 176.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.69 -39.27 88.02 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.018 0.748 . . . . 0.0 113.018 -176.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.5 pttt -67.82 -26.7 66.19 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 119.974 1.261 . . . . 0.0 113.225 178.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.9 m -84.42 -55.81 3.96 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.294 1.438 . . . . 0.0 112.533 177.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 72.0 mt -81.74 -26.56 34.43 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.314 1.446 . . . . 0.0 112.328 -174.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -99.62 9.3 60.46 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 126.43 1.967 . . . . 0.0 114.553 176.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.92 113.73 0.85 Allowed 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 119.919 1.859 . . . . 0.0 112.651 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.86 -20.81 5.17 Favored Glycine 0 CA--C 1.539 1.592 0 C-N-CA 125.212 1.387 . . . . 0.0 115.087 -177.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.458 ' O ' ' HA ' ' A' ' 1' ' ' MET . 33.4 mtpt -74.94 -37.68 61.94 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.276 1.43 . . . . 0.0 110.374 169.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.5 pp -143.81 172.17 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 125.624 1.57 . . . . 0.0 113.3 177.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -125.51 142.42 51.51 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.457 1.503 . . . . 0.0 108.033 168.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.38 154.19 29.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 N-CA-C 115.601 1.704 . . . . 0.0 115.601 -169.118 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.7 m -146.87 155.22 42.15 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.34 1.856 . . . . 0.0 109.225 176.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 77.6 p -127.47 150.32 49.71 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 120.628 -1.295 . . . . 0.0 111.657 169.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 17.2 p -153.28 -177.35 6.27 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.331 1.452 . . . . 0.0 110.532 -179.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -152.5 167.18 31.39 Favored Glycine 0 C--O 1.223 -0.537 0 O-C-N 120.518 -1.364 . . . . 0.0 112.295 170.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.7 -14.83 60.1 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 118.884 1.342 . . . . 0.0 112.617 173.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -139.54 167.76 21.35 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 127.208 2.203 . . . . 0.0 109.183 169.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.9 p -120.95 152.51 38.43 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.356 1.462 . . . . 0.0 110.555 169.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.3 p -135.03 -84.37 0.41 Allowed 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.217 1.007 . . . . 0.0 111.847 174.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -158.75 146.42 17.87 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 128.253 2.621 . . . . 0.0 109.012 175.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.98 132.9 27.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 CA-C-N 119.639 1.108 . . . . 0.0 109.475 169.76 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -74.41 127.96 86.7 Favored Pre-proline 0 CA--C 1.536 0.414 0 CA-C-O 118.982 -0.533 . . . . 0.0 110.95 -173.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -72.84 -26.39 15.76 Favored 'Trans proline' 0 CA--C 1.538 0.679 0 CA-C-N 120.311 1.147 . . . . 0.0 112.37 -170.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.1 m -76.86 -27.84 55.2 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 121.364 -0.835 . . . . 0.0 111.45 175.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.19 -47.54 81.0 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 120.912 -1.118 . . . . 0.0 111.784 170.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.5 mt -56.89 -47.14 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 123.508 0.723 . . . . 0.0 110.238 175.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.52 -38.39 84.24 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 112.743 0.645 . . . . 0.0 112.743 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 8.7 mmt -77.69 -26.88 50.57 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.321 1.048 . . . . 0.0 112.15 -179.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 84.2 mmm -77.77 -29.74 51.09 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 118.918 0.781 . . . . 0.0 111.484 169.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -68.23 -23.48 64.81 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.033 -1.042 . . . . 0.0 112.888 175.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -61.33 -28.8 69.47 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 119.979 1.263 . . . . 0.0 112.933 173.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.1 p -103.95 10.02 8.94 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 C-N-CA 126.413 1.885 . . . . 0.0 111.647 178.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.14 18.7 79.79 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 124.841 1.21 . . . . 0.0 115.097 174.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 69.7 mt -103.64 132.0 50.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.989 1.316 . . . . 0.0 109.962 -177.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -98.8 124.79 43.9 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.94 0.896 . . . . 0.0 111.522 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.2 pt -125.23 25.13 3.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.135 0.974 . . . . 0.0 111.695 169.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.7 m -77.41 -29.25 52.99 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.563 1.145 . . . . 0.0 112.475 178.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -80.78 11.41 40.86 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 125.475 1.512 . . . . 0.0 115.332 178.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -134.26 153.49 51.83 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.071 1.748 . . . . 0.0 109.829 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.7 t -147.36 -176.33 5.19 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 124.134 0.974 . . . . 0.0 110.452 179.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.0 p -84.35 132.84 34.56 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 -169.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -140.08 147.09 49.2 Favored Pre-proline 0 CA--C 1.55 0.978 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 -177.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -87.49 146.4 7.2 Favored 'Trans proline' 0 CA--C 1.544 0.983 0 C-N-CA 123.634 2.889 . . . . 0.0 114.366 -170.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.9 tt -57.05 -36.1 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 127.536 2.334 . . . . 0.0 112.263 -177.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -69.73 -11.13 60.61 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.803 1.408 . . . . 0.0 114.803 -177.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -92.99 -12.31 31.02 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 170.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -99.64 174.03 6.43 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.13 1.372 . . . . 0.0 113.51 -170.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -124.49 86.27 2.54 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.342 1.457 . . . . 0.0 112.969 -169.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.33 -33.2 41.61 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -178.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -57.02 -27.37 61.56 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.291 1.436 . . . . 0.0 114.155 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -96.15 2.78 53.4 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 177.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -107.91 97.76 7.43 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.055 0.942 . . . . 0.0 108.576 176.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -51.75 -35.44 43.45 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.404 0.681 . . . . 0.0 111.787 178.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 47.4 t -124.49 138.25 54.6 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 C-N-CA 124.522 1.129 . . . . 0.0 110.648 173.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 44.8 t -121.51 137.55 54.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 123.987 0.915 . . . . 0.0 109.827 169.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 27.4 mm -122.23 131.17 73.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 C-N-CA 124.475 1.11 . . . . 0.0 109.643 -178.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.0 m -97.18 139.38 33.24 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.282 0.633 . . . . 0.0 109.842 168.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.4 mp . . . . . 0 N--CA 1.467 0.389 0 C-N-CA 125.56 1.544 . . . . 0.0 109.118 176.813 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 60.2 t . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 119.458 -0.306 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -136.8 -3.29 2.06 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 116.381 1.993 . . . . 0.0 116.381 -175.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.9 mt 44.36 66.62 4.76 Favored Pre-proline 0 CA--C 1.555 1.166 0 C-N-CA 125.951 1.7 . . . . 0.0 114.979 -178.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -50.82 -29.3 25.96 Favored 'Trans proline' 0 CA--C 1.554 1.513 0 C-N-CA 123.496 2.797 . . . . 0.0 119.151 178.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -76.84 -160.33 0.11 Allowed 'Trans proline' 0 CA--C 1.548 1.2 0 C-N-CA 122.662 2.241 . . . . 0.0 114.926 -176.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -54.16 -11.34 0.46 Allowed 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 126.324 1.85 . . . . 0.0 115.3 173.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 88.1 m95 -60.5 -16.69 39.48 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.681 1.592 . . . . 0.0 114.839 173.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 32.9 m -117.31 3.21 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 174.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 43.3 p -94.21 4.03 54.44 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.334 1.054 . . . . 0.0 112.931 177.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 75.5 mm-40 -75.74 177.3 6.98 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.612 1.165 . . . . 0.0 111.817 177.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -65.44 -38.74 90.77 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 121.209 -0.932 . . . . 0.0 112.798 -169.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 41.6 mt -134.34 139.38 48.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 124.196 0.998 . . . . 0.0 110.308 170.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -130.18 131.22 45.51 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.454 1.102 . . . . 0.0 109.513 168.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -133.45 153.49 51.57 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.805 1.242 . . . . 0.0 111.204 176.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -127.4 101.32 6.4 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.146 0.979 . . . . 0.0 111.241 -178.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 35.5 m0 -95.08 86.4 4.59 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.923 1.689 . . . . 0.0 111.036 -174.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -77.01 117.1 18.26 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.624 0.77 . . . . 0.0 110.584 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 65.0 mt -138.59 170.29 16.26 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.748 2.019 . . . . 0.0 111.206 -178.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -62.41 172.25 1.61 Allowed 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 122.968 1.366 . . . . 0.0 113.327 175.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -119.62 92.92 46.89 Favored Pre-proline 0 CA--C 1.542 0.637 0 C-N-CA 125.664 1.586 . . . . 0.0 110.971 -175.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -70.7 -15.13 33.57 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 123.434 2.756 . . . . 0.0 116.371 -170.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -57.32 100.15 0.05 OUTLIER 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.948 1.699 . . . . 0.0 111.738 -177.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 87.16 13.62 65.79 Favored Glycine 0 CA--C 1.54 1.622 0 N-CA-C 115.578 0.991 . . . . 0.0 115.578 -176.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -90.26 -104.38 0.1 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.944 1.297 . . . . 0.0 111.557 179.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 60.6 p -155.05 164.78 38.4 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 126.727 2.011 . . . . 0.0 110.531 179.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 53.8 mt -63.48 -36.92 85.36 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 121.689 -0.632 . . . . 0.0 111.858 176.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -60.18 -39.09 85.22 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.39 0.676 . . . . 0.0 112.096 173.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 73.2 t -71.72 -37.61 63.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 O-C-N 121.258 -0.901 . . . . 0.0 111.538 174.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -60.43 -47.74 84.79 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 119.714 1.143 . . . . 0.0 111.43 171.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -61.78 -37.73 85.43 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.387 1.075 . . . . 0.0 111.932 177.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 52.6 m -63.0 -42.25 99.8 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 124.245 1.018 . . . . 0.0 112.066 176.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 60.1 t -71.58 -46.39 63.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 123.608 0.763 . . . . 0.0 112.068 172.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -53.1 -46.52 68.73 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 126.155 1.782 . . . . 0.0 112.359 -177.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -62.04 -36.68 93.25 Favored Glycine 0 N--CA 1.475 1.272 0 C-N-CA 123.128 0.394 . . . . 0.0 113.19 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -77.58 -43.92 30.16 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 121.9 -0.765 . . . . 0.0 111.517 177.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 57.5 t -56.13 -43.3 75.56 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 CA-C-N 119.39 0.995 . . . . 0.0 111.433 171.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -58.27 -56.71 18.57 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.0 0.92 . . . . 0.0 111.328 174.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -34.21 77.67 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 118.219 -0.896 . . . . 0.0 112.211 -175.51 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -61.86 -43.47 98.78 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 119.351 0.978 . . . . 0.0 110.784 174.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 20.3 t -61.6 -48.52 88.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 CA-C-O 118.399 -0.81 . . . . 0.0 113.07 170.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -60.38 -35.63 76.19 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 120.34 1.427 . . . . 0.0 112.705 178.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.74 -28.87 62.89 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 176.521 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 58.2 tp -76.88 -46.02 26.05 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.909 0.884 . . . . 0.0 112.514 176.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 7.9 pt -63.93 -26.01 39.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 CA-C-N 119.936 1.244 . . . . 0.0 112.659 179.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.8 -27.45 68.89 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 171.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 62.2 mtpt -86.12 -37.19 19.05 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.589 1.556 . . . . 0.0 113.01 -177.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.275 1.8 pp -120.18 6.27 6.43 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 N-CA-C 117.041 2.237 . . . . 0.0 117.041 -170.062 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 42.6 t . . . . . 0 C--O 1.255 1.353 0 CA-C-N 119.922 1.237 . . . . 0.0 111.26 169.517 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.464 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 16.7 ttt . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 119.535 -0.269 . . . . 0.0 111.197 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -130.47 161.62 31.02 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 125.599 1.56 . . . . 0.0 111.88 175.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -102.84 139.42 38.44 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.92 1.288 . . . . 0.0 111.237 -176.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.9 t -123.64 140.96 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.945 1.298 . . . . 0.0 110.187 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.6 tpp -135.0 132.66 38.58 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 123.66 0.784 . . . . 0.0 110.199 178.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -104.03 135.72 45.01 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.289 1.036 . . . . 0.0 111.194 -178.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.3 t -115.5 128.86 72.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 126.613 1.965 . . . . 0.0 109.61 171.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.4 t -128.51 177.57 6.91 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.841 1.257 . . . . 0.0 109.695 169.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.71 -48.09 41.73 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.43 -1.419 . . . . 0.0 112.784 -172.339 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.309 0.2 OUTLIER -120.1 11.86 11.76 Favored 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 115.929 1.825 . . . . 0.0 115.929 175.302 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 53.29 36.89 23.93 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 126.847 2.059 . . . . 0.0 114.683 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.0 p -93.83 -45.23 7.74 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 -172.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.2 p -130.74 -71.9 0.57 Allowed 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 114.536 1.309 . . . . 0.0 114.536 -169.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 96.3 mtm-85 -58.03 -48.06 81.2 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -169.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.0 p -66.37 -34.8 78.77 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.454 0.701 . . . . 0.0 112.315 176.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -71.57 -39.66 70.45 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.096 0.958 . . . . 0.0 111.427 -179.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 54.9 mtp -74.18 -31.93 62.87 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.624 1.569 . . . . 0.0 111.556 175.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.89 -42.53 97.44 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.689 0.796 . . . . 0.0 111.713 172.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -61.56 -39.28 90.54 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 118.859 -0.591 . . . . 0.0 110.832 169.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.78 -49.01 59.92 Favored Glycine 0 N--CA 1.474 1.221 0 C-N-CA 124.685 1.136 . . . . 0.0 114.515 173.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -72.93 -43.45 62.37 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 120.856 -1.379 . . . . 0.0 112.269 175.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.3 -36.82 82.31 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -176.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.6 ptmm? -65.73 -28.01 68.73 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-N 119.773 1.169 . . . . 0.0 113.027 177.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.9 m -89.47 -54.13 4.22 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.281 1.432 . . . . 0.0 112.376 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.7 mt -83.94 -24.67 30.59 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.254 1.421 . . . . 0.0 112.245 -173.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -99.2 5.46 59.17 Favored Glycine 0 CA--C 1.526 0.777 0 C-N-CA 126.237 1.875 . . . . 0.0 114.532 176.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.81 113.07 0.76 Allowed 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 120.009 1.905 . . . . 0.0 112.716 -177.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.66 -21.89 7.09 Favored Glycine 0 CA--C 1.538 1.513 0 C-N-CA 124.898 1.237 . . . . 0.0 114.774 -178.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.464 ' O ' ' HA ' ' A' ' 1' ' ' MET . 30.0 mtpt -75.95 -38.69 57.31 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.945 1.298 . . . . 0.0 110.645 169.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.4 pp -142.75 170.93 10.62 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 125.436 1.494 . . . . 0.0 112.707 -179.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -125.99 146.5 49.85 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.096 1.358 . . . . 0.0 108.507 168.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.81 149.78 25.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 N-CA-C 115.838 1.792 . . . . 0.0 115.838 -169.364 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.9 m -138.95 149.42 44.74 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.739 1.616 . . . . 0.0 109.757 174.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.3 t -118.63 137.38 53.32 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.61 1.564 . . . . 0.0 111.596 174.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 14.3 p -150.28 -177.81 6.15 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.308 1.443 . . . . 0.0 112.231 176.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -151.56 167.95 30.95 Favored Glycine 0 N--CA 1.467 0.766 0 O-C-N 120.403 -1.436 . . . . 0.0 112.436 169.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.99 -17.45 63.32 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 118.487 1.143 . . . . 0.0 112.318 172.137 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -140.07 162.17 35.87 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.963 2.105 . . . . 0.0 108.222 168.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.9 p -144.68 138.59 27.41 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.494 1.118 . . . . 0.0 111.726 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.1 t -133.93 -71.4 0.5 Allowed 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 173.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.36 159.35 38.68 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.904 1.282 . . . . 0.0 112.034 173.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.9 t -65.93 136.79 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 169.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 34.7 t-80 -65.1 122.6 80.58 Favored Pre-proline 0 CA--C 1.531 0.239 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 173.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -69.06 -23.57 33.82 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 CA-C-N 120.711 1.29 . . . . 0.0 112.17 -169.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.5 m -68.97 -25.69 64.66 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.19 -0.943 . . . . 0.0 112.29 172.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.57 -40.47 96.96 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 120.482 -1.386 . . . . 0.0 111.851 173.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -57.12 -46.06 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 173.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.25 -39.54 89.58 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.757 -0.59 . . . . 0.0 112.516 -178.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 7.6 mmt -74.92 -29.35 60.94 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.805 0.842 . . . . 0.0 112.17 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 81.1 mmm -76.22 -32.37 58.9 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 118.881 0.764 . . . . 0.0 111.335 169.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -67.83 -21.15 65.22 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 175.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -62.92 -25.65 68.43 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 120.099 1.318 . . . . 0.0 112.007 169.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.8 t -89.4 -5.8 10.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 126.11 1.764 . . . . 0.0 111.574 174.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.9 17.44 76.94 Favored Glycine 0 CA--C 1.542 1.73 0 O-C-N 120.988 -1.07 . . . . 0.0 113.41 -169.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.5 mt -95.71 126.95 48.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 124.888 1.275 . . . . 0.0 109.545 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -96.89 124.29 40.83 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.148 0.579 . . . . 0.0 112.006 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 9.5 pt -123.11 9.52 5.32 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 C-N-CA 125.25 1.42 . . . . 0.0 112.832 169.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 93.7 p -66.18 -19.26 65.78 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 120.461 -1.4 . . . . 0.0 114.431 -172.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.73 -1.07 76.56 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 124.828 1.204 . . . . 0.0 115.189 172.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -80.08 154.19 28.26 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.609 1.705 . . . . 0.0 111.87 178.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 23.9 p -145.32 142.94 29.87 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 128.232 2.613 . . . . 0.0 105.697 169.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 38.4 m -79.44 147.42 32.31 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 121.291 -0.881 . . . . 0.0 113.127 -169.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -145.83 150.47 42.96 Favored Pre-proline 0 N--CA 1.479 0.977 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -175.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -91.66 148.63 3.39 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 123.406 2.737 . . . . 0.0 113.42 -170.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.1 tt -54.2 -35.31 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 126.676 1.99 . . . . 0.0 111.975 177.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -60.34 -24.5 65.09 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.079 1.352 . . . . 0.0 114.129 -178.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -91.2 -12.77 34.34 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 178.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -96.74 169.55 9.79 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.809 1.244 . . . . 0.0 114.048 -169.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -118.47 86.34 2.52 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.205 1.402 . . . . 0.0 112.703 -169.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.27 -34.24 22.63 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -178.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -60.64 -23.73 64.99 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.165 1.386 . . . . 0.0 114.471 -176.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -99.15 3.24 46.47 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.937 0.895 . . . . 0.0 113.189 178.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -106.09 99.28 8.88 Favored 'General case' 0 N--CA 1.464 0.233 0 O-C-N 121.221 -0.924 . . . . 0.0 108.582 176.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -53.03 -35.63 59.67 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.233 0.613 . . . . 0.0 111.694 177.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 43.3 t -125.33 138.26 54.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 C-N-CA 124.345 1.058 . . . . 0.0 110.979 175.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 52.1 t -121.67 139.69 47.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.298 1.039 . . . . 0.0 110.301 170.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 23.9 mm -126.93 130.35 71.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 C-N-CA 124.383 1.073 . . . . 0.0 110.582 -174.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 37.8 t -100.45 136.99 39.47 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.714 0.806 . . . . 0.0 112.294 169.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 N--CA 1.472 0.643 0 C-N-CA 126.098 1.759 . . . . 0.0 109.607 177.393 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 97.0 t . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -130.28 -5.73 4.31 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 115.264 1.579 . . . . 0.0 115.264 -174.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 61.5 mt 43.06 66.15 4.74 Favored Pre-proline 0 N--CA 1.482 1.162 0 C-N-CA 126.217 1.807 . . . . 0.0 114.983 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -50.66 -28.75 23.34 Favored 'Trans proline' 0 CA--C 1.556 1.577 0 C-N-CA 123.634 2.889 . . . . 0.0 119.245 178.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -76.61 -160.22 0.11 Allowed 'Trans proline' 0 CA--C 1.548 1.201 0 C-N-CA 122.72 2.28 . . . . 0.0 114.627 -176.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -58.35 -9.55 1.61 Allowed 'General case' 0 N--CA 1.478 0.963 0 O-C-N 120.253 -1.529 . . . . 0.0 114.857 175.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -58.72 -16.4 16.39 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.993 1.717 . . . . 0.0 114.878 172.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.9 m -117.95 2.58 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 124.425 1.09 . . . . 0.0 113.934 173.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 35.5 p -95.34 3.55 54.31 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.397 1.079 . . . . 0.0 113.193 177.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 75.5 mm-40 -73.94 177.76 5.39 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.53 1.132 . . . . 0.0 111.863 175.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -64.21 -38.75 92.18 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.39 -0.819 . . . . 0.0 112.719 -170.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 20.2 mt -137.2 136.57 47.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 123.729 0.811 . . . . 0.0 110.475 171.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -123.38 131.15 53.56 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.111 0.964 . . . . 0.0 108.489 168.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -128.47 153.0 47.6 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.72 0.808 . . . . 0.0 111.266 174.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -130.58 122.53 27.69 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.332 0.653 . . . . 0.0 110.739 169.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 12.8 m95 -119.68 102.95 8.97 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.123 0.969 . . . . 0.0 108.99 -178.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 -91.21 115.09 27.75 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.495 0.718 . . . . 0.0 109.922 -170.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 81.7 mt -126.8 173.37 9.6 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.94 1.696 . . . . 0.0 112.241 -172.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 23.8 mp0 -64.87 166.69 8.7 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.051 1.74 . . . . 0.0 111.654 175.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -117.45 98.79 52.17 Favored Pre-proline 0 CA--C 1.543 0.684 0 C-N-CA 124.837 1.255 . . . . 0.0 111.23 -178.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -72.85 -14.27 26.7 Favored 'Trans proline' 0 C--N 1.356 0.967 0 C-N-CA 123.508 2.805 . . . . 0.0 116.247 -171.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -57.72 106.45 0.35 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.868 1.267 . . . . 0.0 111.807 -176.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 81.9 14.88 76.53 Favored Glycine 0 CA--C 1.54 1.595 0 C-N-CA 124.361 0.981 . . . . 0.0 114.95 -177.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -92.03 -101.75 0.12 Allowed 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.661 1.184 . . . . 0.0 111.354 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 66.8 p -157.68 164.52 37.08 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 126.264 1.825 . . . . 0.0 110.303 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 77.3 mt -62.72 -37.39 86.36 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.615 -0.678 . . . . 0.0 111.937 176.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -58.55 -38.06 77.02 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 121.621 -0.674 . . . . 0.0 112.512 172.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 77.8 t -73.19 -36.01 48.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 O-C-N 121.119 -0.988 . . . . 0.0 112.08 174.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -61.4 -46.03 91.84 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.574 1.079 . . . . 0.0 111.302 170.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 -62.37 -37.73 86.86 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.469 1.108 . . . . 0.0 111.869 176.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 53.3 m -61.84 -43.05 99.63 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.289 1.036 . . . . 0.0 111.922 174.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.14 -45.97 74.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 O-C-N 121.122 -0.986 . . . . 0.0 111.629 173.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 57.5 ttp180 -50.98 -49.08 60.96 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.746 1.618 . . . . 0.0 112.083 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -61.49 -37.33 93.96 Favored Glycine 0 CA--C 1.532 1.153 0 C-N-CA 123.652 0.644 . . . . 0.0 113.076 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -75.51 -48.54 22.11 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 117.724 0.762 . . . . 0.0 111.342 177.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 79.7 t -53.61 -42.84 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 O-C-N 120.876 -1.14 . . . . 0.0 111.122 174.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -57.54 -55.69 31.62 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.156 0.982 . . . . 0.0 111.489 172.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -65.74 -35.28 80.28 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -174.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -64.77 -43.66 92.54 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.51 1.05 . . . . 0.0 110.85 175.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 13.8 t -61.41 -48.99 86.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 CA-C-O 117.814 -1.089 . . . . 0.0 113.1 171.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -59.75 -35.91 75.54 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 120.835 1.652 . . . . 0.0 112.458 179.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.34 -25.46 60.62 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 178.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 43.2 tp -83.37 -47.45 11.43 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.026 1.33 . . . . 0.0 111.893 178.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 7.9 pt -64.07 -28.82 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 CA-C-N 119.23 0.923 . . . . 0.0 112.652 -176.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.94 -20.15 64.2 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 175.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -85.22 -36.94 20.65 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.561 1.145 . . . . 0.0 113.024 174.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.2 pt -108.4 1.71 9.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 N-CA-C 116.286 1.958 . . . . 0.0 116.286 -169.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 54.0 p . . . . . 0 C--O 1.256 1.42 0 C-N-CA 124.339 1.056 . . . . 0.0 113.413 173.596 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.437 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 55.2 ttm . . . . . 0 N--CA 1.488 1.448 0 N-CA-C 111.57 0.211 . . . . 0.0 111.57 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -130.02 164.14 24.96 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 126.359 1.864 . . . . 0.0 110.62 169.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -107.78 141.01 39.99 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.693 1.197 . . . . 0.0 111.636 -174.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.6 t -121.9 139.68 48.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 124.275 1.03 . . . . 0.0 109.964 178.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.8 tpp -132.27 133.85 44.58 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 123.999 0.92 . . . . 0.0 110.307 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -108.24 135.13 50.07 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.521 1.128 . . . . 0.0 111.493 -176.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.4 t -115.42 120.68 65.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 126.812 2.045 . . . . 0.0 110.01 174.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 51.1 t -118.85 171.82 7.96 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.94 1.296 . . . . 0.0 110.516 169.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.3 ttpt -67.58 -45.92 74.16 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.499 -1.376 . . . . 0.0 113.424 -171.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.301 0.2 OUTLIER -123.4 14.4 9.59 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 115.432 1.642 . . . . 0.0 115.432 174.147 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.263 6.3 t-20 47.38 34.44 3.28 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 128.531 2.732 . . . . 0.0 116.171 -177.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.2 p -95.31 -42.55 8.47 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 125.453 1.501 . . . . 0.0 112.767 177.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.0 p -121.09 174.59 6.56 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.157 1.783 . . . . 0.0 111.964 -173.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 93.2 mtm-85 55.84 -75.82 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 127.456 2.302 . . . . 0.0 114.742 176.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.8 p -44.77 -43.3 8.47 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 126.718 2.007 . . . . 0.0 113.776 174.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -70.68 -34.47 72.03 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.868 0.867 . . . . 0.0 112.233 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 38.9 mtt -70.99 -34.96 71.89 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.239 1.016 . . . . 0.0 111.899 169.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.37 -42.14 98.84 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.358 0.663 . . . . 0.0 110.962 178.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -62.05 -40.38 95.57 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 118.91 -0.567 . . . . 0.0 110.991 169.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.16 -49.58 66.94 Favored Glycine 0 N--CA 1.473 1.14 0 C-N-CA 124.798 1.189 . . . . 0.0 114.838 174.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -70.74 -42.95 69.82 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 120.939 -1.33 . . . . 0.0 111.65 176.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.36 -39.51 85.7 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -178.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.3 ptmm? -64.71 -27.41 68.89 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-N 120.0 1.273 . . . . 0.0 113.17 177.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.3 m -87.08 -54.4 4.34 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.247 1.419 . . . . 0.0 112.66 178.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 69.0 mt -84.71 -22.97 29.55 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.226 1.41 . . . . 0.0 112.507 -171.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -102.02 9.19 56.38 Favored Glycine 0 CA--C 1.529 0.961 0 C-N-CA 126.28 1.895 . . . . 0.0 114.469 174.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.76 110.63 0.49 Allowed 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 119.554 1.677 . . . . 0.0 112.553 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.38 -13.5 60.0 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 124.341 0.972 . . . . 0.0 114.062 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 1' ' ' MET . 28.0 mtpt -85.99 -42.15 14.26 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.473 1.509 . . . . 0.0 110.934 169.455 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.3 pp -139.5 174.45 9.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.624 1.17 . . . . 0.0 113.128 -172.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -132.3 143.67 50.05 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.895 1.278 . . . . 0.0 108.679 168.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.22 148.58 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 -169.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.5 m -137.0 146.28 45.13 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.317 1.447 . . . . 0.0 110.112 175.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.7 t -116.09 136.77 52.72 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.629 1.572 . . . . 0.0 111.619 174.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 13.5 p -151.0 -177.51 6.06 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.685 1.594 . . . . 0.0 112.092 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -153.98 169.9 32.55 Favored Glycine 0 C--O 1.222 -0.613 0 O-C-N 120.174 -1.579 . . . . 0.0 112.331 171.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.416 HD22 ' H ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -63.84 -14.73 55.49 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 119.023 1.412 . . . . 0.0 112.975 174.753 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -154.44 165.6 35.91 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 127.419 2.288 . . . . 0.0 109.148 168.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.0 p -116.04 158.54 22.97 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.436 1.494 . . . . 0.0 112.569 -177.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.1 t -142.12 -82.08 0.21 Allowed 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.896 1.279 . . . . 0.0 110.688 170.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.72 158.93 18.21 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 127.959 2.504 . . . . 0.0 109.184 172.582 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.7 t -61.19 136.39 24.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 CA-C-N 120.483 1.492 . . . . 0.0 108.675 169.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -65.14 123.9 85.34 Favored Pre-proline 0 N--CA 1.466 0.348 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 175.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -69.95 -23.57 29.77 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 CA-C-N 120.271 1.133 . . . . 0.0 112.342 -168.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 47.7 m -70.69 -24.78 62.73 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.139 -0.975 . . . . 0.0 111.814 173.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.47 -39.85 95.55 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 120.716 -1.24 . . . . 0.0 111.808 174.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -55.79 -47.56 79.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 173.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.7 -42.86 97.93 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 120.841 0.353 . . . . 0.0 111.834 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 24.5 mmt -69.85 -24.4 63.43 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.423 1.089 . . . . 0.0 113.168 -179.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 81.9 mmm -81.1 -34.0 32.91 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.585 0.754 . . . . 0.0 111.6 169.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -67.8 -26.84 66.29 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.035 -1.041 . . . . 0.0 112.929 175.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -57.65 -30.18 65.2 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 119.473 1.033 . . . . 0.0 112.949 171.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . 0.255 6.2 p -107.22 13.56 8.3 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.881 0 C-N-CA 126.82 2.048 . . . . 0.0 111.259 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.5 20.86 79.45 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 125.391 1.472 . . . . 0.0 115.246 171.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 71.9 mt -110.78 140.69 28.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 125.573 1.549 . . . . 0.0 110.168 -177.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -107.24 123.91 48.98 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.632 0.773 . . . . 0.0 112.384 178.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.1 pt -120.94 10.15 6.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 125.142 1.377 . . . . 0.0 112.789 169.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.7 t -65.38 -26.56 68.06 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 120.617 -1.302 . . . . 0.0 112.869 -174.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -74.53 -1.04 60.28 Favored Glycine 0 CA--C 1.539 1.577 0 CA-C-O 118.613 -1.104 . . . . 0.0 115.311 172.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -89.92 155.46 19.11 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 119.643 1.721 . . . . 0.0 111.329 177.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 24.6 p -134.53 164.1 28.22 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 127.645 2.378 . . . . 0.0 108.231 176.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.5 p -93.23 140.33 29.65 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 176.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -143.4 147.49 40.22 Favored Pre-proline 0 CA--C 1.552 1.034 0 C-N-CA 124.48 1.112 . . . . 0.0 113.964 -176.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -84.96 147.59 10.53 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 124.005 3.137 . . . . 0.0 113.891 -174.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.9 tt -57.01 -35.22 46.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 127.422 2.289 . . . . 0.0 112.082 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -63.1 -22.47 66.88 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -177.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.24 -13.57 43.44 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 176.359 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -98.72 170.13 9.0 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.114 1.366 . . . . 0.0 113.629 -169.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -119.86 85.66 2.42 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.193 1.397 . . . . 0.0 112.96 -169.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.27 -35.72 18.65 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -58.99 -25.49 63.68 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.275 1.43 . . . . 0.0 114.101 -176.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -86.63 -30.44 21.77 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 176.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -79.97 99.51 7.66 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.525 -0.734 . . . . 0.0 109.396 -173.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -51.9 -33.04 35.17 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.776 0.83 . . . . 0.0 111.695 178.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 42.6 t -128.0 136.46 60.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 C-N-CA 124.333 1.053 . . . . 0.0 111.015 174.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.1 t -120.92 138.66 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.2 1.0 . . . . 0.0 110.119 170.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 27.1 mm -125.79 131.5 71.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 124.801 1.241 . . . . 0.0 108.922 -178.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 76.9 p -104.95 145.68 30.08 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.976 0.807 . . . . 0.0 110.707 169.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 mp . . . . . 0 N--CA 1.472 0.667 0 C-N-CA 125.554 1.542 . . . . 0.0 109.783 -172.368 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 90.6 t . . . . . 0 N--CA 1.471 0.587 0 CA-C-O 122.099 0.952 . . . . 0.0 113.454 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -146.57 154.5 41.58 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.235 1.814 . . . . 0.0 108.067 168.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 73.0 mt -116.89 67.58 4.13 Favored Pre-proline 0 CA--C 1.55 0.968 0 C-N-CA 124.092 0.957 . . . . 0.0 111.044 -177.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -59.77 -16.05 35.37 Favored 'Trans proline' 0 CA--C 1.556 1.608 0 N-CA-C 118.652 2.52 . . . . 0.0 118.652 -174.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -74.03 -160.39 0.1 OUTLIER 'Trans proline' 0 CA--C 1.548 1.178 0 CA-C-N 123.443 2.265 . . . . 0.0 114.016 175.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -59.22 -9.58 2.27 Favored 'General case' 0 CA--C 1.549 0.932 0 O-C-N 120.193 -1.567 . . . . 0.0 114.689 175.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 92.5 m95 -58.35 -18.19 25.72 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.638 1.575 . . . . 0.0 114.958 172.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 35.2 m -115.78 1.25 8.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 124.453 1.101 . . . . 0.0 113.804 174.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 41.8 p -94.11 2.9 55.93 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.17 0.988 . . . . 0.0 113.111 178.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -73.62 176.25 6.37 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.82 1.248 . . . . 0.0 111.918 177.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -65.19 -37.31 86.93 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 121.317 -0.864 . . . . 0.0 112.642 -169.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 32.0 mt -135.85 137.25 49.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 123.901 0.881 . . . . 0.0 110.076 169.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -126.83 135.8 51.5 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.557 1.143 . . . . 0.0 109.93 169.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -136.78 153.38 50.84 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.375 1.07 . . . . 0.0 112.025 176.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -124.89 98.9 5.9 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.757 1.223 . . . . 0.0 110.191 178.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 39.4 m0 -90.77 80.02 5.93 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 125.537 1.535 . . . . 0.0 110.563 -177.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -71.73 116.29 11.93 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.659 178.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 92.7 mt -137.82 167.84 20.92 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.658 1.983 . . . . 0.0 109.762 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -74.7 178.98 5.04 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 122.026 0.917 . . . . 0.0 112.913 178.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -118.63 99.03 51.45 Favored Pre-proline 0 CA--C 1.544 0.716 0 C-N-CA 124.216 1.006 . . . . 0.0 112.495 -169.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -70.01 -11.91 31.42 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 124.145 3.23 . . . . 0.0 116.661 -173.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -55.32 108.25 0.4 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.822 1.249 . . . . 0.0 111.635 -179.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 77.84 14.58 82.21 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 124.321 0.962 . . . . 0.0 114.937 -178.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -90.35 -96.89 0.11 Allowed 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 118.796 1.298 . . . . 0.0 111.597 -179.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 60.0 p -158.22 162.93 37.89 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 126.475 1.91 . . . . 0.0 110.183 176.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 54.2 mt -65.1 -33.8 76.89 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.653 -0.654 . . . . 0.0 112.039 177.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -61.83 -39.11 90.67 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.096 0.558 . . . . 0.0 112.28 171.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 64.4 t -69.76 -37.69 74.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 O-C-N 120.74 -1.225 . . . . 0.0 111.335 174.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -58.9 -50.45 73.96 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.021 0.828 . . . . 0.0 111.431 170.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 23.3 mtp85 -55.08 -42.14 72.44 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.155 1.382 . . . . 0.0 112.37 174.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 89.1 m -63.16 -38.26 90.46 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.65 1.18 . . . . 0.0 112.292 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 58.0 t -77.73 -46.05 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 O-C-N 121.536 -0.728 . . . . 0.0 111.505 174.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 48.2 ttp180 -52.23 -47.89 65.45 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 126.577 1.951 . . . . 0.0 112.328 -178.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -61.53 -34.79 89.7 Favored Glycine 0 N--CA 1.476 1.341 0 C-N-CA 123.677 0.656 . . . . 0.0 113.383 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -77.34 -43.74 31.93 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.662 -0.905 . . . . 0.0 111.675 177.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 59.9 t -56.19 -43.95 77.79 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 O-C-N 121.2 -0.938 . . . . 0.0 111.289 170.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 38.8 tttm -56.81 -55.02 39.68 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.51 1.124 . . . . 0.0 111.732 173.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -65.94 -35.1 79.68 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 118.601 -0.714 . . . . 0.0 112.554 -174.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 28.9 mmm180 -63.76 -43.06 97.55 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.397 0.999 . . . . 0.0 111.083 173.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 19.1 t -59.81 -51.28 74.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 CA-C-N 119.567 1.076 . . . . 0.0 113.342 171.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -59.18 -35.64 73.93 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 120.613 1.551 . . . . 0.0 112.658 179.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.27 -29.89 63.05 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 177.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 48.0 tp -76.58 -50.45 13.85 Favored 'General case' 0 CA--C 1.524 -0.056 0 C-N-CA 124.048 0.939 . . . . 0.0 111.555 178.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 6.5 pt -61.79 -33.17 56.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 CA-C-N 119.366 0.985 . . . . 0.0 111.819 -174.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.47 -21.21 66.61 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 175.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -85.33 -41.05 15.85 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.656 1.183 . . . . 0.0 112.887 174.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.253 1.9 pp -106.05 -0.66 9.99 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 -169.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 39.8 m . . . . . 0 C--O 1.254 1.294 0 C-N-CA 124.23 1.012 . . . . 0.0 112.386 174.382 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.45 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 56.7 ttm . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 119.694 -0.193 . . . . 0.0 111.472 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -128.82 166.43 19.07 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 125.99 1.716 . . . . 0.0 110.829 169.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.411 ' HB2' ' HE2' ' A' ' 3' ' ' LYS . 1.4 mppt? -107.41 141.46 38.77 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.75 1.22 . . . . 0.0 111.91 -175.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.8 t -123.05 140.69 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 124.536 1.134 . . . . 0.0 109.823 176.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.3 tpp -132.01 133.38 44.38 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.907 0.883 . . . . 0.0 109.987 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -106.98 131.67 53.79 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.839 0.856 . . . . 0.0 111.248 -177.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.3 t -109.23 132.3 57.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 126.639 1.976 . . . . 0.0 109.961 171.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 46.9 t -130.73 171.84 12.66 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.322 1.449 . . . . 0.0 108.835 169.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -63.74 -50.89 67.33 Favored 'General case' 0 N--CA 1.484 1.261 0 O-C-N 120.677 -1.264 . . . . 0.0 112.714 -169.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.302 0.0 OUTLIER -121.77 15.75 10.99 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 115.943 1.831 . . . . 0.0 115.943 173.927 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 53.55 23.7 3.67 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 128.739 2.816 . . . . 0.0 116.482 -176.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.3 p -82.31 -31.02 30.16 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.419 1.087 . . . . 0.0 113.605 -176.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.5 t -149.46 -177.31 5.79 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.577 1.551 . . . . 0.0 110.955 -174.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.7 mtm-85 57.13 -77.11 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 127.682 2.393 . . . . 0.0 114.235 -175.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 54.1 p -44.25 -43.2 7.13 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 126.52 1.928 . . . . 0.0 113.684 174.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -68.88 -37.54 79.1 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.451 1.1 . . . . 0.0 112.254 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.1 mtt -68.73 -35.06 76.65 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.071 0.949 . . . . 0.0 111.569 170.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.62 -42.72 95.31 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.383 0.673 . . . . 0.0 110.72 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -62.24 -43.39 98.93 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 118.908 -0.568 . . . . 0.0 110.957 169.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.16 -48.5 63.27 Favored Glycine 0 N--CA 1.475 1.239 0 C-N-CA 124.455 1.026 . . . . 0.0 114.74 175.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -71.15 -45.72 62.96 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 121.15 -1.206 . . . . 0.0 111.71 175.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.54 -40.24 95.23 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 -177.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -67.44 -25.06 65.72 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 119.414 1.006 . . . . 0.0 113.273 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.2 m -87.43 -55.18 3.91 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.452 1.501 . . . . 0.0 112.558 176.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 76.4 mt -80.94 -30.74 35.19 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.211 1.404 . . . . 0.0 112.151 -172.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -97.46 11.62 65.04 Favored Glycine 0 CA--C 1.527 0.795 0 C-N-CA 126.258 1.885 . . . . 0.0 114.512 175.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.95 112.3 0.76 Allowed 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 119.511 1.656 . . . . 0.0 112.44 178.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.9 -13.89 58.07 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 124.444 1.021 . . . . 0.0 114.356 -178.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 1' ' ' MET . 22.2 mtpp -86.22 -41.11 14.91 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.345 1.458 . . . . 0.0 110.74 169.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.3 pp -139.68 174.28 9.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 124.839 1.256 . . . . 0.0 113.513 -174.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -131.05 141.87 50.24 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.3 1.44 . . . . 0.0 108.453 168.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -138.67 151.21 23.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 N-CA-C 114.828 1.418 . . . . 0.0 114.828 -169.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.0 m -140.6 147.07 38.82 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.564 1.545 . . . . 0.0 109.752 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.7 t -117.12 139.26 50.95 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.338 1.455 . . . . 0.0 111.962 174.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 15.0 p -153.26 -178.51 7.01 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.239 1.415 . . . . 0.0 112.662 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -152.98 161.55 29.65 Favored Glycine 0 C--O 1.223 -0.591 0 O-C-N 120.143 -1.598 . . . . 0.0 112.937 170.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.476 HD22 ' H ' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -67.13 -16.12 64.13 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 117.917 0.859 . . . . 0.0 113.226 178.03 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -133.82 165.48 24.87 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 127.104 2.162 . . . . 0.0 108.12 168.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.0 t -127.71 143.46 51.14 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.615 0.766 . . . . 0.0 112.111 178.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 81.8 p -136.52 -99.47 0.21 Allowed 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.299 1.44 . . . . 0.0 111.457 176.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -155.27 155.12 33.23 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 127.859 2.463 . . . . 0.0 110.064 171.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -59.37 135.99 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 118.528 0.604 . . . . 0.0 111.377 170.319 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -72.25 127.22 90.59 Favored Pre-proline 0 CA--C 1.531 0.232 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 175.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.24 -26.21 25.55 Favored 'Trans proline' 0 CA--C 1.537 0.653 0 CA-C-N 120.503 1.215 . . . . 0.0 112.733 -169.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 20.4 m -68.29 -25.37 65.11 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.46 -0.775 . . . . 0.0 111.911 174.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.49 -45.18 92.42 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 120.817 -1.177 . . . . 0.0 111.882 175.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.4 mt -61.77 -43.79 97.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 123.942 0.897 . . . . 0.0 110.425 176.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.27 -38.56 87.18 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.314 0.578 . . . . 0.0 112.286 177.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 21.6 mmt -74.97 -29.82 61.02 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.927 1.291 . . . . 0.0 112.525 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 83.0 mmm -77.56 -29.94 52.44 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.063 0.847 . . . . 0.0 111.747 169.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -69.6 -22.91 63.47 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.997 -1.064 . . . . 0.0 112.867 175.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -60.17 -29.55 68.76 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 119.714 1.143 . . . . 0.0 112.549 170.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.0 m -103.65 10.48 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 125.478 1.511 . . . . 0.0 112.755 176.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.41 20.59 79.43 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 125.018 1.294 . . . . 0.0 115.266 176.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.4 mt -104.8 133.91 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 125.031 1.332 . . . . 0.0 110.034 -178.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -101.11 125.59 47.74 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.557 0.743 . . . . 0.0 112.373 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 33.8 pt -123.44 12.18 5.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.958 1.303 . . . . 0.0 113.002 169.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.5 t -66.81 -25.17 66.32 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 120.599 -1.313 . . . . 0.0 113.29 -175.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.86 0.32 45.85 Favored Glycine 0 CA--C 1.542 1.754 0 C-N-CA 124.755 1.169 . . . . 0.0 115.204 171.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -110.43 151.56 27.35 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.686 1.594 . . . . 0.0 110.876 177.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.3 t -149.84 -178.6 6.56 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 125.757 1.623 . . . . 0.0 106.687 168.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.2 m -67.37 137.25 55.83 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 -176.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -140.36 145.04 39.45 Favored Pre-proline 0 CA--C 1.551 1.017 0 C-N-CA 125.402 1.481 . . . . 0.0 112.958 171.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -85.75 144.53 8.73 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 123.374 2.716 . . . . 0.0 114.245 -171.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.5 tt -53.87 -35.34 27.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 127.408 2.283 . . . . 0.0 111.82 176.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -62.86 -23.69 67.43 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 -177.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.94 -12.81 43.52 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 176.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -99.89 171.47 7.84 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.179 1.392 . . . . 0.0 113.172 -170.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -123.43 82.46 2.01 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.233 1.413 . . . . 0.0 113.165 -169.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.73 -27.99 44.88 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 -178.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -58.2 -32.29 68.13 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.232 1.413 . . . . 0.0 113.984 177.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -91.21 -29.38 17.25 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -178.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -71.26 109.52 5.34 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 177.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -56.77 -30.99 64.17 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 122.961 0.504 . . . . 0.0 111.592 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 46.6 t -130.93 138.52 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 C-N-CA 124.88 1.272 . . . . 0.0 110.709 177.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 41.2 t -124.92 137.56 57.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 123.959 0.904 . . . . 0.0 109.954 171.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 27.3 mm -122.8 134.71 65.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 C-N-CA 124.422 1.089 . . . . 0.0 109.735 -177.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.5 t -101.92 137.65 39.93 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.719 0.808 . . . . 0.0 111.386 169.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.5 mp -137.36 47.06 2.11 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 126.041 1.737 . . . . 0.0 109.228 -177.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 77.4 m -94.99 -19.25 20.36 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 116.12 1.896 . . . . 0.0 116.12 -169.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.32 50.72 6.51 Favored Glycine 0 CA--C 1.536 1.365 0 CA-C-N 119.017 0.826 . . . . 0.0 112.434 -173.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 64.3 m 60.11 -177.9 0.1 Allowed 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.892 2.077 . . . . 0.0 113.583 -172.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 78.48 5.13 87.86 Favored Glycine 0 CA--C 1.538 1.477 0 O-C-N 121.131 -0.981 . . . . 0.0 115.248 -177.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 58.7 t -141.26 132.15 27.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 125.523 1.529 . . . . 0.0 110.643 -171.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -130.61 -5.32 4.15 Favored 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 -178.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 37.7 mt 42.89 64.79 5.95 Favored Pre-proline 0 N--CA 1.485 1.285 0 C-N-CA 126.366 1.866 . . . . 0.0 114.845 -177.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -50.91 -28.2 23.11 Favored 'Trans proline' 0 CA--C 1.553 1.451 0 C-N-CA 123.449 2.766 . . . . 0.0 119.123 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -76.47 -156.46 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.231 0 C-N-CA 122.476 2.117 . . . . 0.0 115.185 -176.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -52.87 -14.2 0.53 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.337 1.455 . . . . 0.0 114.452 169.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 93.5 m95 -66.24 6.23 0.44 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.657 1.983 . . . . 0.0 116.043 175.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 27.0 m -134.85 9.75 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 125.107 1.363 . . . . 0.0 113.06 169.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 44.8 p -100.51 11.57 39.18 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.756 1.223 . . . . 0.0 112.991 -178.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -59.75 175.38 0.37 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 128.265 2.626 . . . . 0.0 114.198 177.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -68.4 -38.73 81.56 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.453 169.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 28.5 mt -137.23 138.45 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.689 1.196 . . . . 0.0 110.416 170.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -128.74 135.31 49.03 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.452 1.101 . . . . 0.0 108.57 168.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -135.35 156.12 49.46 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.552 1.141 . . . . 0.0 111.153 176.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -128.55 114.35 16.62 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.687 0.795 . . . . 0.0 112.031 174.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 33.7 m0 -103.68 91.32 3.96 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.781 1.633 . . . . 0.0 109.603 -174.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -86.07 81.33 8.51 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.903 0.881 . . . . 0.0 110.381 -173.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 51.0 mt -94.61 175.62 6.6 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.423 1.489 . . . . 0.0 111.301 -177.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 27.2 mp0 -63.96 168.97 4.65 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.073 1.349 . . . . 0.0 111.587 172.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -121.23 93.93 48.79 Favored Pre-proline 0 CA--C 1.544 0.746 0 C-N-CA 124.967 1.307 . . . . 0.0 111.09 -173.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -71.72 -17.5 29.4 Favored 'Trans proline' 0 C--N 1.358 1.042 0 C-N-CA 123.78 2.986 . . . . 0.0 117.327 -169.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -60.7 106.11 0.53 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 123.991 0.917 . . . . 0.0 111.477 -175.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 87.2 12.32 68.01 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 124.192 0.901 . . . . 0.0 114.489 -177.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -91.56 -113.1 0.09 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.155 1.382 . . . . 0.0 110.558 177.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 40.3 m -152.76 159.56 43.11 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.727 2.011 . . . . 0.0 109.569 -177.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.0 mp -68.25 -25.67 65.29 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 120.983 -1.073 . . . . 0.0 112.285 -175.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -64.28 -33.9 76.9 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 120.976 -1.078 . . . . 0.0 112.069 169.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 99.3 t -74.33 -38.08 46.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 O-C-N 121.224 -0.922 . . . . 0.0 110.577 174.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -60.25 -46.02 91.25 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.041 0.837 . . . . 0.0 111.313 169.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 61.1 mtp85 -61.25 -40.2 93.17 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.519 1.128 . . . . 0.0 112.161 176.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 53.4 m -60.89 -43.23 98.75 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.548 1.139 . . . . 0.0 111.696 175.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 50.2 t -68.59 -48.31 72.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 O-C-N 121.283 -0.886 . . . . 0.0 111.846 173.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -52.9 -46.64 68.07 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.705 1.602 . . . . 0.0 112.279 -177.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -62.24 -38.25 95.89 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 123.458 0.552 . . . . 0.0 113.26 178.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -72.14 -44.56 62.94 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.865 -0.785 . . . . 0.0 111.385 176.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 61.4 t -57.18 -44.64 83.84 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 O-C-N 120.909 -1.119 . . . . 0.0 111.406 173.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -58.02 -52.89 63.66 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.939 0.896 . . . . 0.0 111.354 175.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -64.86 -37.8 88.84 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 118.689 -0.672 . . . . 0.0 112.479 -175.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 -64.24 -44.05 93.03 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.441 1.019 . . . . 0.0 111.258 174.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 14.0 t -60.25 -49.29 84.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 CA-C-O 117.84 -1.076 . . . . 0.0 113.452 173.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -61.14 -35.16 76.31 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 120.625 1.557 . . . . 0.0 112.398 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -29.6 63.12 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 177.176 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 48.0 tp -77.43 -50.58 12.41 Favored 'General case' 0 C--O 1.228 -0.048 0 C-N-CA 124.013 0.925 . . . . 0.0 111.801 178.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.8 pt -61.73 -31.88 52.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 CA-C-N 119.113 0.869 . . . . 0.0 112.055 -174.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.72 -21.56 65.29 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 175.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -83.48 -39.54 20.38 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.702 1.201 . . . . 0.0 112.868 174.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.273 1.9 pp -107.82 1.17 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 N-CA-C 115.767 1.765 . . . . 0.0 115.767 -170.173 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.0 m . . . . . 0 C--O 1.255 1.394 0 C-N-CA 124.514 1.125 . . . . 0.0 112.616 170.96 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.451 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 15.9 ttt . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 119.856 -0.116 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -129.94 166.25 20.43 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 126.023 1.729 . . . . 0.0 111.542 172.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -106.36 139.38 40.93 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.795 1.238 . . . . 0.0 110.961 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.2 t -124.54 141.26 45.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 124.345 1.058 . . . . 0.0 109.996 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 11.2 tpp -133.86 133.59 41.73 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.111 0.964 . . . . 0.0 110.17 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -111.34 120.62 42.83 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.442 1.097 . . . . 0.0 110.709 -176.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.2 t -98.24 140.89 17.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 124.808 1.243 . . . . 0.0 111.836 176.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 49.0 t -133.04 178.82 6.6 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 127.616 2.366 . . . . 0.0 109.924 176.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.99 -53.14 15.87 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 119.917 -1.739 . . . . 0.0 111.84 176.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.262 0.1 OUTLIER -128.26 9.88 6.22 Favored 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 116.12 1.896 . . . . 0.0 116.12 179.822 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.393 3.4 t30 52.56 33.54 13.69 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 129.859 3.264 . . . . 0.0 118.885 -173.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.5 p -78.81 -54.07 6.45 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.642 -0.661 . . . . 0.0 112.319 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.9 t -131.53 -171.68 2.66 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.179 1.792 . . . . 0.0 110.844 -176.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 92.5 mtm-85 57.45 -83.01 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 126.946 2.098 . . . . 0.0 113.109 -170.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.7 m -62.56 -30.05 71.03 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.522 1.529 . . . . 0.0 113.445 -171.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -68.5 -34.98 76.85 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 121.36 -0.837 . . . . 0.0 111.595 173.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 47.9 mtt -70.23 -34.24 72.64 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.152 0.981 . . . . 0.0 111.398 170.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.63 -41.65 99.14 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.175 0.59 . . . . 0.0 110.809 177.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -62.43 -43.12 99.58 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 118.881 -0.581 . . . . 0.0 111.373 169.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.26 -47.82 72.51 Favored Glycine 0 N--CA 1.474 1.214 0 C-N-CA 124.326 0.965 . . . . 0.0 114.439 175.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -70.42 -45.46 65.84 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 120.998 -1.296 . . . . 0.0 111.882 175.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.31 -40.11 93.34 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -176.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.6 ptmt -67.36 -25.55 66.04 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 119.54 1.064 . . . . 0.0 113.198 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.9 m -86.46 -56.52 3.39 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.572 1.549 . . . . 0.0 112.577 175.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 76.1 mt -81.47 -30.58 33.32 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.091 1.357 . . . . 0.0 112.188 -171.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -95.89 11.16 68.09 Favored Glycine 0 CA--C 1.524 0.631 0 C-N-CA 126.195 1.855 . . . . 0.0 114.39 175.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.74 113.67 1.05 Allowed 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.601 1.7 . . . . 0.0 112.475 -178.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.89 -19.75 11.19 Favored Glycine 0 CA--C 1.539 1.573 0 C-N-CA 125.01 1.291 . . . . 0.0 114.804 -176.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 1' ' ' MET . 28.8 mtpp -76.61 -38.76 54.24 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.702 1.201 . . . . 0.0 110.486 169.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.5 pp -144.75 171.53 6.13 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 125.05 1.34 . . . . 0.0 113.292 -178.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -125.23 144.6 50.38 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.3 1.44 . . . . 0.0 108.315 168.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -139.28 149.7 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 N-CA-C 115.531 1.678 . . . . 0.0 115.531 -169.223 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.9 m -139.5 150.68 45.42 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.54 1.536 . . . . 0.0 109.985 178.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.7 t -118.72 144.89 45.94 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.194 1.398 . . . . 0.0 111.965 175.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 18.4 t -152.54 154.24 35.04 Favored 'General case' 0 C--O 1.221 -0.437 0 C-N-CA 124.621 1.168 . . . . 0.0 112.714 -169.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -122.49 165.09 15.29 Favored Glycine 0 CA--C 1.524 0.62 0 O-C-N 120.83 -1.169 . . . . 0.0 111.163 169.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.0 mt -65.15 -38.28 90.08 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 119.958 1.879 . . . . 0.0 108.49 169.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -115.26 173.39 6.53 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.991 2.116 . . . . 0.0 109.537 169.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.6 p -147.6 138.98 23.74 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 120.985 -1.072 . . . . 0.0 112.438 -178.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 88.2 p -130.18 -72.85 0.56 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 122.981 0.513 . . . . 0.0 112.024 169.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.34 156.74 21.77 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 126.415 1.886 . . . . 0.0 111.5 -178.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.7 t -62.05 136.48 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.371 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 169.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -62.92 125.76 87.34 Favored Pre-proline 0 N--CA 1.467 0.42 0 CA-C-O 118.711 -0.661 . . . . 0.0 109.496 174.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -70.63 -23.95 26.25 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 CA-C-N 120.267 1.131 . . . . 0.0 111.827 -169.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 59.3 m -71.91 -26.24 62.23 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 121.292 -0.88 . . . . 0.0 111.908 173.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.01 -37.81 86.27 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 120.25 -1.531 . . . . 0.0 112.024 174.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.06 -48.17 82.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 172.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.48 -36.41 84.1 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -178.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.79 -28.66 60.82 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 124.469 1.108 . . . . 0.0 112.676 178.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 80.8 mmm -77.0 -30.52 55.95 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.27 0.941 . . . . 0.0 111.174 169.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -66.67 -22.31 66.09 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.167 -0.958 . . . . 0.0 113.087 173.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -64.09 -27.24 68.96 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 120.135 1.334 . . . . 0.0 112.679 173.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.7 m -103.85 10.51 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 125.391 1.476 . . . . 0.0 112.561 176.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.41 22.15 78.6 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.599 1.095 . . . . 0.0 115.133 177.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 68.9 mt -107.94 145.14 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 125.506 1.522 . . . . 0.0 109.383 178.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -113.81 129.37 56.59 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.45 0.7 . . . . 0.0 112.41 178.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.0 pt -120.5 13.0 6.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.79 1.236 . . . . 0.0 112.725 169.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.0 m -62.67 -27.6 69.35 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 120.6 -1.313 . . . . 0.0 113.325 -177.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.56 -1.74 77.87 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 124.918 1.246 . . . . 0.0 114.872 174.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -87.12 162.53 17.49 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 119.457 1.628 . . . . 0.0 111.284 175.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 23.1 p -143.2 167.87 21.1 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 128.719 2.808 . . . . 0.0 105.775 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.7 m -104.41 137.01 42.91 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.587 -0.696 . . . . 0.0 112.358 177.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -143.89 152.15 54.66 Favored Pre-proline 0 N--CA 1.479 1.013 0 C-N-CA 125.057 1.343 . . . . 0.0 113.031 -175.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -95.84 151.9 1.43 Allowed 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 123.605 2.87 . . . . 0.0 113.958 -169.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 8.2 tt -58.66 -30.66 42.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 126.102 1.761 . . . . 0.0 112.583 -178.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -60.98 -21.97 64.04 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 175.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -94.81 -15.0 24.11 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 179.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -97.47 173.82 6.98 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.998 1.319 . . . . 0.0 113.753 -169.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -127.08 88.89 2.88 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.057 1.343 . . . . 0.0 113.322 -169.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.51 -33.47 31.83 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -179.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -59.38 -25.73 64.51 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.994 1.317 . . . . 0.0 114.133 -177.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -100.84 7.53 43.66 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.196 0.998 . . . . 0.0 113.455 177.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -109.29 98.65 8.04 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.292 1.037 . . . . 0.0 108.442 173.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -55.87 -32.69 63.9 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 121.732 -0.605 . . . . 0.0 111.779 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 40.3 t -126.19 138.2 55.35 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 124.553 1.141 . . . . 0.0 110.806 173.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 51.9 t -125.31 136.64 60.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 124.319 1.048 . . . . 0.0 109.769 173.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 15.3 mm -120.41 139.99 45.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 C-N-CA 124.478 1.111 . . . . 0.0 109.814 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.6 t -106.01 134.91 48.38 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 118.676 0.671 . . . . 0.0 112.135 169.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.5 mp -134.23 48.67 2.31 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.99 1.716 . . . . 0.0 109.332 -176.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 7.1 m -120.34 -3.52 9.96 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 116.438 2.014 . . . . 0.0 116.438 -169.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 83.23 -179.93 52.62 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 124.24 0.924 . . . . 0.0 111.684 -168.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 81.7 m -68.72 -14.22 62.88 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 115.37 1.618 . . . . 0.0 115.37 -170.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -71.65 0.48 35.03 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 124.633 1.111 . . . . 0.0 115.675 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 38.6 t -133.59 137.83 52.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 125.245 1.418 . . . . 0.0 111.931 -169.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -137.56 -2.52 1.96 Allowed 'General case' 0 CA--C 1.552 1.048 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.5 mt 43.46 67.08 4.01 Favored Pre-proline 0 N--CA 1.483 1.186 0 C-N-CA 126.085 1.754 . . . . 0.0 114.71 -177.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -51.06 -28.8 25.91 Favored 'Trans proline' 0 CA--C 1.555 1.535 0 C-N-CA 123.63 2.887 . . . . 0.0 118.981 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -76.59 -160.63 0.12 Allowed 'Trans proline' 0 CA--C 1.549 1.266 0 C-N-CA 122.662 2.241 . . . . 0.0 114.569 -177.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -58.45 -8.07 1.09 Allowed 'General case' 0 N--CA 1.477 0.912 0 O-C-N 120.221 -1.55 . . . . 0.0 115.122 175.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -58.33 -15.95 12.43 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.678 1.591 . . . . 0.0 114.411 171.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.8 m -117.54 4.05 7.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 124.537 1.135 . . . . 0.0 114.038 174.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 43.4 p -98.11 6.03 47.98 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.663 1.185 . . . . 0.0 113.355 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -76.78 -175.99 3.67 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.04 1.336 . . . . 0.0 111.781 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -63.18 -41.05 99.14 Favored 'General case' 0 N--CA 1.48 1.033 0 O-C-N 120.736 -1.227 . . . . 0.0 112.381 -171.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 46.9 mt -140.53 140.48 33.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 125.512 1.525 . . . . 0.0 109.557 175.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -129.51 134.64 47.88 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.69 1.196 . . . . 0.0 109.703 168.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -135.2 155.85 49.98 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.657 1.183 . . . . 0.0 111.054 175.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -124.35 111.96 16.4 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 121.472 0.654 . . . . 0.0 111.792 173.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 43.4 m0 -105.9 85.76 2.27 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.859 1.664 . . . . 0.0 109.91 -173.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -84.77 118.66 24.59 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.949 -171.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 92.1 mt -139.32 172.72 12.41 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.576 1.95 . . . . 0.0 110.979 -175.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 22.9 mp0 -61.2 169.35 2.14 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.856 2.062 . . . . 0.0 112.81 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -117.23 91.1 35.95 Favored Pre-proline 0 CA--C 1.549 0.931 0 C-N-CA 125.837 1.655 . . . . 0.0 110.497 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_exo -66.78 -15.2 46.62 Favored 'Trans proline' 0 C--N 1.359 1.105 0 C-N-CA 124.386 3.391 . . . . 0.0 117.426 -169.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -57.44 110.87 0.94 Allowed 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 119.488 1.04 . . . . 0.0 112.269 -178.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 79.68 14.86 80.55 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 123.876 0.75 . . . . 0.0 113.748 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -90.48 -110.66 0.09 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.413 1.085 . . . . 0.0 110.172 177.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 74.4 m -155.16 157.52 37.54 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 127.22 2.208 . . . . 0.0 109.326 -175.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -68.94 -27.48 65.78 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.446 -0.784 . . . . 0.0 111.854 -174.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -64.73 -34.22 77.82 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.76 0.824 . . . . 0.0 112.28 170.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 78.1 t -72.82 -39.52 59.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 O-C-N 121.05 -1.031 . . . . 0.0 110.282 174.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -58.6 -47.09 85.47 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 118.615 0.643 . . . . 0.0 111.41 170.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 61.2 mtp85 -63.69 -38.97 93.12 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.665 1.186 . . . . 0.0 112.073 178.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 51.8 m -61.26 -40.83 95.55 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.794 1.238 . . . . 0.0 111.775 174.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 41.9 t -68.26 -52.59 36.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 123.367 0.667 . . . . 0.0 111.567 171.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 48.7 ttp180 -52.69 -46.37 67.25 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.567 1.547 . . . . 0.0 112.633 -174.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -62.63 -37.46 94.81 Favored Glycine 0 N--CA 1.474 1.206 0 C-N-CA 123.469 0.557 . . . . 0.0 113.336 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -75.87 -43.82 43.69 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.821 -0.811 . . . . 0.0 111.092 177.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 85.8 t -56.43 -43.78 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 O-C-N 121.288 -0.882 . . . . 0.0 111.648 172.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -56.47 -56.06 25.96 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.904 0.881 . . . . 0.0 111.417 174.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.7 -37.38 87.4 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 118.351 -0.833 . . . . 0.0 111.788 -175.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -60.96 -44.43 97.33 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 119.218 0.917 . . . . 0.0 111.21 176.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 27.0 t -60.94 -49.72 83.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 CA-C-O 118.154 -0.927 . . . . 0.0 112.944 171.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -60.22 -35.59 75.78 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 120.537 1.517 . . . . 0.0 112.415 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.85 -24.96 60.94 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 177.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 48.0 tp -81.95 -50.0 9.64 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.487 1.115 . . . . 0.0 111.936 175.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 6.4 pt -65.01 -24.57 35.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-N 119.484 1.038 . . . . 0.0 113.17 -175.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.76 -19.93 61.95 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 173.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -88.63 -43.62 11.21 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.901 1.28 . . . . 0.0 113.13 176.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.281 1.7 pp -104.45 0.84 10.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 N-CA-C 116.965 2.209 . . . . 0.0 116.965 -169.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 79.1 p . . . . . 0 C--O 1.255 1.38 0 CA-C-N 120.069 1.304 . . . . 0.0 113.692 174.535 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.424 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 11.7 ttt . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 119.851 -0.119 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -130.46 165.61 22.28 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 125.697 1.599 . . . . 0.0 111.868 172.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.417 ' HB2' ' HE2' ' A' ' 3' ' ' LYS . 1.5 mppt? -109.87 139.19 45.24 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.681 1.192 . . . . 0.0 111.251 -176.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.3 t -123.41 138.83 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.265 1.026 . . . . 0.0 109.974 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 7.8 tpp -129.7 135.53 48.6 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.09 0.956 . . . . 0.0 110.511 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -113.85 120.18 39.85 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.484 1.114 . . . . 0.0 112.305 -174.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -97.45 144.99 9.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 C-N-CA 126.44 1.896 . . . . 0.0 111.395 174.364 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 44.4 t -144.17 -169.91 3.23 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.959 2.103 . . . . 0.0 107.271 169.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -64.23 -69.44 0.28 Allowed 'General case' 0 N--CA 1.486 1.357 0 CA-C-N 121.199 1.818 . . . . 0.0 111.824 175.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.6 ptm85 -115.6 15.43 16.59 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 115.444 1.646 . . . . 0.0 115.444 -174.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 56.93 29.86 17.03 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 126.595 1.958 . . . . 0.0 113.794 -175.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.4 p -82.83 -46.2 13.34 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.27 1.428 . . . . 0.0 112.806 -175.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.4 t -140.39 177.68 7.83 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.484 1.514 . . . . 0.0 110.334 -176.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.2 mtm-85 58.47 -71.58 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 127.694 2.398 . . . . 0.0 114.319 -174.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.9 p -50.43 -39.7 48.17 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 126.21 1.804 . . . . 0.0 113.286 177.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -71.21 -37.53 72.08 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.794 0.838 . . . . 0.0 111.892 177.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 53.4 mtt -67.83 -34.76 77.35 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 120.974 -1.079 . . . . 0.0 111.73 174.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.57 -43.48 93.76 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.092 0.557 . . . . 0.0 111.536 176.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -60.65 -42.71 97.54 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.038 0.535 . . . . 0.0 110.381 169.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -47.16 -63.4 3.31 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 126.473 1.987 . . . . 0.0 114.03 171.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -65.48 -40.58 93.28 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 119.131 1.466 . . . . 0.0 112.671 -179.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.86 -39.12 87.45 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 -177.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 ptmt -61.21 -30.57 70.51 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 120.167 1.348 . . . . 0.0 113.025 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.7 m -91.75 -52.21 4.86 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.814 1.645 . . . . 0.0 112.312 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 89.1 mt -75.73 -31.11 59.48 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.406 0.683 . . . . 0.0 112.568 -175.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -99.34 11.54 61.68 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 126.399 1.952 . . . . 0.0 114.992 176.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.01 109.98 0.31 Allowed 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 119.049 1.424 . . . . 0.0 113.535 -173.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.87 -18.56 20.46 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 124.832 1.206 . . . . 0.0 115.008 175.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 1' ' ' MET . 17.2 ptmt -87.22 -26.68 23.4 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 118.11 0.955 . . . . 0.0 112.852 169.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 pp -133.91 171.53 17.8 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 123.763 0.825 . . . . 0.0 111.854 169.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.69 145.93 52.04 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.132 0.973 . . . . 0.0 109.389 168.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -140.29 150.62 21.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 -169.287 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.7 m -143.94 149.59 37.04 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.86 1.664 . . . . 0.0 108.927 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.0 p -124.93 151.98 44.71 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 120.844 -1.16 . . . . 0.0 112.332 169.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 17.1 p -155.19 -177.25 6.41 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.367 1.467 . . . . 0.0 111.263 -178.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -149.29 166.92 29.58 Favored Glycine 0 N--CA 1.466 0.696 0 O-C-N 120.771 -1.205 . . . . 0.0 112.088 169.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.04 -15.05 62.71 Favored 'General case' 0 N--CA 1.48 1.075 0 CA-C-N 118.927 1.363 . . . . 0.0 113.383 176.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -136.58 -179.73 5.86 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 127.163 2.185 . . . . 0.0 108.906 169.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.4 t -137.69 144.28 41.71 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 120.957 -1.089 . . . . 0.0 112.448 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.9 t -143.09 -104.56 0.13 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.223 1.409 . . . . 0.0 110.497 174.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.85 160.87 41.76 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.289 1.836 . . . . 0.0 111.465 173.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.4 t -63.23 139.07 21.86 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 171.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -67.5 124.87 90.24 Favored Pre-proline 0 N--CA 1.466 0.352 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 172.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.03 -25.03 32.35 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 CA-C-N 120.293 1.14 . . . . 0.0 112.363 -169.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 51.2 m -69.23 -26.92 65.04 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 121.291 -0.881 . . . . 0.0 111.994 174.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.84 -39.32 94.0 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 120.618 -1.301 . . . . 0.0 112.144 174.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mp -57.67 -48.59 83.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 172.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.15 -37.94 89.22 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -177.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 7.4 mmt -75.41 -28.38 59.4 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.116 0.966 . . . . 0.0 112.269 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 81.8 mmm -77.46 -30.11 53.06 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 119.213 0.915 . . . . 0.0 111.808 169.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -67.26 -25.16 65.94 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 120.998 -1.064 . . . . 0.0 112.745 174.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -60.64 -30.91 70.17 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 119.874 1.216 . . . . 0.0 112.827 173.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 30.4 m -99.08 8.32 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 125.211 1.404 . . . . 0.0 112.642 176.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.47 24.33 76.45 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 124.966 1.27 . . . . 0.0 114.907 177.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 75.5 mt -112.16 139.35 37.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 125.139 1.376 . . . . 0.0 110.278 -176.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -104.38 125.89 50.99 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 -171.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.8 pt -134.66 21.55 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 124.588 1.155 . . . . 0.0 112.456 169.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.3 t -78.07 -30.87 49.91 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 121.008 -1.058 . . . . 0.0 112.686 -176.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -83.54 13.98 43.81 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 125.015 1.293 . . . . 0.0 115.639 -178.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -126.96 164.09 22.25 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.631 1.715 . . . . 0.0 111.76 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 35.1 p -131.04 176.15 8.49 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 127.303 2.241 . . . . 0.0 107.485 -173.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.1 m -74.85 148.13 40.48 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 121.74 -0.6 . . . . 0.0 112.459 170.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -141.52 146.38 41.66 Favored Pre-proline 0 CA--C 1.551 0.997 0 C-N-CA 124.399 1.079 . . . . 0.0 113.073 170.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -88.39 149.01 6.46 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 123.869 3.046 . . . . 0.0 114.102 -174.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.8 tt -57.86 -35.86 53.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 127.008 2.123 . . . . 0.0 112.076 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.31 -21.99 66.6 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 -177.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.08 -13.85 43.1 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 176.288 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -99.29 171.45 7.97 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.148 1.379 . . . . 0.0 113.588 -170.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -124.6 85.98 2.49 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.203 1.401 . . . . 0.0 112.34 -169.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.54 -33.67 46.58 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -55.57 -27.04 46.82 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.557 1.543 . . . . 0.0 114.29 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -83.46 -31.76 26.38 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 175.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -80.3 102.93 9.83 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.729 0.812 . . . . 0.0 109.41 -171.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -49.31 -36.11 20.12 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.124 0.97 . . . . 0.0 111.762 175.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.1 t -130.23 136.1 59.38 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 C-N-CA 123.95 0.9 . . . . 0.0 110.795 177.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 56.0 t -121.19 137.19 55.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 123.929 0.891 . . . . 0.0 110.128 171.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 29.7 mm -122.8 136.38 59.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 124.604 1.161 . . . . 0.0 109.514 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.2 t -105.78 132.65 51.65 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 118.633 0.651 . . . . 0.0 110.924 169.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.0 mp -126.35 49.53 2.0 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 126.206 1.802 . . . . 0.0 107.867 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 21.0 p -83.45 -33.39 25.66 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 116.587 2.069 . . . . 0.0 116.587 -168.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.19 43.77 15.51 Favored Glycine 0 CA--C 1.537 1.421 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -169.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 68.2 m 59.45 -179.45 0.08 Allowed 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 127.21 2.204 . . . . 0.0 113.291 -169.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 80.13 4.72 89.79 Favored Glycine 0 CA--C 1.54 1.626 0 O-C-N 120.911 -1.118 . . . . 0.0 115.356 -177.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 61.5 t -141.64 136.48 31.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 126.184 1.793 . . . . 0.0 109.431 -175.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -137.29 -0.26 2.24 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 115.572 1.693 . . . . 0.0 115.572 178.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 40.4 mt 44.07 65.78 5.54 Favored Pre-proline 0 CA--C 1.555 1.147 0 C-N-CA 126.346 1.858 . . . . 0.0 115.12 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -51.03 -29.11 26.64 Favored 'Trans proline' 0 CA--C 1.557 1.644 0 C-N-CA 123.418 2.745 . . . . 0.0 119.174 179.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -77.07 -158.66 0.09 OUTLIER 'Trans proline' 0 CA--C 1.55 1.296 0 C-N-CA 122.669 2.246 . . . . 0.0 115.001 -176.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -53.02 -13.28 0.43 Allowed 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 126.101 1.76 . . . . 0.0 115.356 172.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 86.2 m95 -60.08 -15.93 27.47 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.909 1.684 . . . . 0.0 114.893 173.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.6 m -118.72 3.41 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 124.459 1.104 . . . . 0.0 113.907 173.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 43.4 p -94.07 2.18 56.06 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.109 0.964 . . . . 0.0 113.36 177.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 71.7 mm-40 -74.97 175.87 7.71 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.765 1.226 . . . . 0.0 112.421 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -65.0 -36.45 84.46 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -169.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 42.9 mt -137.31 135.54 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 123.889 0.875 . . . . 0.0 110.043 169.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -126.58 134.8 50.73 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.308 1.043 . . . . 0.0 109.198 168.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -134.81 153.79 51.89 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.149 0.979 . . . . 0.0 111.394 175.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -124.78 114.85 19.8 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.981 0.912 . . . . 0.0 111.868 173.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.417 ' CE2' ' HB3' ' A' ' 122' ' ' ARG . 36.9 m0 -104.07 90.12 3.49 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 125.757 1.623 . . . . 0.0 109.688 -174.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -82.96 101.55 11.14 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 122.98 0.512 . . . . 0.0 110.237 -175.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 63.3 mt -116.83 168.99 9.73 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.503 1.521 . . . . 0.0 110.47 177.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -71.27 173.49 7.68 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 122.085 0.945 . . . . 0.0 112.1 173.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -114.49 100.67 53.43 Favored Pre-proline 0 CA--C 1.552 1.046 0 C-N-CA 126.571 1.949 . . . . 0.0 111.854 -170.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_exo -70.34 -14.22 34.04 Favored 'Trans proline' 0 C--N 1.357 0.995 0 C-N-CA 123.466 2.777 . . . . 0.0 117.38 -170.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -55.86 113.74 1.62 Allowed 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.465 1.03 . . . . 0.0 112.524 -177.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.06 15.6 79.81 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 123.975 0.797 . . . . 0.0 114.404 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -89.06 -97.26 0.1 Allowed 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 118.119 0.96 . . . . 0.0 110.877 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.7 t -160.57 164.96 31.56 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.843 1.657 . . . . 0.0 109.737 171.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 59.5 mt -58.8 -37.9 77.37 Favored 'General case' 0 C--O 1.221 -0.402 0 C-N-CA 123.86 0.864 . . . . 0.0 112.21 175.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -58.94 -35.43 73.12 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.614 -0.679 . . . . 0.0 112.549 174.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 94.0 t -75.22 -38.13 40.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 O-C-N 121.388 -0.82 . . . . 0.0 111.102 175.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -60.44 -45.88 92.07 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.883 0.765 . . . . 0.0 111.411 170.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -62.83 -39.77 95.36 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.689 1.195 . . . . 0.0 111.934 177.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 53.0 m -62.33 -39.69 93.9 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.155 0.982 . . . . 0.0 111.707 175.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 40.3 t -70.33 -50.33 47.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 O-C-N 121.667 -0.646 . . . . 0.0 111.378 172.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 57.0 ttp180 -49.58 -47.36 49.45 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 126.126 1.77 . . . . 0.0 112.157 -179.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -59.6 -46.55 93.8 Favored Glycine 0 N--CA 1.471 1.033 0 C-N-CA 123.639 0.637 . . . . 0.0 112.961 178.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -69.74 -37.76 76.6 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 121.149 -1.206 . . . . 0.0 111.929 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 49.1 t -64.98 -42.9 95.95 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 O-C-N 120.973 -1.079 . . . . 0.0 111.51 174.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -53.49 -55.37 25.92 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.185 0.994 . . . . 0.0 109.783 170.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -54.28 -52.2 62.2 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.543 0.737 . . . . 0.0 112.202 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.417 ' HB3' ' CE2' ' A' ' 99' ' ' TRP . 26.1 mmm180 -63.68 -30.81 71.86 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 119.668 -0.813 . . . . 0.0 111.572 -175.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 22.0 t -70.89 -55.22 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 169.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -68.24 -23.69 64.83 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 119.878 1.217 . . . . 0.0 113.315 -173.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -80.24 -27.45 38.71 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 171.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 42.2 tp -76.9 -48.18 19.01 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.58 1.152 . . . . 0.0 112.341 175.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 11.0 pt -61.82 -29.76 46.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 CA-C-N 119.411 1.005 . . . . 0.0 112.658 -173.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.5 -21.53 65.5 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 175.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -82.09 -37.95 25.59 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.487 1.115 . . . . 0.0 112.906 174.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 1.9 pp -109.47 -5.34 10.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 N-CA-C 116.662 2.097 . . . . 0.0 116.662 -169.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.6 m . . . . . 0 C--O 1.253 1.266 0 CA-C-N 120.106 1.321 . . . . 0.0 112.819 177.047 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.412 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 12.0 ttt . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 119.716 -0.183 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -130.5 163.82 26.17 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 125.89 1.676 . . . . 0.0 112.076 173.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.415 ' HB2' ' HE2' ' A' ' 3' ' ' LYS . 1.5 mppt? -105.41 137.43 43.24 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.43 1.092 . . . . 0.0 111.115 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.6 t -121.64 139.18 49.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 124.49 1.116 . . . . 0.0 109.972 177.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.8 tpp -130.37 133.11 46.15 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 124.104 0.961 . . . . 0.0 109.807 -178.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -108.05 137.49 45.95 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.241 1.016 . . . . 0.0 111.141 -175.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.3 t -116.19 135.35 56.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 126.711 2.004 . . . . 0.0 110.141 177.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -131.88 177.34 7.61 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.564 1.546 . . . . 0.0 110.785 169.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -49.74 52.82 Favored 'General case' 0 N--CA 1.485 1.307 0 O-C-N 120.936 -1.102 . . . . 0.0 112.867 -178.095 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.283 0.0 OUTLIER -122.39 14.33 10.36 Favored 'General case' 0 N--CA 1.5 2.056 0 N-CA-C 116.048 1.87 . . . . 0.0 116.048 173.505 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 48.03 38.71 9.96 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 128.121 2.568 . . . . 0.0 115.633 -177.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.8 p -95.96 -32.54 12.55 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 114.781 1.4 . . . . 0.0 114.781 -176.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.1 t -138.28 -156.12 0.66 Allowed 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.527 1.531 . . . . 0.0 109.584 -176.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 45.17 -86.46 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 127.683 2.393 . . . . 0.0 114.138 172.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 m -51.51 -33.85 33.54 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 126.922 2.089 . . . . 0.0 113.809 174.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -70.19 -38.17 75.28 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.608 -0.683 . . . . 0.0 111.929 175.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 53.0 mtt -68.42 -32.27 72.19 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.972 0.909 . . . . 0.0 111.776 171.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.8 -40.25 96.2 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.334 0.654 . . . . 0.0 111.317 178.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -62.95 -40.94 99.2 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 119.122 -0.466 . . . . 0.0 110.892 169.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.43 -47.69 86.22 Favored Glycine 0 N--CA 1.476 1.331 0 C-N-CA 124.773 1.178 . . . . 0.0 114.532 175.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -71.59 -44.64 64.1 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 120.764 -1.433 . . . . 0.0 112.023 175.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.93 -40.08 94.5 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 118.547 -0.74 . . . . 0.0 112.895 -178.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.8 ptmm? -63.71 -27.07 68.96 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-N 120.008 1.276 . . . . 0.0 113.295 178.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.5 m -89.18 -51.0 5.81 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.597 1.559 . . . . 0.0 112.483 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 76.7 mt -85.07 -29.06 25.22 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.921 1.289 . . . . 0.0 112.141 -171.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -99.92 13.45 60.61 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 126.457 1.979 . . . . 0.0 114.255 172.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.5 110.37 0.33 Allowed 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.007 1.404 . . . . 0.0 113.482 -173.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.49 -17.43 24.75 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 124.972 1.272 . . . . 0.0 114.812 176.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 1' ' ' MET . 17.7 ptmt -88.45 -25.33 22.68 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 118.274 1.037 . . . . 0.0 112.803 169.515 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 pp -133.91 170.61 19.45 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 C-N-CA 123.727 0.811 . . . . 0.0 112.093 169.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -129.51 146.5 51.33 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.358 1.063 . . . . 0.0 109.54 168.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -139.99 150.34 21.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 N-CA-C 115.469 1.655 . . . . 0.0 115.469 -169.434 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.4 m -140.74 148.33 40.54 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.788 1.635 . . . . 0.0 110.002 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.2 t -118.43 142.1 47.89 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.716 1.206 . . . . 0.0 112.78 173.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 15.5 p -153.67 -177.27 6.26 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.351 1.46 . . . . 0.0 112.453 177.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -154.77 167.01 32.56 Favored Glycine 0 N--CA 1.467 0.75 0 O-C-N 120.114 -1.616 . . . . 0.0 112.72 170.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.41 HD21 ' H ' ' A' ' 37' ' ' LEU . 0.7 OUTLIER -65.39 -16.97 64.16 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 118.68 1.24 . . . . 0.0 112.758 174.467 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -138.46 169.27 18.09 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.733 2.013 . . . . 0.0 109.171 169.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.0 t -131.06 148.73 52.78 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.974 1.309 . . . . 0.0 111.663 179.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.9 t -140.46 -81.29 0.26 Allowed 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.006 0.922 . . . . 0.0 111.701 173.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.64 162.05 21.24 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 127.131 2.172 . . . . 0.0 109.856 171.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.4 t -65.13 137.0 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 CA-C-N 119.995 1.27 . . . . 0.0 108.496 169.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 -68.94 124.47 90.38 Favored Pre-proline 0 N--CA 1.465 0.281 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 173.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -67.69 -24.64 40.94 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 CA-C-N 120.452 1.197 . . . . 0.0 112.164 -169.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 40.9 m -70.7 -29.17 65.39 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.622 -0.674 . . . . 0.0 112.175 173.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.96 -45.32 93.06 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 120.75 -1.219 . . . . 0.0 111.488 174.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.3 mt -59.92 -43.0 91.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 123.994 0.918 . . . . 0.0 110.967 174.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.96 -42.94 99.97 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 118.547 0.612 . . . . 0.0 111.371 177.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 4.9 mmt -69.08 -25.62 64.52 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.393 1.077 . . . . 0.0 112.749 -179.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 82.8 mmm -79.52 -36.48 38.44 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 118.902 0.774 . . . . 0.0 111.411 169.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -67.54 -27.03 66.61 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.061 -1.025 . . . . 0.0 112.532 175.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -62.95 -19.99 64.8 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.262 1.025 . . . . 0.0 113.321 171.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 30.0 m -109.82 14.93 8.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 125.288 1.435 . . . . 0.0 112.632 170.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.87 16.75 78.18 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 125.091 1.329 . . . . 0.0 115.204 175.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.1 mt -101.96 125.32 56.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 C-N-CA 124.954 1.302 . . . . 0.0 109.666 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -95.16 123.54 38.71 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 121.018 0.437 . . . . 0.0 112.143 -178.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.5 pt -126.65 15.91 3.73 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 C-N-CA 125.586 1.554 . . . . 0.0 112.232 169.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.8 m -62.15 -26.11 68.13 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 120.812 -1.18 . . . . 0.0 113.563 -170.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -82.5 2.21 85.89 Favored Glycine 0 CA--C 1.539 1.549 0 C-N-CA 125.044 1.307 . . . . 0.0 115.25 175.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -73.38 154.54 40.01 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 119.88 1.84 . . . . 0.0 111.736 177.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 25.5 p -136.59 162.31 33.47 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 127.855 2.462 . . . . 0.0 106.991 169.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 77.2 p -87.52 146.82 25.63 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.258 -0.901 . . . . 0.0 112.315 172.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -143.95 146.82 35.75 Favored Pre-proline 0 N--CA 1.479 0.988 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -86.39 147.12 8.68 Favored 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 123.723 2.948 . . . . 0.0 113.894 -175.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.6 tt -56.98 -34.0 43.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 127.022 2.129 . . . . 0.0 112.075 178.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -59.7 -25.37 64.74 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.924 1.29 . . . . 0.0 114.068 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.32 -12.4 40.65 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 178.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -99.01 171.36 8.09 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.887 1.275 . . . . 0.0 114.028 -169.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -122.27 85.48 2.42 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.179 1.392 . . . . 0.0 113.224 -169.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.62 -33.63 34.0 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -57.55 -28.11 63.25 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.243 1.417 . . . . 0.0 114.244 -178.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -86.46 -32.62 20.73 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 177.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -74.54 110.72 9.06 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 -176.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -53.39 -37.27 62.32 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 121.795 -0.566 . . . . 0.0 111.02 174.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.5 t -133.16 138.31 51.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 C-N-CA 124.334 1.054 . . . . 0.0 110.192 -175.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 45.9 t -124.73 138.3 54.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.127 0.971 . . . . 0.0 109.995 173.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 23.6 mm -129.18 125.84 63.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 124.277 1.031 . . . . 0.0 109.955 -174.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.9 t -92.09 141.74 28.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.402 0.62 . . . . 0.0 109.509 168.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.3 mp -129.06 39.41 3.78 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.689 1.196 . . . . 0.0 109.117 172.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 77.9 m -98.63 -37.65 9.43 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 115.253 1.575 . . . . 0.0 115.253 -169.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 93.9 -158.97 23.51 Favored Glycine 0 CA--C 1.539 1.536 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 -168.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 28.0 p -65.84 162.65 18.47 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-O 121.824 0.821 . . . . 0.0 113.208 174.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 83.77 1.72 89.89 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 124.43 1.014 . . . . 0.0 115.069 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 60.7 t -134.93 134.17 53.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 125.813 1.645 . . . . 0.0 109.941 -179.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -141.29 -3.29 1.2 Allowed 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 116.057 1.873 . . . . 0.0 116.057 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 43.3 mt 44.52 59.82 13.04 Favored Pre-proline 0 CA--C 1.553 1.083 0 C-N-CA 125.995 1.718 . . . . 0.0 114.756 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -58.65 -17.79 37.16 Favored 'Trans proline' 0 CA--C 1.557 1.627 0 N-CA-C 118.784 2.571 . . . . 0.0 118.784 -177.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_exo -76.01 -159.76 0.1 OUTLIER 'Trans proline' 0 C--N 1.362 1.256 0 CA-C-N 124.044 2.48 . . . . 0.0 113.864 176.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -59.04 -7.73 1.2 Allowed 'General case' 0 N--CA 1.479 0.982 0 O-C-N 120.064 -1.647 . . . . 0.0 115.146 174.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -60.32 -15.41 25.19 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.365 1.466 . . . . 0.0 114.524 172.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 34.7 m -117.84 3.2 7.34 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 173.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 43.8 p -96.15 4.03 52.79 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.181 0.992 . . . . 0.0 113.21 178.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -75.09 -179.37 4.31 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.286 1.034 . . . . 0.0 112.029 177.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -63.34 -41.36 98.87 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 121.358 -0.839 . . . . 0.0 112.827 -169.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 44.7 mt -136.98 139.33 44.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 124.82 1.248 . . . . 0.0 109.779 171.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -127.73 135.52 50.27 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.469 1.108 . . . . 0.0 110.243 168.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -134.46 155.11 50.92 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.746 1.218 . . . . 0.0 111.693 176.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -132.79 94.29 3.36 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.51 1.124 . . . . 0.0 109.881 175.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 28.3 m95 -91.0 100.92 13.7 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.546 0.738 . . . . 0.0 109.534 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -85.15 113.28 21.42 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.281 0.632 . . . . 0.0 110.084 -174.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 66.7 mt -121.23 170.25 9.77 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.506 1.522 . . . . 0.0 112.277 -174.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 25.2 mp0 -64.65 164.55 11.78 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.08 1.752 . . . . 0.0 111.366 172.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -113.66 99.89 50.85 Favored Pre-proline 0 CA--C 1.547 0.853 0 C-N-CA 125.295 1.438 . . . . 0.0 111.474 -178.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -74.23 -15.02 23.0 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 123.59 2.86 . . . . 0.0 116.46 -173.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -59.8 107.92 0.68 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.047 0.939 . . . . 0.0 111.514 -175.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.16 13.14 74.91 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 124.071 0.843 . . . . 0.0 114.831 -177.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -91.93 -105.74 0.11 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.726 1.21 . . . . 0.0 111.054 178.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.1 t -158.69 167.8 28.55 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.802 1.641 . . . . 0.0 110.281 173.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 81.6 mt -59.04 -35.55 73.51 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.494 1.118 . . . . 0.0 112.851 178.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -59.67 -36.25 76.06 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.529 0.732 . . . . 0.0 111.958 173.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 91.4 t -78.32 -35.39 19.49 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 O-C-N 122.068 -0.395 . . . . 0.0 110.654 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -62.43 -44.32 96.69 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.782 -0.574 . . . . 0.0 110.92 169.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -60.37 -41.54 93.93 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.088 1.355 . . . . 0.0 112.001 175.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 52.6 m -60.51 -43.41 97.1 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.463 1.105 . . . . 0.0 111.575 176.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.46 -48.53 66.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 O-C-N 121.189 -0.944 . . . . 0.0 112.358 172.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 -52.32 -47.52 65.94 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 126.061 1.744 . . . . 0.0 112.15 -178.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -61.87 -37.52 94.49 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 123.745 0.688 . . . . 0.0 113.305 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -71.85 -48.63 44.69 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 117.83 0.815 . . . . 0.0 111.077 175.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 60.4 t -53.24 -44.38 52.96 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.309 0 CA-C-N 119.679 1.127 . . . . 0.0 111.224 174.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -56.94 -54.92 41.19 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.794 0.838 . . . . 0.0 111.214 174.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -65.35 -37.51 87.27 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 118.753 -0.641 . . . . 0.0 112.711 -175.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -63.93 -44.13 93.8 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.473 1.033 . . . . 0.0 110.8 176.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 12.2 t -61.52 -49.76 83.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-O 117.676 -1.154 . . . . 0.0 113.049 172.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -58.58 -36.29 73.74 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 121.05 1.75 . . . . 0.0 112.546 178.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.7 -20.56 59.81 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 178.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 54.8 tp -89.56 -47.94 7.64 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.3 1.44 . . . . 0.0 111.679 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 11.0 pt -64.46 -27.96 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 CA-C-N 119.476 1.035 . . . . 0.0 112.866 -177.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.19 -18.1 63.87 Favored 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 174.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -88.71 -40.1 13.5 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.851 1.26 . . . . 0.0 112.983 175.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.256 1.6 pp -106.27 -1.41 9.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 N-CA-C 116.813 2.153 . . . . 0.0 116.813 -169.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 66.0 p . . . . . 0 C--O 1.256 1.405 0 CA-C-N 120.042 1.292 . . . . 0.0 113.866 176.403 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.478 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 19.8 ttt . . . . . 0 N--CA 1.489 1.477 0 CA-C-O 119.386 -0.34 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -128.91 166.42 19.15 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 125.153 1.381 . . . . 0.0 112.105 173.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.409 ' HB2' ' HE2' ' A' ' 3' ' ' LYS . 1.4 mppt? -105.28 137.89 42.35 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.633 1.173 . . . . 0.0 111.721 -178.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.6 t -124.95 139.95 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 124.82 1.248 . . . . 0.0 110.053 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.0 tpp -133.09 133.66 43.26 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.86 0.864 . . . . 0.0 109.86 -178.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -104.03 139.59 38.93 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.485 0.714 . . . . 0.0 111.584 -176.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.4 t -120.55 128.69 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 126.805 2.042 . . . . 0.0 110.602 174.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.6 t -127.13 165.65 19.14 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.406 1.483 . . . . 0.0 108.305 169.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -34.67 78.21 Favored 'General case' 0 N--CA 1.485 1.292 0 O-C-N 120.776 -1.202 . . . . 0.0 112.788 -172.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.274 0.2 OUTLIER -133.29 9.28 4.04 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 117.439 2.385 . . . . 0.0 117.439 173.401 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 51.64 31.5 7.92 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 127.255 2.222 . . . . 0.0 116.427 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.0 p -87.42 -35.87 18.05 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.413 1.485 . . . . 0.0 112.873 174.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.3 p -144.75 174.76 10.71 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.443 1.897 . . . . 0.0 110.941 -169.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.1 mtm-85 56.29 -76.41 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 127.065 2.146 . . . . 0.0 114.399 -173.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.7 p -45.63 -42.9 11.87 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 126.82 2.048 . . . . 0.0 114.367 176.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -70.46 -36.07 73.69 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.022 0.529 . . . . 0.0 111.135 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.4 mtp -74.26 -32.64 63.01 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.592 1.157 . . . . 0.0 111.632 176.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.29 -44.13 95.92 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.283 1.033 . . . . 0.0 111.457 171.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -61.26 -42.81 99.27 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.242 0.617 . . . . 0.0 111.077 170.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.94 -49.12 60.05 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 125.6 1.572 . . . . 0.0 114.841 172.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -70.42 -46.38 64.06 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 120.725 -1.456 . . . . 0.0 111.616 176.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.47 -40.38 96.95 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -176.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -64.12 -26.42 68.53 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 119.776 1.171 . . . . 0.0 113.113 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.2 m -89.82 -52.56 4.92 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.823 1.649 . . . . 0.0 112.062 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 74.1 mt -82.24 -31.58 30.14 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.825 1.25 . . . . 0.0 112.008 -172.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -96.42 11.51 66.92 Favored Glycine 0 CA--C 1.526 0.729 0 C-N-CA 126.131 1.824 . . . . 0.0 114.151 175.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.72 113.05 0.81 Allowed 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 119.815 1.807 . . . . 0.0 112.727 -179.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.12 -17.38 17.84 Favored Glycine 0 CA--C 1.538 1.47 0 C-N-CA 125.131 1.348 . . . . 0.0 114.953 -176.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.478 ' O ' ' HA ' ' A' ' 1' ' ' MET . 29.4 mtpp -78.8 -38.2 38.87 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.165 1.386 . . . . 0.0 110.356 169.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.4 pp -144.42 169.51 9.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 125.179 1.392 . . . . 0.0 112.89 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -123.72 142.6 50.93 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.95 1.3 . . . . 0.0 108.142 168.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -135.81 151.63 29.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 N-CA-C 115.216 1.561 . . . . 0.0 115.216 -169.411 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.6 m -140.72 147.95 39.98 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.653 1.581 . . . . 0.0 109.316 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.3 t -115.55 140.06 49.51 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.14 0.976 . . . . 0.0 112.312 173.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 14.3 p -153.12 -178.27 6.83 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.593 1.157 . . . . 0.0 112.644 175.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -153.92 166.09 31.84 Favored Glycine 0 N--CA 1.466 0.686 0 O-C-N 120.243 -1.536 . . . . 0.0 112.59 169.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.434 HD23 ' H ' ' A' ' 37' ' ' LEU 0.26 0.6 OUTLIER -66.85 -11.23 54.94 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 118.257 1.028 . . . . 0.0 113.481 176.874 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -142.52 165.85 26.27 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 127.621 2.368 . . . . 0.0 108.113 168.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.2 p -125.44 118.35 25.65 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.121 0.968 . . . . 0.0 111.953 176.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.5 t -99.71 -125.23 0.16 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.628 1.571 . . . . 0.0 109.43 175.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.0 146.12 48.73 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 127.574 2.349 . . . . 0.0 109.543 170.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -58.79 133.43 23.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 CA-C-N 119.049 0.841 . . . . 0.0 109.544 169.424 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -74.45 128.85 85.14 Favored Pre-proline 0 CA--C 1.534 0.365 0 CA-C-O 119.077 -0.487 . . . . 0.0 110.357 -176.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -72.33 -28.03 15.6 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 CA-C-N 120.144 1.087 . . . . 0.0 111.998 -171.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.0 m -72.9 -27.71 62.04 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.49 -0.756 . . . . 0.0 111.64 175.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.73 -48.41 79.69 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 121.0 -1.062 . . . . 0.0 111.703 173.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.6 mt -57.8 -46.84 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 123.508 0.723 . . . . 0.0 109.944 175.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.2 -37.27 79.73 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 9.0 mmt -77.56 -28.61 51.85 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.502 1.121 . . . . 0.0 111.876 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 84.0 mmm -75.73 -29.68 58.99 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.989 0.813 . . . . 0.0 111.797 169.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -68.21 -24.22 64.91 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.066 -1.021 . . . . 0.0 112.752 174.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -62.41 -28.31 69.7 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.727 1.149 . . . . 0.0 112.785 173.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.0 m -102.15 10.15 8.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 125.663 1.585 . . . . 0.0 112.54 176.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.59 22.56 78.3 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 125.084 1.326 . . . . 0.0 115.198 176.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 65.9 mt -108.85 138.23 36.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 125.201 1.401 . . . . 0.0 110.555 -176.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -107.0 125.0 50.43 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.41 1.084 . . . . 0.0 113.056 -176.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.3 pt -130.54 23.57 1.84 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.931 0 C-N-CA 125.687 1.595 . . . . 0.0 112.125 169.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.3 t -76.5 -28.66 56.52 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 120.526 -1.359 . . . . 0.0 112.731 -178.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -79.01 8.89 41.71 Favored Glycine 0 CA--C 1.538 1.469 0 C-N-CA 125.396 1.474 . . . . 0.0 115.97 -178.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -134.24 160.4 37.97 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.281 1.433 . . . . 0.0 111.137 -178.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.2 t -142.92 -172.97 3.77 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 123.545 0.738 . . . . 0.0 109.67 171.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 25.2 m -61.4 134.5 56.97 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 124.477 1.111 . . . . 0.0 113.162 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -137.47 145.35 48.97 Favored Pre-proline 0 CA--C 1.549 0.925 0 C-N-CA 124.185 0.994 . . . . 0.0 113.23 171.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -86.92 144.75 7.4 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 123.368 2.712 . . . . 0.0 113.998 -170.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 11.1 tt -54.72 -34.54 30.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 127.475 2.31 . . . . 0.0 112.019 178.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -63.82 -23.19 67.26 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.545 1.138 . . . . 0.0 113.955 -177.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.83 -13.28 39.69 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 177.43 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -98.1 171.47 8.22 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.119 1.368 . . . . 0.0 113.55 -170.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -122.86 83.9 2.19 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.256 1.422 . . . . 0.0 113.076 -169.468 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.89 -28.12 55.17 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 -177.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -58.38 -31.51 67.72 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.462 1.505 . . . . 0.0 113.832 178.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -86.02 -33.44 21.04 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -70.02 114.62 8.37 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -60.61 -32.12 71.27 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.744 -0.597 . . . . 0.0 111.084 176.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 93.6 t -135.73 140.17 44.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 125.407 1.483 . . . . 0.0 110.361 -176.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 43.0 t -128.76 136.18 60.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.311 1.044 . . . . 0.0 110.215 176.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 31.5 mm -127.95 113.46 30.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 C-N-CA 123.915 0.886 . . . . 0.0 110.033 -170.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 21.2 t -84.02 145.89 28.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.452 0.644 . . . . 0.0 109.927 169.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 mp -134.06 44.85 2.68 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.316 1.446 . . . . 0.0 108.733 172.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 86.4 m -106.25 -27.67 10.89 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 115.498 1.666 . . . . 0.0 115.498 -169.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.87 -165.34 49.26 Favored Glycine 0 CA--C 1.537 1.44 0 CA-C-N 118.775 0.716 . . . . 0.0 111.809 -169.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 76.7 m -60.17 152.06 25.48 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.955 0.902 . . . . 0.0 112.807 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.58 -0.31 77.09 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 124.531 1.063 . . . . 0.0 115.259 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 58.1 t -132.36 121.8 46.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.218 1.407 . . . . 0.0 110.145 177.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -131.46 -0.77 3.96 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 114.887 1.44 . . . . 0.0 114.887 -177.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 44.8 mt 42.87 64.5 6.26 Favored Pre-proline 0 N--CA 1.481 1.118 0 C-N-CA 126.207 1.803 . . . . 0.0 114.767 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -50.71 -27.95 21.38 Favored 'Trans proline' 0 CA--C 1.556 1.609 0 C-N-CA 123.504 2.803 . . . . 0.0 119.314 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -76.51 -156.87 0.06 OUTLIER 'Trans proline' 0 CA--C 1.547 1.126 0 C-N-CA 122.72 2.28 . . . . 0.0 114.927 -177.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -55.39 -3.7 0.07 Allowed 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 126.302 1.841 . . . . 0.0 115.237 169.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -76.33 5.1 7.57 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.672 1.989 . . . . 0.0 115.271 174.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 34.6 m -134.52 11.77 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 124.94 1.296 . . . . 0.0 113.446 170.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 82.4 p -97.91 9.95 41.47 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 125.013 1.325 . . . . 0.0 112.851 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 19.6 mp0 -59.44 174.06 0.46 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 129.008 2.923 . . . . 0.0 113.811 177.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -68.42 -40.86 81.07 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.342 169.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 36.1 mt -136.29 138.01 47.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 125.12 1.368 . . . . 0.0 109.991 171.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -125.53 136.33 53.21 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.489 1.116 . . . . 0.0 109.116 168.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -130.34 158.22 40.41 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.237 1.015 . . . . 0.0 112.073 177.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -136.13 92.19 2.76 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.621 1.169 . . . . 0.0 109.719 171.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 50.5 m95 -88.04 97.51 11.01 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.611 0.72 . . . . 0.0 110.156 -178.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -80.44 123.79 28.35 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.389 0.676 . . . . 0.0 110.738 -172.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 77.0 mt -142.54 168.81 18.85 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.18 1.792 . . . . 0.0 110.4 -178.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -73.42 178.14 4.79 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 122.249 1.023 . . . . 0.0 112.677 175.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -119.57 98.14 49.99 Favored Pre-proline 0 CA--C 1.545 0.775 0 C-N-CA 124.607 1.163 . . . . 0.0 113.249 -169.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -71.18 -15.51 31.86 Favored 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 123.968 3.112 . . . . 0.0 116.904 -172.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -56.61 100.77 0.05 OUTLIER 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.797 1.639 . . . . 0.0 111.512 -177.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 86.14 14.27 67.07 Favored Glycine 0 CA--C 1.54 1.628 0 C-N-CA 124.468 1.033 . . . . 0.0 115.609 -177.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 -90.05 -103.56 0.09 Allowed 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 118.897 1.349 . . . . 0.0 111.782 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 60.7 p -154.35 163.78 39.63 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 126.282 1.833 . . . . 0.0 110.633 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 49.6 mt -63.07 -37.27 86.54 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.497 -0.752 . . . . 0.0 111.723 177.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -59.96 -39.48 85.77 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.703 -0.623 . . . . 0.0 112.115 174.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 74.9 t -70.98 -38.29 71.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 O-C-N 121.252 -0.905 . . . . 0.0 111.378 174.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -60.58 -47.38 86.45 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 119.762 1.165 . . . . 0.0 111.586 172.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -61.85 -38.82 89.67 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.631 1.173 . . . . 0.0 111.764 177.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 58.2 m -62.46 -38.84 91.35 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.186 0.994 . . . . 0.0 111.888 176.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 42.0 t -75.02 -46.2 40.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 O-C-N 121.588 -0.695 . . . . 0.0 111.577 174.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -52.07 -49.13 64.13 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 126.095 1.758 . . . . 0.0 112.171 -177.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -61.26 -35.22 90.59 Favored Glycine 0 N--CA 1.474 1.225 0 C-N-CA 123.466 0.555 . . . . 0.0 113.4 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -78.0 -46.58 20.61 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 121.934 -0.745 . . . . 0.0 111.482 177.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 66.1 t -54.43 -41.64 54.64 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 O-C-N 121.146 -0.971 . . . . 0.0 111.152 173.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 36.1 tttm -58.04 -57.12 14.22 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.483 1.113 . . . . 0.0 111.703 172.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -64.5 -35.82 82.18 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 118.898 -0.572 . . . . 0.0 112.154 -174.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -63.34 -42.24 98.92 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 119.161 0.892 . . . . 0.0 110.1 177.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 10.0 t -64.01 -49.03 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-O 117.564 -1.208 . . . . 0.0 113.449 171.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -58.61 -36.17 73.61 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 121.294 1.861 . . . . 0.0 112.824 177.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.81 -26.01 60.4 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 112.762 0.652 . . . . 0.0 112.762 178.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 53.2 tp -81.34 -49.04 11.18 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 124.894 1.278 . . . . 0.0 111.649 178.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.6 pt -64.66 -27.56 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-N 119.231 0.923 . . . . 0.0 112.488 -175.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.03 -21.83 65.0 Favored 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 174.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -85.02 -40.52 16.77 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.63 1.172 . . . . 0.0 113.169 176.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.282 1.9 pp -108.35 4.82 9.56 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 N-CA-C 116.224 1.935 . . . . 0.0 116.224 -169.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 C--O 1.253 1.238 0 C-N-CA 124.415 1.086 . . . . 0.0 111.841 169.752 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.454 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 56.6 ttm . . . . . 0 N--CA 1.488 1.473 0 CA-C-O 119.852 -0.118 . . . . 0.0 111.29 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -129.6 167.49 17.87 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 125.928 1.691 . . . . 0.0 110.874 169.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -107.82 139.1 42.92 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.978 1.311 . . . . 0.0 111.106 -174.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.9 t -123.65 139.74 49.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 124.584 1.153 . . . . 0.0 109.719 177.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.5 tpp -133.25 133.89 43.24 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 123.886 0.875 . . . . 0.0 110.32 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -107.8 130.93 54.94 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 124.164 0.986 . . . . 0.0 110.866 -175.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.4 t -110.37 128.98 66.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 126.887 2.075 . . . . 0.0 109.448 172.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 32.4 t -130.2 168.05 17.45 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.099 0.96 . . . . 0.0 110.749 170.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.65 -30.05 67.67 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -169.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.315 0.1 OUTLIER -135.33 15.77 3.45 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 115.852 1.797 . . . . 0.0 115.852 169.887 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 49.31 37.75 12.21 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 127.558 2.343 . . . . 0.0 115.466 -177.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.3 p -99.83 -36.8 9.31 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 -171.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.5 p -135.03 -74.93 0.46 Allowed 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -169.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.2 mtt85 -56.78 -48.12 78.6 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 -169.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.1 p -66.98 -32.63 73.99 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.798 0.839 . . . . 0.0 112.303 178.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -72.17 -40.23 68.1 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.262 0.625 . . . . 0.0 111.014 178.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 43.3 mtt -63.51 -38.88 92.83 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.719 0.808 . . . . 0.0 111.958 170.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.19 -44.06 89.62 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.33 0.652 . . . . 0.0 111.37 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -61.86 -41.61 98.05 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 118.814 -0.612 . . . . 0.0 111.396 169.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.99 -48.71 71.45 Favored Glycine 0 N--CA 1.471 0.98 0 C-N-CA 124.421 1.01 . . . . 0.0 113.968 176.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -69.91 -44.58 69.37 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 118.634 1.217 . . . . 0.0 111.593 175.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.4 -40.54 89.68 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -177.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -67.24 -25.06 65.9 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-N 119.61 1.096 . . . . 0.0 113.112 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.4 m -86.27 -57.89 2.84 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.692 1.597 . . . . 0.0 112.613 175.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 75.5 mt -80.94 -25.66 37.25 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.201 1.4 . . . . 0.0 112.432 -172.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -99.6 6.43 59.01 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 126.568 2.033 . . . . 0.0 114.542 177.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.47 114.16 1.16 Allowed 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 119.741 1.77 . . . . 0.0 112.543 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.0 -13.5 56.6 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 124.538 1.066 . . . . 0.0 114.615 -178.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 1' ' ' MET . 25.8 mtpt -89.19 -38.99 13.86 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.68 1.592 . . . . 0.0 110.987 169.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 pp -140.59 173.35 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 124.687 1.195 . . . . 0.0 113.616 -176.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -129.26 141.15 51.2 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.427 1.491 . . . . 0.0 108.122 168.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -138.12 151.04 24.84 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 -169.35 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.5 m -140.08 144.77 36.99 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.269 1.428 . . . . 0.0 110.232 177.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.0 t -111.06 136.03 50.68 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.932 1.693 . . . . 0.0 111.894 172.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 14.3 p -149.76 -179.48 7.15 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.572 1.549 . . . . 0.0 112.082 176.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -149.2 167.04 29.53 Favored Glycine 0 N--CA 1.466 0.68 0 O-C-N 119.914 -1.741 . . . . 0.0 112.358 169.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.413 HD21 ' H ' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -64.45 -13.18 50.26 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 118.695 1.247 . . . . 0.0 113.392 175.51 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -153.56 159.47 42.19 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 127.807 2.443 . . . . 0.0 108.167 168.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.9 p -113.38 143.65 44.1 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.694 1.198 . . . . 0.0 112.256 -177.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 35.2 t -128.53 -101.47 0.33 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.618 1.167 . . . . 0.0 110.548 170.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.67 158.3 44.05 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 125.536 1.534 . . . . 0.0 110.892 170.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.2 t -61.42 130.17 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 CA-C-N 119.322 0.964 . . . . 0.0 108.937 170.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -66.87 124.33 88.37 Favored Pre-proline 0 CA--C 1.531 0.219 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 175.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -68.58 -25.68 34.49 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 CA-C-N 120.233 1.119 . . . . 0.0 112.092 -169.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.9 m -69.76 -29.3 66.61 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.134 -0.979 . . . . 0.0 111.853 172.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.33 -45.61 92.84 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 120.611 -1.306 . . . . 0.0 111.717 173.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.2 mt -58.87 -45.94 91.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 123.471 0.708 . . . . 0.0 110.19 174.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.25 -37.28 79.92 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 178.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 9.9 mmt -75.83 -27.31 57.82 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.496 1.119 . . . . 0.0 112.164 179.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 85.3 mmm -76.49 -30.64 57.33 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.123 0.874 . . . . 0.0 111.531 169.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -67.63 -24.53 65.47 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.085 -1.01 . . . . 0.0 112.971 174.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -61.54 -31.56 71.58 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 119.647 1.112 . . . . 0.0 112.905 173.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.8 m -97.34 9.77 6.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.174 1.389 . . . . 0.0 112.403 176.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.02 20.97 80.18 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 125.032 1.301 . . . . 0.0 114.936 177.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 68.7 mt -105.95 135.38 44.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 125.127 1.371 . . . . 0.0 110.074 -177.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -103.2 119.77 39.48 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.68 0.792 . . . . 0.0 112.536 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.6 pt -122.14 12.35 5.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 125.031 1.332 . . . . 0.0 112.583 169.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.3 t -66.66 -27.24 67.51 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 120.677 -1.265 . . . . 0.0 112.782 -176.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -75.91 0.47 62.05 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 124.784 1.183 . . . . 0.0 115.329 173.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -91.01 154.77 19.19 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 119.403 1.601 . . . . 0.0 110.848 175.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 28.2 p -146.87 152.37 38.6 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 128.806 2.842 . . . . 0.0 105.324 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.1 m -78.28 140.36 38.84 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.213 -0.93 . . . . 0.0 113.138 -170.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -138.11 145.68 48.69 Favored Pre-proline 0 N--CA 1.482 1.138 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -90.21 150.17 4.6 Favored 'Trans proline' 0 CA--C 1.541 0.838 0 C-N-CA 123.808 3.005 . . . . 0.0 114.05 -172.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.7 tt -58.11 -36.25 56.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 126.438 1.895 . . . . 0.0 112.003 -178.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -62.62 -21.86 65.97 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 114.363 1.245 . . . . 0.0 114.363 -177.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.89 -13.11 42.84 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 113.758 1.022 . . . . 0.0 113.758 176.566 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -99.4 172.34 7.39 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.219 1.407 . . . . 0.0 113.579 -170.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -123.12 89.7 3.16 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.098 1.359 . . . . 0.0 113.215 -169.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.11 -33.93 28.41 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -178.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -60.83 -24.31 65.77 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.109 1.364 . . . . 0.0 114.338 -177.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -100.67 7.73 43.76 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.717 0.807 . . . . 0.0 113.058 178.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -111.31 98.59 7.6 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 124.154 0.982 . . . . 0.0 108.747 174.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -54.49 -32.28 57.6 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.686 -0.634 . . . . 0.0 111.786 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 42.2 t -127.24 137.09 58.82 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 C-N-CA 124.801 1.24 . . . . 0.0 111.073 174.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.6 t -120.82 138.78 50.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 123.977 0.911 . . . . 0.0 109.848 170.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 29.1 mm -124.95 132.83 70.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 124.619 1.168 . . . . 0.0 109.263 -177.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.3 t -101.14 141.33 34.18 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.688 0.795 . . . . 0.0 109.879 169.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 mp -135.6 44.34 2.53 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 125.732 1.613 . . . . 0.0 109.369 -177.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 56.8 m -110.01 -18.56 13.33 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 115.2 1.555 . . . . 0.0 115.2 -169.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 81.88 -154.3 33.75 Favored Glycine 0 CA--C 1.537 1.464 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 -169.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 26.0 p -65.61 160.64 22.12 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 176.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 84.91 6.41 85.17 Favored Glycine 0 CA--C 1.537 1.444 0 N-CA-C 116.014 1.165 . . . . 0.0 116.014 174.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 59.7 t -133.24 126.22 52.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 125.139 1.376 . . . . 0.0 110.314 -178.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -132.82 -6.7 3.16 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 115.429 1.641 . . . . 0.0 115.429 -175.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.2 mt 42.92 65.75 5.05 Favored Pre-proline 0 N--CA 1.483 1.203 0 C-N-CA 126.103 1.761 . . . . 0.0 114.682 -177.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -51.04 -28.65 25.27 Favored 'Trans proline' 0 CA--C 1.554 1.482 0 C-N-CA 123.677 2.918 . . . . 0.0 119.058 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -76.67 -160.84 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 C-N-CA 122.604 2.203 . . . . 0.0 114.679 -176.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -58.97 -8.07 1.28 Allowed 'General case' 0 N--CA 1.477 0.918 0 O-C-N 120.155 -1.591 . . . . 0.0 115.115 175.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 90.6 m95 -59.24 -15.14 13.66 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.549 1.54 . . . . 0.0 114.654 171.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 32.9 m -118.3 4.22 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 124.518 1.127 . . . . 0.0 113.929 174.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 41.7 p -98.62 7.8 45.68 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.71 1.204 . . . . 0.0 113.133 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -77.12 -175.05 3.44 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 124.901 1.28 . . . . 0.0 111.174 176.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -65.24 -39.05 92.17 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 120.48 -1.388 . . . . 0.0 112.237 -171.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 49.4 mt -140.96 137.75 34.46 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 C-N-CA 125.403 1.481 . . . . 0.0 109.004 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -128.6 135.66 49.65 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.174 0.99 . . . . 0.0 109.873 168.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -134.41 154.52 51.33 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.425 1.09 . . . . 0.0 111.759 177.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -128.31 99.25 5.36 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.644 1.178 . . . . 0.0 110.794 177.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 37.9 m0 -89.47 81.21 6.59 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 125.522 1.529 . . . . 0.0 110.377 -176.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -72.43 115.67 11.97 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 122.971 0.508 . . . . 0.0 110.321 179.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 95.2 mt -135.67 166.58 22.91 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.176 1.79 . . . . 0.0 110.154 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -69.81 176.23 3.78 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.684 0.794 . . . . 0.0 112.197 177.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -117.64 97.88 51.18 Favored Pre-proline 0 CA--C 1.545 0.771 0 C-N-CA 124.463 1.105 . . . . 0.0 112.018 -169.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -70.59 -14.99 33.94 Favored 'Trans proline' 0 C--N 1.357 1.017 0 C-N-CA 123.785 2.99 . . . . 0.0 116.612 -171.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -55.11 106.99 0.26 Allowed 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.453 1.501 . . . . 0.0 111.846 -178.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 78.91 14.57 81.86 Favored Glycine 0 CA--C 1.539 1.57 0 N-CA-C 115.203 0.841 . . . . 0.0 115.203 -178.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -90.09 -99.93 0.1 Allowed 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 118.589 1.195 . . . . 0.0 111.049 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.7 t -157.12 166.03 34.4 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 125.707 1.603 . . . . 0.0 110.066 172.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 42.9 mt -59.62 -39.19 83.47 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 124.207 1.003 . . . . 0.0 112.37 178.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -59.04 -35.17 72.85 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.61 -0.681 . . . . 0.0 112.339 174.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 92.5 t -73.73 -38.94 52.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 O-C-N 121.413 -0.804 . . . . 0.0 111.081 175.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -60.39 -46.66 89.2 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 118.705 0.684 . . . . 0.0 111.598 171.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -60.98 -39.34 89.24 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.61 1.164 . . . . 0.0 111.815 176.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 58.8 m -64.29 -39.59 94.23 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.283 1.033 . . . . 0.0 112.118 177.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 53.2 t -72.22 -47.09 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 O-C-N 121.411 -0.805 . . . . 0.0 111.387 172.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -49.96 -49.71 49.28 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 126.473 1.909 . . . . 0.0 112.712 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -62.66 -34.59 90.05 Favored Glycine 0 N--CA 1.476 1.329 0 C-N-CA 123.716 0.674 . . . . 0.0 113.523 -179.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -78.0 -43.38 29.68 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 121.915 -0.756 . . . . 0.0 111.635 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 58.0 t -56.22 -43.0 75.22 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 O-C-N 121.014 -1.054 . . . . 0.0 111.218 170.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -57.87 -54.86 42.18 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.206 1.002 . . . . 0.0 111.654 174.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -65.41 -35.09 79.9 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -174.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 -64.62 -43.76 92.69 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 119.338 0.972 . . . . 0.0 111.065 173.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 20.5 t -58.81 -50.0 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-N 119.497 1.044 . . . . 0.0 113.208 171.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -61.06 -34.92 75.66 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 120.376 1.444 . . . . 0.0 112.417 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.91 -26.79 61.54 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 176.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 52.9 tp -82.82 -45.19 14.61 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.551 1.141 . . . . 0.0 111.956 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 9.6 pt -64.08 -28.89 45.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 O-C-N 120.759 -1.213 . . . . 0.0 112.718 -178.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.08 -21.8 64.04 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 173.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -85.58 -45.7 11.5 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.252 1.421 . . . . 0.0 112.875 175.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.329 1.8 pp -103.12 3.6 10.66 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 N-CA-C 116.375 1.991 . . . . 0.0 116.375 -171.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 42.7 t . . . . . 0 C--O 1.257 1.49 0 CA-C-N 119.94 1.246 . . . . 0.0 111.416 169.464 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.458 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 55.9 ttm . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 111.559 0.207 . . . . 0.0 111.559 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -128.82 165.52 20.83 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 126.121 1.768 . . . . 0.0 110.499 169.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -106.93 139.72 40.88 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.898 1.279 . . . . 0.0 110.886 -176.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.7 t -123.34 140.81 45.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 124.442 1.097 . . . . 0.0 109.941 177.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.1 tpp -133.65 133.95 42.57 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 124.001 0.921 . . . . 0.0 110.174 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -106.4 134.29 49.77 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.083 0.953 . . . . 0.0 111.049 -176.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.4 t -113.43 126.29 70.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 126.695 1.998 . . . . 0.0 109.949 173.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.6 t -122.67 170.78 9.7 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.772 1.629 . . . . 0.0 109.608 170.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.61 -46.44 66.26 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 120.614 -1.304 . . . . 0.0 112.324 -174.161 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.318 0.3 OUTLIER -121.33 8.7 10.26 Favored 'General case' 0 N--CA 1.499 1.98 0 N-CA-C 116.494 2.035 . . . . 0.0 116.494 173.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 54.33 30.47 12.64 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 127.047 2.139 . . . . 0.0 115.662 178.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.3 p -94.81 -45.62 7.24 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.166 1.386 . . . . 0.0 112.781 -178.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.0 t -127.25 -174.24 3.11 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.596 1.958 . . . . 0.0 109.927 177.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 59.65 -75.88 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 126.66 1.984 . . . . 0.0 114.376 -175.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.9 p -63.06 -33.74 76.09 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 125.076 1.351 . . . . 0.0 112.84 -175.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 -69.14 -36.09 77.07 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 121.674 -0.641 . . . . 0.0 111.625 177.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 56.5 mtt -69.28 -36.64 77.27 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.528 0.731 . . . . 0.0 111.37 171.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.51 -43.06 95.26 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.397 0.679 . . . . 0.0 111.278 179.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -62.94 -41.94 99.65 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 118.783 -0.627 . . . . 0.0 111.123 169.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.05 -47.87 77.54 Favored Glycine 0 N--CA 1.473 1.124 0 C-N-CA 124.337 0.97 . . . . 0.0 114.375 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -69.82 -45.49 67.74 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.206 -1.173 . . . . 0.0 111.697 175.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.75 -41.0 92.66 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 -177.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -67.03 -25.04 66.08 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 119.429 1.013 . . . . 0.0 113.34 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.7 m -86.63 -56.95 3.18 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.304 1.441 . . . . 0.0 112.59 175.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 74.6 mt -81.66 -27.45 34.05 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.943 1.297 . . . . 0.0 112.199 -171.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -97.74 7.08 62.96 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 126.183 1.849 . . . . 0.0 114.469 176.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.64 114.65 1.32 Allowed 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 119.903 1.852 . . . . 0.0 112.343 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.08 -14.44 57.29 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.563 1.078 . . . . 0.0 114.496 -178.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.458 ' O ' ' HA ' ' A' ' 1' ' ' MET . 10.9 mtpt -89.46 -38.58 13.95 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.02 1.328 . . . . 0.0 111.245 169.562 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 pp -140.46 173.29 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 124.414 1.085 . . . . 0.0 113.768 -175.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.12 142.07 50.63 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.32 1.448 . . . . 0.0 108.41 168.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -139.27 151.34 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 -169.217 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.9 m -140.76 145.76 36.82 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.516 1.527 . . . . 0.0 110.26 178.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.4 t -112.41 136.37 51.97 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.939 1.696 . . . . 0.0 111.91 172.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 14.0 p -150.24 -178.36 6.47 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.527 1.531 . . . . 0.0 112.323 176.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -152.78 167.12 31.54 Favored Glycine 0 N--CA 1.467 0.733 0 O-C-N 120.188 -1.57 . . . . 0.0 113.095 169.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.74 -17.78 63.36 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 118.168 0.984 . . . . 0.0 112.691 172.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -139.49 163.43 32.55 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 127.118 2.167 . . . . 0.0 108.275 168.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.7 p -140.32 129.02 23.04 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.742 0.817 . . . . 0.0 111.949 -178.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 35.8 t -117.35 -89.15 0.59 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.196 0.999 . . . . 0.0 111.637 177.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.76 155.49 33.15 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.932 2.093 . . . . 0.0 109.746 174.524 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.6 t -60.67 132.82 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 CA-C-N 119.804 1.184 . . . . 0.0 109.048 172.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -66.69 123.91 87.09 Favored Pre-proline 0 C--O 1.233 0.215 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 175.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -68.41 -26.0 35.23 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 CA-C-N 120.361 1.165 . . . . 0.0 111.85 -169.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.0 m -70.04 -28.81 65.77 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.243 -0.91 . . . . 0.0 111.749 173.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.47 -45.72 93.04 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 120.542 -1.349 . . . . 0.0 111.672 173.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.3 mt -57.28 -47.21 84.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 123.356 0.663 . . . . 0.0 110.161 172.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.58 -35.08 75.21 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 10.4 mmt -76.52 -33.88 58.58 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.258 1.023 . . . . 0.0 111.814 178.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 87.3 mmm -68.41 -29.95 68.74 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.334 -0.854 . . . . 0.0 111.97 170.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -68.1 -19.89 64.89 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 121.17 -0.957 . . . . 0.0 113.081 173.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -62.42 -29.07 70.23 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 119.965 1.257 . . . . 0.0 112.823 173.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 31.2 m -103.13 11.24 8.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 125.278 1.431 . . . . 0.0 112.493 176.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.43 18.33 76.86 Favored Glycine 0 CA--C 1.538 1.52 0 C-N-CA 124.723 1.154 . . . . 0.0 115.004 178.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 62.6 mt -98.71 136.22 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 125.017 1.327 . . . . 0.0 109.714 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -106.82 123.49 48.23 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.445 0.698 . . . . 0.0 112.012 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 11.2 pt -121.87 14.36 5.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.06 1.344 . . . . 0.0 112.716 169.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.0 m -63.59 -27.35 69.19 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 120.761 -1.212 . . . . 0.0 113.345 -174.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -79.25 -0.59 83.64 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 124.925 1.25 . . . . 0.0 115.089 176.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -87.62 154.27 20.73 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 119.219 1.509 . . . . 0.0 110.738 176.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 24.8 p -146.84 152.89 39.46 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 129.068 2.947 . . . . 0.0 105.122 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 36.5 m -78.59 141.8 37.78 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 121.475 -0.766 . . . . 0.0 112.599 -171.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -140.31 146.64 46.56 Favored Pre-proline 0 N--CA 1.478 0.951 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -89.65 147.0 4.96 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.457 2.771 . . . . 0.0 113.472 -171.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.2 tt -55.01 -35.54 35.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 126.555 1.942 . . . . 0.0 111.757 177.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -60.56 -23.76 64.89 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.926 1.291 . . . . 0.0 114.449 -178.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.43 -13.37 35.05 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 178.154 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -97.06 170.88 8.83 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.06 1.344 . . . . 0.0 113.797 -169.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -120.96 88.2 2.89 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.085 1.354 . . . . 0.0 113.034 -169.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.49 -34.26 24.46 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -177.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -60.71 -24.57 65.76 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 -177.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -98.11 5.49 48.56 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 177.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -109.92 99.55 8.66 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.16 0.984 . . . . 0.0 108.495 175.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -54.41 -33.08 58.68 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.674 -0.641 . . . . 0.0 111.945 178.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 40.4 t -126.16 137.23 58.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 C-N-CA 124.775 1.23 . . . . 0.0 111.128 173.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 49.7 t -120.67 138.38 51.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.016 0.926 . . . . 0.0 109.48 169.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 28.5 mm -126.29 124.73 66.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 124.224 1.01 . . . . 0.0 109.248 -177.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.6 t -93.01 143.83 25.85 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 168.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.9 mp -131.47 32.53 4.17 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 125.363 1.465 . . . . 0.0 109.695 175.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 58.7 m -93.34 -56.15 3.04 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 -169.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 134.92 -179.88 17.19 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 125.153 1.358 . . . . 0.0 112.06 -169.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 66.4 m -63.03 -22.14 66.65 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 115.298 1.592 . . . . 0.0 115.298 -173.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -73.41 -0.42 53.41 Favored Glycine 0 CA--C 1.539 1.569 0 N-CA-C 115.647 1.019 . . . . 0.0 115.647 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 43.2 t -129.68 129.38 66.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 125.304 1.441 . . . . 0.0 111.258 -170.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -131.52 -6.24 3.71 Favored 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 115.405 1.632 . . . . 0.0 115.405 -176.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 61.7 mt 42.45 65.58 4.96 Favored Pre-proline 0 N--CA 1.484 1.255 0 C-N-CA 125.993 1.717 . . . . 0.0 114.863 -176.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -50.27 -28.88 21.53 Favored 'Trans proline' 0 CA--C 1.553 1.427 0 C-N-CA 123.627 2.885 . . . . 0.0 119.202 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -76.37 -160.58 0.11 Allowed 'Trans proline' 0 CA--C 1.546 1.124 0 C-N-CA 122.637 2.225 . . . . 0.0 114.674 -177.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -59.22 -8.0 1.44 Allowed 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 115.163 1.542 . . . . 0.0 115.163 175.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -59.3 -15.49 16.24 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.844 1.658 . . . . 0.0 114.671 171.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.1 m -117.93 3.26 7.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 174.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 40.9 p -97.78 7.99 45.46 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.384 1.074 . . . . 0.0 113.307 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -76.72 -174.56 3.05 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.684 1.194 . . . . 0.0 111.397 176.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -65.48 -38.99 91.4 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 120.57 -1.331 . . . . 0.0 112.089 -171.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 44.5 mt -141.69 137.03 31.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 125.408 1.483 . . . . 0.0 109.003 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -128.75 134.47 48.43 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.251 1.02 . . . . 0.0 109.772 169.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -133.48 156.45 47.72 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.63 1.172 . . . . 0.0 111.709 177.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -129.68 93.65 3.57 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.519 1.128 . . . . 0.0 110.977 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 32.8 m0 -90.56 77.11 6.48 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.822 1.649 . . . . 0.0 110.924 -176.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -68.36 130.3 42.47 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 121.722 -0.611 . . . . 0.0 110.868 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 57.7 mt -141.46 170.73 15.17 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.109 1.764 . . . . 0.0 110.094 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -72.64 177.65 4.6 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.779 0.832 . . . . 0.0 112.307 173.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -116.07 99.3 52.51 Favored Pre-proline 0 CA--C 1.542 0.649 0 O-C-N 120.755 -1.216 . . . . 0.0 112.034 -175.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -67.28 -15.47 46.0 Favored 'Trans proline' 0 C--N 1.354 0.858 0 C-N-CA 124.003 3.135 . . . . 0.0 116.346 -176.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -54.76 107.53 0.3 Allowed 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.778 1.231 . . . . 0.0 111.965 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 79.96 15.18 79.57 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 124.167 0.889 . . . . 0.0 115.058 -178.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -93.17 -99.77 0.13 Allowed 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 118.536 1.168 . . . . 0.0 111.771 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 59.7 p -156.99 162.86 39.59 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 126.463 1.905 . . . . 0.0 110.566 178.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 49.3 mt -63.96 -36.49 84.14 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 121.582 -0.699 . . . . 0.0 111.748 177.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -59.06 -38.64 79.88 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.567 -0.708 . . . . 0.0 112.554 172.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.4 t -70.81 -39.18 75.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 O-C-N 121.271 -0.893 . . . . 0.0 111.733 173.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -59.58 -45.66 91.2 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 119.341 0.973 . . . . 0.0 111.762 171.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 80.6 mtt180 -61.79 -39.67 92.54 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.762 1.225 . . . . 0.0 112.026 176.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 69.1 m -63.12 -37.37 86.93 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.419 1.088 . . . . 0.0 111.816 177.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 38.4 t -72.94 -48.88 42.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 O-C-N 121.4 -0.812 . . . . 0.0 111.323 170.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 60.1 ttp85 -50.83 -48.67 59.77 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.956 1.702 . . . . 0.0 112.571 -178.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -63.31 -36.32 93.25 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 123.503 0.573 . . . . 0.0 113.906 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -77.16 -42.47 37.63 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 118.04 0.92 . . . . 0.0 111.789 178.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 54.2 t -56.99 -41.99 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 O-C-N 121.287 -0.883 . . . . 0.0 111.365 171.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -57.81 -56.77 17.61 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.895 0.878 . . . . 0.0 111.644 173.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -63.46 -36.52 84.01 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -174.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 15.5 mmp_? -63.45 -45.38 91.12 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 118.828 0.74 . . . . 0.0 110.767 175.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 24.1 t -60.35 -48.22 89.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 CA-C-O 117.944 -1.027 . . . . 0.0 113.295 172.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -60.78 -34.96 75.27 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 120.685 1.584 . . . . 0.0 112.161 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.26 -26.61 61.17 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 177.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 57.4 tp -79.75 -49.85 11.44 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 124.567 1.147 . . . . 0.0 112.139 176.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 8.9 pt -63.3 -27.15 42.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 O-C-N 121.196 -0.94 . . . . 0.0 112.322 -177.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.64 -17.92 63.55 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 176.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -103.17 -33.98 9.01 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 115.283 1.586 . . . . 0.0 115.283 175.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.317 2.0 pp -99.46 5.62 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 N-CA-C 115.818 1.784 . . . . 0.0 115.818 179.34 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 61.0 p . . . . . 0 C--O 1.255 1.35 0 CA-C-N 119.8 1.182 . . . . 0.0 113.617 169.899 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.462 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 51.7 ttm . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -129.22 165.83 20.58 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 126.226 1.81 . . . . 0.0 110.496 169.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -107.58 141.37 39.15 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.052 1.341 . . . . 0.0 110.682 -175.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.7 t -125.06 141.23 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 123.983 0.913 . . . . 0.0 110.092 177.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 7.3 tpp -132.87 136.04 45.96 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.094 0.958 . . . . 0.0 110.532 178.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -113.37 110.74 20.82 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.761 1.224 . . . . 0.0 111.495 -174.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.4 t -87.63 145.84 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 126.653 1.981 . . . . 0.0 111.482 171.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.9 t -144.54 -175.96 4.86 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.749 2.019 . . . . 0.0 107.677 168.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -63.45 -66.02 0.6 Allowed 'General case' 0 N--CA 1.487 1.377 0 CA-C-N 121.362 1.892 . . . . 0.0 111.256 173.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.73 2.82 16.2 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 116.121 1.897 . . . . 0.0 116.121 -170.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 53.18 32.51 13.41 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 127.298 2.239 . . . . 0.0 114.542 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.7 p -85.53 -40.54 16.21 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.736 1.214 . . . . 0.0 112.648 -177.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.1 t -137.1 -153.08 0.47 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 127.184 2.194 . . . . 0.0 109.318 178.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 48.49 -88.96 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.877 0 C-N-CA 126.896 2.078 . . . . 0.0 113.454 177.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.8 p -44.84 -38.77 4.79 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 126.788 2.035 . . . . 0.0 114.857 170.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -67.85 -38.95 83.82 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 121.642 -0.661 . . . . 0.0 112.193 175.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 40.5 mtt -65.88 -35.18 79.93 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 121.16 -0.963 . . . . 0.0 111.549 172.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.63 -45.05 88.48 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.721 -0.612 . . . . 0.0 111.635 177.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -62.76 -39.4 94.03 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.843 -0.535 . . . . 0.0 110.737 169.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.85 -45.2 80.87 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 125.765 1.65 . . . . 0.0 114.888 175.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -82.48 -38.57 23.7 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.407 1.603 . . . . 0.0 112.898 175.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.11 -33.43 75.45 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 120.922 -1.111 . . . . 0.0 112.71 -178.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -64.39 -29.61 70.67 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 119.469 1.032 . . . . 0.0 113.214 177.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.6 p -91.55 -54.83 3.73 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.218 1.407 . . . . 0.0 112.841 177.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.0 mt -74.51 -24.36 58.97 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.962 1.305 . . . . 0.0 112.539 -175.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -101.37 6.27 55.65 Favored Glycine 0 CA--C 1.53 0.969 0 C-N-CA 126.254 1.883 . . . . 0.0 114.92 176.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.99 114.02 1.58 Allowed 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 119.876 1.838 . . . . 0.0 112.552 -176.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.5 -12.59 58.53 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.454 1.026 . . . . 0.0 114.338 -178.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 1' ' ' MET . 30.1 mtpt -88.61 -42.26 12.14 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.585 1.554 . . . . 0.0 110.824 169.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.3 pp -139.97 174.0 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.906 1.282 . . . . 0.0 113.237 -174.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -129.08 140.55 51.54 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.178 1.391 . . . . 0.0 108.637 168.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.41 152.25 27.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 -169.341 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.9 m -146.33 152.23 38.78 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.833 1.653 . . . . 0.0 109.455 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 83.8 p -125.42 150.91 46.85 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 120.687 -1.258 . . . . 0.0 111.37 169.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 16.3 p -154.66 -178.42 7.17 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.797 1.239 . . . . 0.0 111.226 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -146.09 163.95 28.32 Favored Glycine 0 C--O 1.224 -0.484 0 O-C-N 120.896 -1.128 . . . . 0.0 112.707 169.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.77 -13.89 56.93 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 118.54 1.17 . . . . 0.0 113.125 176.113 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -141.33 173.55 11.39 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 127.173 2.189 . . . . 0.0 108.82 168.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.3 t -132.71 142.14 48.91 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 121.049 -1.032 . . . . 0.0 111.188 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.7 t -130.39 -96.13 0.37 Allowed 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.409 1.084 . . . . 0.0 111.015 171.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.47 153.96 31.12 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 126.434 1.894 . . . . 0.0 110.577 173.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.1 t -60.04 136.61 23.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-N 118.291 0.496 . . . . 0.0 110.733 169.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -77.73 130.72 72.66 Favored Pre-proline 0 CA--C 1.533 0.306 0 CA-C-O 118.89 -0.576 . . . . 0.0 109.527 178.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -70.69 -26.4 23.23 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 CA-C-N 120.384 1.173 . . . . 0.0 112.117 -169.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 58.4 m -71.93 -24.75 61.68 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.304 -0.872 . . . . 0.0 111.832 174.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.95 -48.15 82.54 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 120.857 -1.152 . . . . 0.0 111.267 172.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.0 mt -59.69 -46.9 92.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 123.601 0.761 . . . . 0.0 110.082 175.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.99 -37.46 79.71 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 12.7 mmt -75.78 -28.78 58.54 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.372 1.069 . . . . 0.0 112.19 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 84.9 mmm -76.05 -30.16 58.29 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 118.882 0.764 . . . . 0.0 111.809 169.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -68.12 -23.37 64.89 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 120.97 -1.081 . . . . 0.0 112.651 174.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -62.29 -29.32 70.35 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 119.785 1.175 . . . . 0.0 112.632 173.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.8 m -101.18 10.51 7.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 125.394 1.478 . . . . 0.0 112.442 176.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.71 22.39 77.18 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 125.092 1.33 . . . . 0.0 115.271 176.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 54.5 mt -108.91 142.3 21.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 125.348 1.459 . . . . 0.0 110.672 -175.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -109.59 122.14 46.78 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.651 1.18 . . . . 0.0 113.238 -178.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.6 pt -126.69 20.7 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.329 1.452 . . . . 0.0 112.204 169.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.2 t -72.7 -30.61 64.36 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 120.817 -1.177 . . . . 0.0 112.79 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.24 7.56 36.89 Favored Glycine 0 CA--C 1.538 1.522 0 C-N-CA 125.21 1.386 . . . . 0.0 115.564 177.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -133.93 148.6 51.21 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.083 1.753 . . . . 0.0 110.226 -179.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.0 t -142.15 -176.4 4.8 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 124.443 1.097 . . . . 0.0 109.387 177.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.8 m -56.23 137.06 52.65 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 124.191 0.997 . . . . 0.0 113.322 177.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -142.64 146.93 40.37 Favored Pre-proline 0 CA--C 1.552 1.024 0 C-N-CA 124.737 1.215 . . . . 0.0 112.743 169.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -87.55 146.65 7.19 Favored 'Trans proline' 0 CA--C 1.542 0.884 0 C-N-CA 123.614 2.876 . . . . 0.0 114.238 -172.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.7 tt -56.91 -35.63 47.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 126.714 2.006 . . . . 0.0 112.233 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -63.5 -22.05 66.67 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -177.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.24 -12.7 45.94 Favored 'General case' 0 CA--C 1.553 1.065 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 175.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -100.32 173.08 6.76 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.086 1.355 . . . . 0.0 113.468 -170.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -128.18 90.03 3.01 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.083 1.353 . . . . 0.0 112.819 -169.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.47 -32.15 57.17 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -179.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -56.85 -24.59 52.48 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.29 1.436 . . . . 0.0 114.133 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -101.23 5.75 42.68 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.565 1.146 . . . . 0.0 113.484 176.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -110.41 97.09 6.62 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.426 1.09 . . . . 0.0 108.834 174.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -53.0 -34.72 57.6 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 121.796 -0.565 . . . . 0.0 111.905 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 47.7 t -121.88 138.18 53.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 C-N-CA 124.593 1.157 . . . . 0.0 111.001 173.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 62.4 t -123.45 135.81 62.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 123.991 0.916 . . . . 0.0 110.06 170.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 22.5 mm -121.15 136.46 58.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 124.615 1.166 . . . . 0.0 108.923 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.7 t -103.0 139.81 38.08 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 123.953 0.901 . . . . 0.0 109.684 169.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.6 mp -131.76 40.71 3.35 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 126.131 1.772 . . . . 0.0 109.886 178.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 75.0 m -89.42 -43.97 10.5 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.697 0.799 . . . . 0.0 113.063 -173.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 83.2 73.1 1.25 Allowed Glycine 0 CA--C 1.534 1.252 0 C-N-CA 123.85 0.738 . . . . 0.0 112.705 -172.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 76.7 m 60.03 174.35 0.09 Allowed 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 126.315 1.846 . . . . 0.0 114.318 -173.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 76.08 3.41 75.26 Favored Glycine 0 CA--C 1.537 1.465 0 N-CA-C 115.531 0.972 . . . . 0.0 115.531 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 59.4 t -141.8 135.04 29.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 126.1 1.76 . . . . 0.0 109.842 -172.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -140.22 1.87 1.84 Allowed 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 115.532 1.678 . . . . 0.0 115.532 175.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 49.2 mt 42.48 65.73 4.85 Favored Pre-proline 0 CA--C 1.556 1.212 0 C-N-CA 126.562 1.945 . . . . 0.0 115.116 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -50.35 -28.88 21.95 Favored 'Trans proline' 0 CA--C 1.554 1.521 0 C-N-CA 123.67 2.913 . . . . 0.0 119.127 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -76.58 -158.89 0.09 OUTLIER 'Trans proline' 0 CA--C 1.549 1.245 0 C-N-CA 122.647 2.232 . . . . 0.0 114.993 -176.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -52.05 -14.73 0.44 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 126.115 1.766 . . . . 0.0 115.122 172.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -59.28 -16.1 19.64 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 126.358 1.863 . . . . 0.0 115.053 174.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 32.9 m -120.66 3.56 6.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 124.602 1.161 . . . . 0.0 114.102 174.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 45.9 p -91.95 1.49 57.15 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.932 0.893 . . . . 0.0 113.331 177.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 76.5 mm-40 -76.53 176.83 7.94 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.096 1.358 . . . . 0.0 112.018 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -64.57 -37.96 89.37 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 121.479 -0.763 . . . . 0.0 112.808 -169.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 36.2 mt -137.06 134.26 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 124.259 1.024 . . . . 0.0 109.996 173.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -126.97 132.91 50.7 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.326 1.05 . . . . 0.0 109.956 168.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -135.82 155.04 50.95 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.479 1.112 . . . . 0.0 112.229 177.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -123.53 95.84 4.74 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.569 1.147 . . . . 0.0 110.676 176.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 44.1 m0 -89.41 83.24 6.38 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.74 1.616 . . . . 0.0 110.269 -177.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -70.75 115.87 10.41 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.862 -0.524 . . . . 0.0 111.177 -175.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 82.4 mt -142.09 149.54 40.01 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 126.473 1.909 . . . . 0.0 108.007 177.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -69.15 155.63 40.06 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.723 0.773 . . . . 0.0 112.076 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -85.27 114.89 58.82 Favored Pre-proline 0 CA--C 1.548 0.899 0 CA-C-O 118.696 -0.669 . . . . 0.0 110.793 178.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -71.95 -11.08 27.09 Favored 'Trans proline' 0 C--N 1.355 0.897 0 C-N-CA 122.933 2.422 . . . . 0.0 116.262 -171.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -50.77 112.15 0.66 Allowed 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.357 1.463 . . . . 0.0 112.166 178.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.98 14.59 78.67 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 124.162 0.887 . . . . 0.0 114.622 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -85.6 -95.74 0.07 Allowed 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 118.527 1.164 . . . . 0.0 110.962 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.2 m -164.87 159.6 18.51 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 127.074 2.15 . . . . 0.0 109.407 175.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 57.1 mt -62.51 -37.71 87.09 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 121.003 -1.061 . . . . 0.0 112.225 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -60.56 -29.88 69.44 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 121.298 -0.876 . . . . 0.0 112.926 173.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 82.4 t -74.94 -41.91 46.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 O-C-N 121.415 -0.803 . . . . 0.0 110.762 173.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -58.55 -45.62 88.54 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.311 0.96 . . . . 0.0 111.214 172.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 -64.41 -39.52 94.0 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.546 1.138 . . . . 0.0 112.259 177.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 40.6 m -63.3 -37.76 88.51 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.143 0.977 . . . . 0.0 111.868 175.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 55.5 t -73.3 -48.55 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 123.756 0.822 . . . . 0.0 110.91 174.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -50.01 -50.14 48.28 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 126.534 1.934 . . . . 0.0 112.563 178.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -62.6 -39.6 98.09 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 123.331 0.491 . . . . 0.0 113.318 -178.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -75.01 -40.93 60.32 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.849 -0.795 . . . . 0.0 111.833 178.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 91.1 t -57.63 -45.22 86.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 O-C-N 121.247 -0.908 . . . . 0.0 111.348 170.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -57.91 -54.65 44.55 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.133 0.973 . . . . 0.0 111.285 175.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -64.34 -37.49 87.68 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 118.541 -0.742 . . . . 0.0 112.211 -175.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 47.7 mtt180 -67.66 -37.46 82.42 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 117.87 -1.062 . . . . 0.0 111.926 175.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 19.2 t -61.31 -49.47 84.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 CA-C-N 119.916 1.235 . . . . 0.0 112.331 169.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -61.43 -36.01 79.18 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 120.425 1.466 . . . . 0.0 112.456 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -71.99 -30.18 64.98 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 177.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 50.8 tp -76.17 -51.71 11.59 Favored 'General case' 0 C--N 1.339 0.109 0 C-N-CA 123.874 0.87 . . . . 0.0 111.507 177.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 6.4 pt -61.09 -33.19 54.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-N 119.223 0.92 . . . . 0.0 111.877 -175.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.82 -21.7 66.84 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 175.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -84.64 -40.22 17.7 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.763 1.225 . . . . 0.0 113.092 174.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.0 pp -108.38 -0.77 9.83 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 N-CA-C 116.44 2.015 . . . . 0.0 116.44 -169.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 41.4 m . . . . . 0 C--O 1.256 1.4 0 C-N-CA 124.155 0.982 . . . . 0.0 112.915 175.426 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.462 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 55.3 ttm . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 111.554 0.205 . . . . 0.0 111.554 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -129.31 162.92 26.84 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 126.275 1.83 . . . . 0.0 110.331 169.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.418 ' HE2' ' O ' ' A' ' 72' ' ' ASP . 1.6 mppt? -107.0 140.4 39.87 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.402 1.081 . . . . 0.0 111.533 -175.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.2 t -120.84 141.44 41.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 124.315 1.046 . . . . 0.0 109.945 178.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.2 tpp -133.58 136.45 44.92 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 123.843 0.857 . . . . 0.0 110.092 177.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -108.47 136.92 47.28 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.538 1.135 . . . . 0.0 111.58 -175.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.3 t -118.44 133.65 64.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 126.533 1.933 . . . . 0.0 110.854 175.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 45.1 t -137.97 178.41 7.14 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 125.153 1.381 . . . . 0.0 111.643 174.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -53.08 -56.85 13.08 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 126.343 1.857 . . . . 0.0 113.698 -176.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -133.59 14.33 4.07 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 125.481 1.512 . . . . 0.0 114.52 -178.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.255 7.8 t-20 51.35 38.9 22.9 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 127.467 2.307 . . . . 0.0 114.686 -174.382 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.5 p -91.59 -43.23 9.77 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.235 1.414 . . . . 0.0 113.166 177.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.0 t -139.56 -175.71 4.29 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.922 1.689 . . . . 0.0 110.744 -175.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 57.56 -80.18 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 126.968 2.107 . . . . 0.0 112.949 -173.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.2 p -46.19 -46.17 17.27 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 127.271 2.229 . . . . 0.0 113.929 176.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -66.17 -36.7 83.79 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.61 1.164 . . . . 0.0 112.088 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 54.5 mtt -68.82 -35.55 77.11 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.81 0.844 . . . . 0.0 111.78 170.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.26 -40.56 96.23 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.552 0.741 . . . . 0.0 111.59 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -63.8 -39.76 95.02 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 119.091 -0.481 . . . . 0.0 111.267 169.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.38 -49.89 65.92 Favored Glycine 0 CA--C 1.528 0.877 0 C-N-CA 123.96 0.79 . . . . 0.0 114.071 174.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -70.78 -45.36 64.86 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 118.463 1.131 . . . . 0.0 112.127 176.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.97 -39.69 93.86 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -177.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -67.65 -25.32 65.66 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 119.494 1.043 . . . . 0.0 113.266 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.4 m -86.95 -54.24 4.45 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.448 1.499 . . . . 0.0 112.619 177.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 71.8 mt -83.9 -28.91 27.57 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.183 1.393 . . . . 0.0 112.354 -172.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -96.18 6.58 66.32 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 126.37 1.938 . . . . 0.0 114.476 176.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.58 113.44 0.89 Allowed 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 119.679 1.739 . . . . 0.0 112.365 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.72 -15.02 56.93 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.585 1.088 . . . . 0.0 114.341 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 1' ' ' MET . 9.0 mtpt -88.52 -38.19 15.14 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.984 1.313 . . . . 0.0 111.224 169.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 pp -141.4 174.1 7.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 124.313 1.045 . . . . 0.0 113.458 -174.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -132.48 144.96 50.82 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.378 1.471 . . . . 0.0 108.481 168.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -138.42 151.68 24.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 N-CA-C 114.911 1.449 . . . . 0.0 114.911 -169.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.6 m -138.96 149.25 44.53 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.788 1.635 . . . . 0.0 109.406 175.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.3 t -119.36 138.48 53.03 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.246 1.418 . . . . 0.0 111.929 174.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 13.8 p -152.15 -176.45 5.67 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.326 1.451 . . . . 0.0 112.551 177.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -151.49 172.42 30.97 Favored Glycine 0 N--CA 1.469 0.841 0 O-C-N 120.32 -1.487 . . . . 0.0 111.456 171.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.38 -13.5 40.2 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 119.623 1.712 . . . . 0.0 113.457 175.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -153.01 166.15 33.33 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 127.095 2.158 . . . . 0.0 109.866 169.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.8 p -107.67 152.71 23.95 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.087 1.355 . . . . 0.0 111.944 175.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.3 t -139.06 -82.7 0.28 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.141 1.376 . . . . 0.0 110.295 169.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.85 158.28 17.17 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 126.931 2.092 . . . . 0.0 110.068 169.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.6 t -60.42 136.7 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 CA-C-N 120.104 1.32 . . . . 0.0 108.603 169.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -67.9 124.58 89.83 Favored Pre-proline 0 N--CA 1.467 0.377 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 173.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -67.5 -26.23 40.59 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 CA-C-N 120.493 1.212 . . . . 0.0 112.117 -169.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 40.4 m -70.34 -27.96 64.76 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.692 0.797 . . . . 0.0 112.218 173.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.68 -43.46 98.81 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 120.295 -1.503 . . . . 0.0 111.842 175.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.6 mt -60.74 -43.38 95.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 123.518 0.727 . . . . 0.0 110.383 174.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.72 -36.85 84.34 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 177.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 23.3 mmt -74.91 -30.4 61.26 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.247 1.419 . . . . 0.0 112.312 178.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 79.0 mmm -75.52 -30.29 59.75 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 119.071 0.851 . . . . 0.0 111.659 169.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -69.46 -19.85 63.76 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.128 -0.983 . . . . 0.0 113.432 173.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -63.42 -30.67 71.76 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.863 1.21 . . . . 0.0 112.223 171.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 30.9 m -100.88 10.53 7.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 125.524 1.53 . . . . 0.0 112.625 177.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.44 18.57 77.06 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 124.7 1.143 . . . . 0.0 115.281 177.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 60.5 mt -99.51 117.22 44.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 124.602 1.161 . . . . 0.0 109.323 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -86.24 119.01 26.06 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 112.235 0.458 . . . . 0.0 112.235 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.3 pt -121.99 13.91 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 125.185 1.394 . . . . 0.0 112.248 169.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 87.8 p -63.38 -21.9 66.56 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 120.627 -1.296 . . . . 0.0 113.988 -174.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.9 1.53 86.24 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 125.022 1.296 . . . . 0.0 115.474 173.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -76.95 154.54 33.49 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 119.913 1.856 . . . . 0.0 112.035 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 31.8 p -133.03 161.41 34.44 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 127.726 2.411 . . . . 0.0 107.907 169.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.6 p -90.56 141.91 28.29 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.321 -0.862 . . . . 0.0 113.127 175.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -138.79 146.68 51.23 Favored Pre-proline 0 N--CA 1.48 1.047 0 C-N-CA 124.494 1.118 . . . . 0.0 113.785 -177.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -88.65 147.63 6.02 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 124.094 3.196 . . . . 0.0 113.543 -176.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 11.2 tt -58.63 -37.88 67.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 126.737 2.015 . . . . 0.0 112.088 -177.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -68.87 -11.2 60.29 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 -174.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.6 -13.86 36.25 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 171.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -101.15 173.98 6.21 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 114.306 1.224 . . . . 0.0 114.306 -169.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -116.8 86.33 2.48 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.775 2.03 . . . . 0.0 112.263 -171.084 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.36 -33.94 31.82 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 121.308 -0.87 . . . . 0.0 113.021 177.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -56.36 -29.12 60.98 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.861 1.664 . . . . 0.0 114.477 -178.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.418 ' O ' ' HE2' ' A' ' 3' ' ' LYS . 34.1 t70 -84.59 -28.15 26.75 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 176.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -82.93 92.55 7.34 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.033 0.933 . . . . 0.0 109.689 -173.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -47.08 -35.77 7.37 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.786 1.234 . . . . 0.0 111.8 177.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 46.4 t -126.08 136.46 60.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 C-N-CA 124.247 1.019 . . . . 0.0 111.27 173.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.2 t -120.03 138.31 51.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 123.852 0.861 . . . . 0.0 109.415 169.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 31.8 mm -124.45 127.56 73.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 124.605 1.162 . . . . 0.0 109.109 -178.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.0 t -96.64 140.97 30.46 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.194 0.521 . . . . 0.0 109.624 169.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 mp -131.34 42.31 3.22 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.688 1.595 . . . . 0.0 108.528 178.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 26.4 p -78.9 -37.45 39.95 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 -169.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.61 44.39 9.41 Favored Glycine 0 CA--C 1.536 1.355 0 CA-C-N 118.251 0.478 . . . . 0.0 112.068 -169.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 4.1 t 63.94 177.95 0.17 Allowed 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 126.074 1.75 . . . . 0.0 112.944 -169.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 79.43 1.09 85.72 Favored Glycine 0 CA--C 1.538 1.492 0 O-C-N 120.863 -1.148 . . . . 0.0 115.458 -177.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 32.0 t -141.89 132.15 24.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 126.14 1.776 . . . . 0.0 109.362 -177.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -128.89 -5.83 5.05 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 -176.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 44.8 mt 44.22 65.17 6.26 Favored Pre-proline 0 CA--C 1.557 1.228 0 C-N-CA 126.025 1.73 . . . . 0.0 114.962 -177.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -51.43 -30.07 33.42 Favored 'Trans proline' 0 CA--C 1.554 1.477 0 C-N-CA 123.402 2.735 . . . . 0.0 119.043 178.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -77.49 -159.96 0.11 Allowed 'Trans proline' 0 CA--C 1.546 1.118 0 C-N-CA 122.526 2.151 . . . . 0.0 114.83 -175.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -56.55 -9.7 0.8 Allowed 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.793 1.637 . . . . 0.0 115.206 174.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -61.19 -15.39 33.58 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.652 1.581 . . . . 0.0 115.026 173.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 34.1 m -116.87 2.25 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 124.708 1.203 . . . . 0.0 113.678 174.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 40.0 p -95.41 3.53 54.24 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.471 1.109 . . . . 0.0 113.248 178.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -74.89 178.05 5.83 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.784 1.234 . . . . 0.0 112.016 177.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -65.28 -37.33 86.86 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.424 -0.798 . . . . 0.0 112.856 -169.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 26.1 mt -137.0 137.46 46.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 123.511 0.725 . . . . 0.0 110.329 170.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -128.15 131.81 48.94 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.662 1.185 . . . . 0.0 109.681 168.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -133.36 154.93 50.32 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.395 1.078 . . . . 0.0 111.78 176.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -125.15 106.25 9.76 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.776 1.23 . . . . 0.0 110.816 177.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 35.6 m0 -98.18 89.27 4.44 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.559 1.544 . . . . 0.0 110.042 -178.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -79.12 106.12 10.94 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.401 -0.812 . . . . 0.0 110.72 -177.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 52.9 mt -115.98 171.55 7.71 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.665 1.586 . . . . 0.0 111.885 -177.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 32.5 mp0 -61.26 167.28 3.25 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.323 1.849 . . . . 0.0 111.451 171.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -117.86 96.45 49.55 Favored Pre-proline 0 N--CA 1.476 0.854 0 C-N-CA 125.411 1.485 . . . . 0.0 109.966 -177.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -70.56 -14.85 33.93 Favored 'Trans proline' 0 C--N 1.355 0.902 0 C-N-CA 123.778 2.986 . . . . 0.0 118.02 -169.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -59.64 113.52 2.27 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.707 1.14 . . . . 0.0 112.095 -174.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 78.05 14.14 82.61 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 123.998 0.809 . . . . 0.0 114.335 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -89.85 -100.66 0.1 Allowed 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 118.148 0.974 . . . . 0.0 111.388 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 56.2 p -162.52 164.06 27.11 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 126.419 1.888 . . . . 0.0 110.013 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -68.11 -28.29 67.2 Favored 'General case' 0 C--O 1.223 -0.308 0 C-N-CA 122.782 0.433 . . . . 0.0 111.465 -179.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -66.0 -37.42 85.9 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.567 0.747 . . . . 0.0 111.747 171.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 79.4 t -71.85 -37.58 62.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 O-C-N 121.079 -1.013 . . . . 0.0 111.472 174.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -60.77 -47.27 87.09 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.353 0.979 . . . . 0.0 111.422 169.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 58.6 mtp85 -60.55 -37.93 82.85 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.581 1.153 . . . . 0.0 112.029 176.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 51.3 m -61.82 -44.12 97.48 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.512 1.125 . . . . 0.0 111.719 174.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 46.6 t -67.75 -48.1 77.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 O-C-N 121.015 -1.053 . . . . 0.0 111.131 173.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 50.3 ttp180 -53.39 -47.37 69.57 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.336 1.455 . . . . 0.0 112.371 -178.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -62.39 -40.25 98.81 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 123.87 0.747 . . . . 0.0 113.022 179.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -69.67 -47.08 64.52 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.822 -0.81 . . . . 0.0 111.205 176.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 76.2 t -55.43 -46.09 78.48 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 CA-C-N 119.191 0.905 . . . . 0.0 111.397 173.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -56.94 -55.77 30.26 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.974 0.91 . . . . 0.0 111.111 177.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -39.29 94.02 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 118.392 -0.813 . . . . 0.0 111.481 -177.091 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -62.15 -43.53 98.63 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 119.188 0.904 . . . . 0.0 110.887 177.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 23.0 t -61.36 -49.96 82.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 CA-C-O 118.029 -0.986 . . . . 0.0 113.039 171.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -59.43 -36.39 75.8 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 120.707 1.594 . . . . 0.0 112.313 178.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -25.62 61.51 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 178.238 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 56.7 tp -80.66 -51.14 9.04 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.765 1.226 . . . . 0.0 112.032 175.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 9.0 pt -62.75 -27.96 43.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 CA-C-N 119.462 1.028 . . . . 0.0 112.204 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.74 -19.64 64.35 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 176.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -102.29 -32.77 9.88 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 115.34 1.607 . . . . 0.0 115.34 176.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.31 1.8 pp -101.34 5.13 10.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 N-CA-C 116.676 2.102 . . . . 0.0 116.676 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 60.3 p . . . . . 0 C--O 1.253 1.289 0 CA-C-N 119.617 1.099 . . . . 0.0 113.591 170.814 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.486 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 17.8 ttt . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 119.42 -0.324 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -129.82 167.65 17.78 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 125.198 1.399 . . . . 0.0 111.812 172.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -106.84 139.93 40.48 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.639 1.176 . . . . 0.0 111.282 -176.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.1 t -124.91 139.78 50.03 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 124.395 1.078 . . . . 0.0 109.796 178.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 5.3 tpp -132.98 136.19 45.92 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 123.88 0.872 . . . . 0.0 110.211 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -108.48 131.65 54.6 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.306 1.042 . . . . 0.0 111.211 -177.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.6 t -109.11 131.41 59.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 126.541 1.936 . . . . 0.0 109.935 172.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.6 t -128.35 166.84 17.89 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.352 1.461 . . . . 0.0 109.144 169.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -43.62 85.59 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.555 -1.341 . . . . 0.0 112.315 -173.369 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.274 0.2 OUTLIER -123.48 9.34 9.04 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 116.583 2.068 . . . . 0.0 116.583 174.618 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.261 8.0 t-20 49.46 32.27 4.6 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 127.877 2.471 . . . . 0.0 116.26 179.156 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.9 p -88.81 -37.37 15.45 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.044 1.337 . . . . 0.0 113.19 174.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.4 p -139.23 176.97 8.25 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.335 1.854 . . . . 0.0 111.155 -169.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.5 mtt85 55.86 -78.79 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 127.113 2.165 . . . . 0.0 113.79 -172.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 60.7 p -45.63 -45.41 13.87 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 127.415 2.286 . . . . 0.0 113.964 178.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 -65.85 -35.97 82.16 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.636 0.774 . . . . 0.0 112.098 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 6.7 mtp -75.47 -35.5 60.85 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.04 1.336 . . . . 0.0 111.11 174.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.77 -44.36 90.62 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.801 1.24 . . . . 0.0 111.561 174.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -59.76 -40.19 87.36 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 122.729 0.411 . . . . 0.0 111.349 169.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.48 -52.0 54.37 Favored Glycine 0 CA--C 1.531 1.032 0 C-N-CA 125.358 1.456 . . . . 0.0 114.735 176.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -65.09 -43.45 92.06 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 119.334 1.567 . . . . 0.0 110.325 176.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.27 -44.24 79.82 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -174.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -64.99 -24.96 67.67 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 119.556 1.071 . . . . 0.0 113.272 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.2 m -85.45 -57.29 3.13 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.574 1.55 . . . . 0.0 112.449 175.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 69.6 mt -83.15 -31.38 27.21 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.009 1.324 . . . . 0.0 112.355 -170.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -94.19 10.16 71.8 Favored Glycine 0 CA--C 1.529 0.911 0 C-N-CA 126.3 1.905 . . . . 0.0 114.304 175.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.13 112.89 0.8 Allowed 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 119.867 1.834 . . . . 0.0 112.838 -178.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.52 -18.4 14.97 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 125.181 1.372 . . . . 0.0 114.948 -176.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.486 ' O ' ' HA ' ' A' ' 1' ' ' MET . 29.5 mtpp -77.08 -38.47 52.4 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.183 1.393 . . . . 0.0 110.426 169.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.5 pp -144.5 170.21 8.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 125.103 1.361 . . . . 0.0 112.898 -178.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -124.45 143.41 50.65 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.058 1.343 . . . . 0.0 108.432 168.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.09 148.66 24.94 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 N-CA-C 115.227 1.565 . . . . 0.0 115.227 -169.529 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.5 m -139.53 150.64 45.34 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.34 1.456 . . . . 0.0 109.72 178.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.0 t -119.55 139.31 52.34 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.171 1.388 . . . . 0.0 112.014 175.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 14.8 p -153.43 -179.01 7.36 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.384 1.473 . . . . 0.0 112.657 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -154.62 167.05 32.49 Favored Glycine 0 C--O 1.223 -0.57 0 O-C-N 120.137 -1.602 . . . . 0.0 113.22 169.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.43 HD21 ' H ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -66.73 -16.59 64.35 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 118.034 0.917 . . . . 0.0 112.628 174.849 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -140.2 167.17 22.75 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.649 1.979 . . . . 0.0 109.51 169.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.9 p -115.3 153.41 31.0 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.483 1.513 . . . . 0.0 111.765 171.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.6 t -136.51 -90.37 0.27 Allowed 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.634 1.573 . . . . 0.0 109.969 174.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -158.35 151.17 22.44 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 127.893 2.477 . . . . 0.0 109.296 172.075 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.1 t -60.91 129.55 23.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 119.886 1.221 . . . . 0.0 108.73 169.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -70.47 125.54 92.03 Favored Pre-proline 0 CA--C 1.532 0.268 0 CA-C-O 118.961 -0.542 . . . . 0.0 110.166 -176.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -72.69 -25.12 17.64 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 CA-C-N 120.072 1.062 . . . . 0.0 112.246 -170.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 40.6 m -75.65 -28.04 58.61 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.418 -0.802 . . . . 0.0 111.651 176.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.29 -45.45 80.17 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 120.99 -1.069 . . . . 0.0 111.914 173.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.1 mt -58.85 -43.6 88.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 123.953 0.901 . . . . 0.0 110.67 176.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.21 -36.09 82.93 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.698 -0.626 . . . . 0.0 112.592 177.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 4.3 mmt -77.84 -30.42 51.01 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 125.014 1.325 . . . . 0.0 112.197 -179.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 87.1 mmm -74.44 -30.65 61.98 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.929 0.892 . . . . 0.0 111.12 169.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -70.86 -20.53 62.52 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.217 -0.927 . . . . 0.0 113.361 176.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -60.68 -31.86 71.1 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 120.254 1.388 . . . . 0.0 112.345 170.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.1 p -100.85 9.59 8.17 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 C-N-CA 126.428 1.891 . . . . 0.0 111.522 177.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.34 20.91 80.0 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 125.048 1.309 . . . . 0.0 115.155 173.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 77.5 mt -104.05 133.27 48.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 124.9 1.28 . . . . 0.0 110.265 -178.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -101.53 124.35 47.05 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.874 0.87 . . . . 0.0 111.697 178.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 32.5 pt -121.13 11.02 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 125.118 1.367 . . . . 0.0 112.947 170.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 98.6 p -69.07 -19.16 64.07 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 120.563 -1.336 . . . . 0.0 114.166 -175.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -76.62 -2.15 74.28 Favored Glycine 0 CA--C 1.54 1.633 0 C-N-CA 124.805 1.193 . . . . 0.0 114.744 171.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -97.6 159.2 15.07 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.222 1.409 . . . . 0.0 110.938 177.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.6 t -147.78 175.99 10.48 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 125.963 1.705 . . . . 0.0 108.563 170.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.7 p -88.09 130.74 34.92 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -173.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -138.05 143.5 39.8 Favored Pre-proline 0 CA--C 1.55 0.956 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 -173.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -83.86 144.22 10.88 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 123.582 2.855 . . . . 0.0 114.222 -171.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.9 tt -54.56 -33.6 27.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 127.487 2.315 . . . . 0.0 112.146 176.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -57.82 -27.3 63.04 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.429 1.492 . . . . 0.0 114.179 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.54 -13.18 35.11 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 179.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -97.07 171.16 8.65 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.899 1.28 . . . . 0.0 113.354 -170.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -124.53 86.68 2.6 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.2 1.4 . . . . 0.0 112.927 -169.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.53 -32.98 43.24 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -56.79 -25.36 55.31 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.163 1.385 . . . . 0.0 114.15 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -103.28 9.2 38.17 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.157 0.983 . . . . 0.0 113.608 177.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -110.39 97.74 7.12 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.204 1.002 . . . . 0.0 108.608 173.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -52.42 -35.25 51.53 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.469 0.707 . . . . 0.0 112.078 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 48.1 t -124.77 138.16 55.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 C-N-CA 124.719 1.208 . . . . 0.0 110.514 173.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 50.4 t -122.69 138.03 54.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 124.209 1.004 . . . . 0.0 109.893 171.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 24.3 mm -123.74 134.98 64.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 C-N-CA 124.532 1.133 . . . . 0.0 109.522 -178.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.9 t -104.16 138.96 39.89 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.494 0.718 . . . . 0.0 111.108 169.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.9 mp -132.59 45.78 2.71 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.681 1.592 . . . . 0.0 109.481 -177.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 37.8 m -113.4 -14.62 12.75 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 115.599 1.703 . . . . 0.0 115.599 -169.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 80.45 -164.24 47.2 Favored Glycine 0 CA--C 1.539 1.565 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 -168.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 92.1 m -65.37 159.33 24.33 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 121.622 0.725 . . . . 0.0 112.551 173.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 91.76 1.01 71.3 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 124.543 1.068 . . . . 0.0 115.31 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 82.1 t -131.5 129.57 62.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 125.558 1.543 . . . . 0.0 109.577 177.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -138.66 -0.24 1.96 Allowed 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 -178.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.0 mt 42.88 66.31 4.52 Favored Pre-proline 0 CA--C 1.554 1.117 0 C-N-CA 126.422 1.889 . . . . 0.0 115.081 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -50.39 -29.16 23.02 Favored 'Trans proline' 0 CA--C 1.554 1.507 0 C-N-CA 123.72 2.947 . . . . 0.0 119.168 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -76.51 -159.47 0.1 OUTLIER 'Trans proline' 0 CA--C 1.548 1.215 0 C-N-CA 122.778 2.319 . . . . 0.0 115.021 -176.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -52.91 -13.48 0.44 Allowed 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 126.22 1.808 . . . . 0.0 115.145 172.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -59.72 -16.08 24.57 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 126.208 1.803 . . . . 0.0 114.939 173.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 32.8 m -120.32 4.5 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 174.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 44.2 p -93.02 2.71 56.65 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.063 0.945 . . . . 0.0 113.258 176.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 -76.51 177.5 7.37 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.634 1.174 . . . . 0.0 111.921 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -64.69 -39.1 93.08 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 121.345 -0.847 . . . . 0.0 112.824 -169.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 26.5 mt -136.88 137.25 47.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 123.817 0.847 . . . . 0.0 110.243 172.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -126.49 134.61 50.87 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.501 1.12 . . . . 0.0 109.76 168.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -135.13 153.23 52.07 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.285 1.034 . . . . 0.0 111.493 175.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -122.36 119.17 30.28 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.565 0.746 . . . . 0.0 111.798 170.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 43.5 m0 -108.82 86.26 2.25 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.903 1.681 . . . . 0.0 109.858 -174.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -80.24 122.26 26.65 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.617 0.767 . . . . 0.0 110.673 -175.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 75.8 mt -143.42 172.63 12.51 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.66 1.584 . . . . 0.0 111.714 -175.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -56.53 168.52 0.56 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.355 1.462 . . . . 0.0 113.058 172.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -118.07 93.06 43.85 Favored Pre-proline 0 CA--C 1.542 0.658 0 C-N-CA 126.049 1.739 . . . . 0.0 110.522 -177.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -70.07 -14.54 35.24 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.464 2.776 . . . . 0.0 116.598 -169.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -58.94 99.77 0.06 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.809 1.644 . . . . 0.0 111.852 -175.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 86.21 14.92 65.58 Favored Glycine 0 CA--C 1.541 1.707 0 C-N-CA 124.408 1.004 . . . . 0.0 115.366 -176.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -88.91 -103.63 0.09 Allowed 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 118.787 1.293 . . . . 0.0 111.689 178.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 54.9 p -153.6 164.5 38.14 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 126.733 2.013 . . . . 0.0 110.189 177.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.8 mt -62.35 -37.65 86.49 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 122.0 -0.438 . . . . 0.0 112.169 177.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -65.91 -34.32 77.85 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.51 -0.744 . . . . 0.0 111.939 176.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 75.4 t -70.55 -35.8 63.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 O-C-N 120.963 -1.086 . . . . 0.0 111.431 172.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -61.34 -48.42 81.41 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.179 0.899 . . . . 0.0 111.108 170.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 45.4 mtp85 -59.57 -37.77 79.37 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.27 1.428 . . . . 0.0 112.393 177.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 53.5 m -63.69 -41.25 98.16 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.576 1.15 . . . . 0.0 112.036 176.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 75.7 t -72.46 -48.35 47.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 O-C-N 121.513 -0.742 . . . . 0.0 111.529 172.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 53.4 ttp180 -49.09 -51.34 32.25 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 126.511 1.924 . . . . 0.0 112.019 -178.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -61.43 -36.32 92.36 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 123.857 0.741 . . . . 0.0 113.859 -178.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -76.75 -47.15 22.62 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.615 -0.933 . . . . 0.0 111.432 177.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 39.0 t -57.07 -40.15 71.11 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 CA-C-N 119.322 0.964 . . . . 0.0 111.297 173.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 48.1 tttm -58.72 -55.82 30.19 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.545 1.138 . . . . 0.0 111.927 173.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -35.5 81.04 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 118.319 -0.848 . . . . 0.0 111.508 -177.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -61.11 -44.46 97.31 Favored 'General case' 0 C--N 1.34 0.185 0 CA-C-N 119.165 0.893 . . . . 0.0 110.81 175.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 39.2 t -61.29 -50.15 81.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-O 118.129 -0.939 . . . . 0.0 113.21 170.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -59.59 -34.2 72.44 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 120.836 1.653 . . . . 0.0 112.88 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.19 -26.46 60.29 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 176.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 55.5 tp -79.68 -48.76 13.15 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.405 1.082 . . . . 0.0 111.89 176.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 6.1 pt -64.03 -28.22 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 CA-C-N 119.578 1.081 . . . . 0.0 112.613 -176.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.14 -21.08 64.94 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 174.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -87.89 -44.46 11.04 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.214 1.406 . . . . 0.0 113.179 176.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.294 1.7 pp -105.75 4.05 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 N-CA-C 116.541 2.052 . . . . 0.0 116.541 -169.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--O 1.253 1.288 0 C-N-CA 124.023 0.929 . . . . 0.0 111.929 169.768 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.452 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 13.9 ttt . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 119.912 -0.089 . . . . 0.0 111.234 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -130.19 165.32 22.61 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 125.851 1.661 . . . . 0.0 111.239 170.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -105.64 140.95 37.92 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.95 1.3 . . . . 0.0 110.509 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.2 t -123.46 140.19 47.8 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 124.6 1.16 . . . . 0.0 109.751 177.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 4.2 tpp -133.35 135.58 44.83 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 123.763 0.825 . . . . 0.0 109.997 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -108.18 135.19 49.93 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 124.207 1.003 . . . . 0.0 111.504 -176.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.4 t -115.82 123.77 71.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 126.782 2.033 . . . . 0.0 109.495 173.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 48.0 t -122.15 165.25 16.42 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.57 1.148 . . . . 0.0 110.187 169.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -62.47 -40.4 96.54 Favored 'General case' 0 N--CA 1.484 1.255 0 O-C-N 120.675 -1.266 . . . . 0.0 113.308 -169.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.3 0.2 OUTLIER -127.22 12.16 7.06 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 116.135 1.902 . . . . 0.0 116.135 173.797 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 49.35 34.22 6.22 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 127.582 2.353 . . . . 0.0 116.001 -177.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.9 p -92.93 -38.75 11.52 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.776 1.23 . . . . 0.0 112.853 179.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.9 t -139.78 -177.0 4.77 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.793 1.637 . . . . 0.0 110.713 -176.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.5 mtm-85 57.31 -77.75 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 127.312 2.245 . . . . 0.0 114.077 -175.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 59.7 p -45.54 -44.95 13.12 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 126.373 1.869 . . . . 0.0 113.387 175.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -66.91 -38.33 86.03 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.391 1.476 . . . . 0.0 112.051 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 58.5 mtt -68.85 -36.22 77.88 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.276 1.03 . . . . 0.0 112.193 170.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.7 -41.06 98.18 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.447 0.699 . . . . 0.0 111.115 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -63.21 -39.67 95.28 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 122.867 0.467 . . . . 0.0 110.709 169.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.92 -45.89 85.31 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 124.935 1.255 . . . . 0.0 114.318 173.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -73.95 -46.58 43.19 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.121 1.461 . . . . 0.0 112.271 175.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.47 -34.93 79.42 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -176.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -63.34 -32.24 73.6 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 120.388 1.449 . . . . 0.0 113.118 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.0 m -90.21 -51.21 5.56 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 125.473 1.509 . . . . 0.0 112.334 179.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 68.9 mt -78.3 -23.89 46.92 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.12 0.968 . . . . 0.0 112.345 -175.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -104.72 10.29 48.9 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 126.915 2.198 . . . . 0.0 114.553 176.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.17 110.97 0.49 Allowed 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 119.78 1.79 . . . . 0.0 112.531 -177.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.99 -21.49 7.86 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.949 1.261 . . . . 0.0 114.435 -178.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 1' ' ' MET . 36.8 mtpt -73.61 -39.45 64.56 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.951 1.301 . . . . 0.0 110.928 169.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.5 pp -143.83 172.8 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 125.064 1.346 . . . . 0.0 112.808 -177.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.04 145.25 51.05 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.973 1.309 . . . . 0.0 108.922 168.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.13 149.55 24.69 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 N-CA-C 115.056 1.502 . . . . 0.0 115.056 -169.39 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.2 m -140.02 148.73 42.27 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.736 1.615 . . . . 0.0 109.924 178.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.8 t -119.32 139.35 52.08 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.254 1.422 . . . . 0.0 112.041 174.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 14.0 p -153.34 -177.5 6.37 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.635 1.574 . . . . 0.0 112.664 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -151.0 164.37 29.99 Favored Glycine 0 N--CA 1.467 0.72 0 O-C-N 120.48 -1.388 . . . . 0.0 112.13 170.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.46 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.7 OUTLIER -63.83 -15.28 58.43 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 118.725 1.263 . . . . 0.0 113.254 176.442 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -150.39 165.1 34.13 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 127.508 2.323 . . . . 0.0 108.366 168.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.7 t -121.81 150.0 42.52 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.193 0.997 . . . . 0.0 112.832 -170.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 87.8 p -137.39 -98.91 0.2 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.137 1.375 . . . . 0.0 111.772 173.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.68 152.13 26.72 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 127.892 2.477 . . . . 0.0 109.718 174.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.8 t -59.11 133.01 24.47 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 CA-C-N 119.737 1.153 . . . . 0.0 109.157 171.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -66.34 124.66 88.69 Favored Pre-proline 0 CA--C 1.531 0.243 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 174.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -67.63 -26.83 39.28 Favored 'Trans proline' 0 CA--C 1.539 0.764 0 CA-C-N 120.569 1.239 . . . . 0.0 111.884 -169.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 35.5 m -69.01 -28.81 66.93 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.458 -0.777 . . . . 0.0 112.168 173.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.46 -46.44 90.05 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 120.179 1.354 . . . . 0.0 111.462 174.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.1 mt -59.3 -45.95 92.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 123.787 0.835 . . . . 0.0 110.038 174.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.46 -35.52 77.86 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 178.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 10.7 mmt -75.62 -28.37 58.82 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.57 1.148 . . . . 0.0 112.089 178.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 81.9 mmm -74.49 -33.28 62.8 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.223 0.92 . . . . 0.0 111.372 169.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -65.63 -21.97 66.61 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 112.943 0.719 . . . . 0.0 112.943 175.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -64.02 -26.44 68.57 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 119.867 1.212 . . . . 0.0 112.609 170.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.0 t -86.94 -6.87 10.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.383 1.473 . . . . 0.0 111.338 175.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.38 16.18 77.27 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 124.382 0.992 . . . . 0.0 113.292 -169.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 54.2 mt -96.02 132.48 40.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 125.417 1.487 . . . . 0.0 109.515 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -100.11 123.04 43.88 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 -175.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.7 pt -130.25 13.89 2.24 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 C-N-CA 125.09 1.356 . . . . 0.0 113.612 169.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 52.5 p -63.82 -24.09 67.61 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 120.306 -1.496 . . . . 0.0 114.048 -172.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -78.92 0.59 77.77 Favored Glycine 0 CA--C 1.539 1.575 0 C-N-CA 125.098 1.332 . . . . 0.0 115.471 174.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -74.38 158.81 33.28 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 119.758 1.779 . . . . 0.0 111.693 176.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 26.5 p -144.75 163.23 34.65 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 128.998 2.919 . . . . 0.0 105.472 173.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.0 m -85.69 144.87 27.57 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 121.414 -0.804 . . . . 0.0 112.055 176.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -141.48 145.64 38.61 Favored Pre-proline 0 CA--C 1.552 1.023 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 177.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -86.69 149.05 8.58 Favored 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 124.026 3.151 . . . . 0.0 113.891 -175.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.1 tt -58.08 -35.45 52.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 126.563 1.945 . . . . 0.0 112.221 -178.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -63.92 -23.22 67.26 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 -175.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -85.14 -13.32 50.52 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 176.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -100.8 172.42 7.07 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.337 1.455 . . . . 0.0 113.693 -169.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -126.34 88.82 2.9 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.095 1.358 . . . . 0.0 113.169 -169.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.91 -32.24 52.8 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -57.05 -24.03 50.9 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.192 1.397 . . . . 0.0 113.941 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -107.79 12.01 27.7 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.148 0.979 . . . . 0.0 113.562 176.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -111.19 97.0 6.47 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 169.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -53.23 -34.03 55.39 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 122.909 0.483 . . . . 0.0 112.193 -177.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 44.7 t -122.54 137.73 55.07 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 C-N-CA 124.476 1.111 . . . . 0.0 110.693 171.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 45.6 t -120.84 138.56 50.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 123.988 0.915 . . . . 0.0 109.704 169.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 30.6 mm -125.1 130.36 73.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 124.583 1.153 . . . . 0.0 109.203 -177.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.7 t -99.01 144.47 28.12 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 123.686 0.795 . . . . 0.0 109.594 168.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 mp -137.17 44.28 2.3 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.932 1.693 . . . . 0.0 108.82 -178.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 60.6 m -110.77 -21.14 12.22 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 115.712 1.745 . . . . 0.0 115.712 -169.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 76.73 -157.41 47.36 Favored Glycine 0 CA--C 1.537 1.417 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -169.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 74.1 m -60.34 152.16 25.94 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 123.605 0.762 . . . . 0.0 112.73 175.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.89 -0.81 62.87 Favored Glycine 0 CA--C 1.538 1.492 0 N-CA-C 116.201 1.24 . . . . 0.0 116.201 177.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 57.3 t -134.63 127.8 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 CA-C-N 118.851 1.326 . . . . 0.0 110.725 -178.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -133.01 -6.14 3.09 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 115.327 1.603 . . . . 0.0 115.327 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 45.0 mt 44.7 59.63 13.48 Favored Pre-proline 0 CA--C 1.556 1.178 0 C-N-CA 126.074 1.75 . . . . 0.0 115.242 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -58.1 -17.6 32.48 Favored 'Trans proline' 0 CA--C 1.558 1.717 0 N-CA-C 119.086 2.687 . . . . 0.0 119.086 -177.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo -76.73 -158.85 0.09 OUTLIER 'Trans proline' 0 CA--C 1.55 1.302 0 CA-C-N 123.887 2.424 . . . . 0.0 114.143 177.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -52.35 -13.3 0.33 Allowed 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 126.045 1.738 . . . . 0.0 115.366 171.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -61.96 -14.6 36.44 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.811 1.644 . . . . 0.0 114.889 175.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 34.2 m -120.75 4.88 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 174.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 51.0 p -94.69 4.42 53.85 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.167 0.987 . . . . 0.0 113.327 178.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 -78.59 -177.12 5.18 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.856 1.262 . . . . 0.0 112.339 -178.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -64.86 -40.95 95.95 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 121.033 -1.042 . . . . 0.0 112.163 -170.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 42.1 mt -138.08 140.37 40.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 124.746 1.219 . . . . 0.0 109.874 172.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -128.79 136.96 51.23 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.308 1.043 . . . . 0.0 109.768 168.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -136.11 155.83 49.61 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.838 1.255 . . . . 0.0 111.601 176.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -128.67 102.39 6.56 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.293 1.037 . . . . 0.0 110.885 175.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 37.2 m0 -89.57 89.46 7.84 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.627 1.571 . . . . 0.0 110.379 -177.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -80.41 90.9 5.64 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.79 0.836 . . . . 0.0 110.231 -176.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 60.5 mt -109.35 173.46 6.31 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.488 1.515 . . . . 0.0 111.897 -177.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 25.7 mp0 -63.56 166.48 6.71 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.718 1.607 . . . . 0.0 111.479 174.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -118.18 97.66 50.9 Favored Pre-proline 0 CA--C 1.545 0.751 0 C-N-CA 124.926 1.29 . . . . 0.0 111.147 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -72.44 -15.62 27.79 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 123.766 2.977 . . . . 0.0 116.346 -170.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -56.38 106.12 0.26 Allowed 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.121 1.368 . . . . 0.0 111.721 -177.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 82.64 13.67 77.61 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 124.31 0.957 . . . . 0.0 115.133 -177.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -90.62 -103.96 0.1 Allowed 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.56 1.144 . . . . 0.0 111.258 178.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.5 m -159.98 162.17 34.28 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 127.153 2.181 . . . . 0.0 109.839 177.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.3 mp -68.0 -29.62 68.68 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 120.872 -1.142 . . . . 0.0 112.142 -173.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.9 -29.94 70.54 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 120.711 -1.243 . . . . 0.0 112.951 170.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 99.3 t -77.47 -38.25 26.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.815 0.846 . . . . 0.0 110.883 174.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -60.03 -44.99 94.25 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.199 0.909 . . . . 0.0 111.343 169.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 74.1 mtt180 -63.38 -39.33 94.23 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.422 1.089 . . . . 0.0 111.879 177.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 47.8 m -61.4 -42.84 99.38 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.049 0.94 . . . . 0.0 111.711 174.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 55.7 t -69.04 -47.65 74.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 O-C-N 121.131 -0.981 . . . . 0.0 112.016 173.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 -51.53 -48.24 63.09 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.789 1.636 . . . . 0.0 112.141 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -61.25 -38.48 95.73 Favored Glycine 0 CA--C 1.533 1.209 0 C-N-CA 123.643 0.64 . . . . 0.0 113.224 178.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -72.83 -45.62 57.42 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 117.976 0.888 . . . . 0.0 111.701 177.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 58.8 t -56.57 -44.65 81.34 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 O-C-N 120.935 -1.103 . . . . 0.0 111.305 173.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 39.3 tttm -57.63 -53.65 55.77 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.189 0.996 . . . . 0.0 111.31 174.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -65.21 -36.83 85.39 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 118.695 -0.669 . . . . 0.0 112.25 -175.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 28.5 mmm180 -64.46 -43.3 94.65 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.461 1.028 . . . . 0.0 111.043 174.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 19.5 t -59.73 -50.98 78.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 CA-C-N 119.661 1.119 . . . . 0.0 113.211 171.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -59.51 -35.77 74.8 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 120.624 1.556 . . . . 0.0 112.738 178.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.72 -29.26 62.15 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 177.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 47.8 tp -75.73 -51.21 13.2 Favored 'General case' 0 C--O 1.227 -0.104 0 C-N-CA 123.905 0.882 . . . . 0.0 111.473 177.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.7 pt -61.46 -33.73 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-N 119.536 1.062 . . . . 0.0 111.894 -174.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.87 -21.0 66.72 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 175.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -85.68 -38.33 18.45 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.232 1.413 . . . . 0.0 113.372 175.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.0 pp -111.48 -0.93 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 N-CA-C 116.339 1.977 . . . . 0.0 116.339 -169.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 57.2 m . . . . . 0 C--O 1.254 1.29 0 C-N-CA 124.136 0.975 . . . . 0.0 112.584 174.279 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.461 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 15.4 ttt . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 119.878 -0.106 . . . . 0.0 111.225 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 53.6 mttp -128.74 166.69 18.5 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 126.002 1.721 . . . . 0.0 111.051 169.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.435 ' HE2' ' O ' ' A' ' 72' ' ' ASP . 1.6 mppt? -109.59 140.57 43.24 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.45 1.1 . . . . 0.0 111.435 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.3 t -122.75 141.43 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 124.166 0.986 . . . . 0.0 109.991 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 8.6 tpp -131.42 135.45 47.17 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.905 0.882 . . . . 0.0 110.518 177.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -111.64 115.48 29.19 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 125.008 1.323 . . . . 0.0 111.492 -177.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.5 t -95.3 130.88 43.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 126.273 1.829 . . . . 0.0 110.908 172.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.7 t -127.93 175.17 8.57 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.166 1.386 . . . . 0.0 109.14 169.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp -64.03 -54.39 34.94 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 120.716 -1.24 . . . . 0.0 111.868 -175.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.319 0.3 OUTLIER -116.83 7.66 13.4 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 116.85 2.167 . . . . 0.0 116.85 176.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 52.01 36.06 17.69 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 127.079 2.152 . . . . 0.0 114.279 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.6 p -95.14 -43.75 7.96 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.325 1.45 . . . . 0.0 112.28 178.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.5 t -132.48 -176.11 3.98 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.395 1.878 . . . . 0.0 110.51 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.0 mtt180 56.71 -80.01 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 127.103 2.161 . . . . 0.0 113.251 -171.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.9 p -51.65 -40.26 59.67 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 127.238 2.215 . . . . 0.0 114.175 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -69.27 -35.52 76.15 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.438 0.695 . . . . 0.0 111.78 178.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 48.1 mtt -69.59 -38.02 77.17 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.94 0.896 . . . . 0.0 111.615 171.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.45 -40.95 96.36 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.305 0.642 . . . . 0.0 111.692 177.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 62.8 tt0 -61.8 -41.91 98.34 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.843 0.857 . . . . 0.0 111.729 170.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.92 -46.94 93.24 Favored Glycine 0 CA--C 1.531 1.051 0 C-N-CA 124.036 0.827 . . . . 0.0 114.517 174.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -69.39 -47.69 63.43 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.083 1.441 . . . . 0.0 111.68 176.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.26 -37.48 85.59 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 118.4 -0.809 . . . . 0.0 113.041 -176.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -66.15 -28.39 68.75 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 120.267 1.394 . . . . 0.0 112.922 177.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.9 m -86.3 -52.41 5.64 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.172 1.389 . . . . 0.0 112.376 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 69.2 mt -83.94 -24.66 30.59 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.303 1.441 . . . . 0.0 112.259 -173.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -100.34 9.66 59.35 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 126.707 2.098 . . . . 0.0 114.558 174.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.99 112.17 0.63 Allowed 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 119.668 1.734 . . . . 0.0 112.736 -179.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.3 -21.56 8.36 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 125.116 1.341 . . . . 0.0 114.548 -178.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 1' ' ' MET . 31.2 mtpt -75.03 -39.18 61.2 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.983 1.313 . . . . 0.0 111.126 169.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.4 pp -144.44 172.62 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 125.316 1.447 . . . . 0.0 112.72 -176.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.06 144.59 51.11 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.901 1.281 . . . . 0.0 108.715 168.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.32 152.72 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 N-CA-C 115.094 1.516 . . . . 0.0 115.094 -169.406 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.1 m -146.44 153.15 40.12 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.154 1.781 . . . . 0.0 108.907 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 89.8 p -126.1 149.4 48.95 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.075 -1.016 . . . . 0.0 111.636 169.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 14.5 p -152.34 -174.54 4.93 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.802 1.241 . . . . 0.0 110.527 176.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -149.36 166.81 29.61 Favored Glycine 0 C--O 1.225 -0.453 0 O-C-N 120.334 -1.479 . . . . 0.0 113.249 169.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.443 HD21 ' H ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -65.79 -11.95 50.23 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 121.741 -0.858 . . . . 0.0 112.54 170.11 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -140.08 164.63 29.52 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 127.799 2.439 . . . . 0.0 108.179 169.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 62.7 p -132.61 140.84 48.4 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.214 1.006 . . . . 0.0 111.481 176.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 25.0 t -133.32 -96.33 0.3 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.562 0.745 . . . . 0.0 111.587 174.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.85 155.95 40.95 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.414 1.486 . . . . 0.0 110.597 171.217 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.4 t -59.1 132.51 24.16 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 CA-C-N 119.865 1.212 . . . . 0.0 108.685 170.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 53.4 t-80 -65.23 124.99 88.45 Favored Pre-proline 0 N--CA 1.464 0.229 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 177.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -70.96 -20.45 29.16 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 CA-C-N 120.329 1.153 . . . . 0.0 112.172 -169.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.4 m -72.24 -26.45 62.01 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 121.12 -0.987 . . . . 0.0 111.889 171.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.39 -38.35 89.3 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 120.567 -1.333 . . . . 0.0 111.985 174.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -56.44 -47.42 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 172.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.16 -38.44 90.56 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 121.176 0.512 . . . . 0.0 112.377 -178.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 12.1 mmt -72.74 -28.1 62.43 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 124.588 1.155 . . . . 0.0 112.719 178.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 84.3 mmm -77.97 -31.35 50.74 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 119.27 0.941 . . . . 0.0 111.265 169.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -67.53 -24.74 65.59 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 120.981 -1.074 . . . . 0.0 112.869 174.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -59.18 -31.33 68.91 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.838 1.199 . . . . 0.0 112.628 172.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.1 m -101.98 10.56 8.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.616 1.566 . . . . 0.0 112.693 177.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.51 23.04 78.52 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 124.795 1.188 . . . . 0.0 115.12 176.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 64.4 mt -110.08 141.33 25.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 125.672 1.589 . . . . 0.0 109.75 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -104.13 136.41 43.81 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.446 1.098 . . . . 0.0 112.317 178.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.7 pt -130.57 11.29 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 124.171 0.988 . . . . 0.0 111.664 169.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.7 m -66.08 -26.77 67.64 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.348 1.459 . . . . 0.0 113.412 -171.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.44 -0.71 89.5 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 125.009 1.29 . . . . 0.0 114.715 175.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -89.22 161.13 16.6 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 119.024 1.412 . . . . 0.0 110.743 176.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 25.7 p -145.76 163.64 34.35 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 128.58 2.752 . . . . 0.0 105.489 -179.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.9 m -83.26 138.37 33.61 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 121.471 -0.768 . . . . 0.0 111.997 178.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -136.43 148.24 63.21 Favored Pre-proline 0 N--CA 1.478 0.954 0 C-N-CA 124.095 0.958 . . . . 0.0 113.559 178.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -88.42 143.62 5.5 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 123.316 2.677 . . . . 0.0 113.207 -176.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 8.3 tt -57.17 -34.8 46.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 126.021 1.728 . . . . 0.0 111.993 176.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -58.99 -23.7 62.07 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.953 1.301 . . . . 0.0 114.404 -177.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.36 -15.18 33.92 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 178.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -99.37 174.59 6.21 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.47 1.108 . . . . 0.0 113.935 -169.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.9 100.75 8.89 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.309 1.844 . . . . 0.0 112.023 -175.131 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.73 -35.77 61.56 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.265 -0.897 . . . . 0.0 112.343 174.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -60.92 -31.15 70.68 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.599 1.56 . . . . 0.0 114.457 -172.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.435 ' O ' ' HE2' ' A' ' 3' ' ' LYS . 32.4 t70 -85.2 -29.53 24.62 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 179.369 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -79.26 92.28 5.1 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 121.439 -0.788 . . . . 0.0 109.396 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -48.0 -34.88 9.99 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.961 1.304 . . . . 0.0 112.144 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 52.7 t -124.93 137.85 56.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 C-N-CA 124.449 1.1 . . . . 0.0 110.692 172.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.1 t -122.87 136.1 60.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 123.8 0.84 . . . . 0.0 110.101 171.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 24.7 mm -121.5 128.52 75.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 124.655 1.182 . . . . 0.0 108.56 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.9 t -98.68 144.37 28.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 118.685 0.675 . . . . 0.0 109.414 168.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.3 mp -131.09 43.75 3.05 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 125.874 1.67 . . . . 0.0 108.964 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 50.0 m -117.51 116.73 27.71 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.434 1.894 . . . . 0.0 110.981 -172.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -65.5 98.1 0.31 Allowed Glycine 0 CA--C 1.538 1.495 0 C-N-CA 124.716 1.15 . . . . 0.0 115.019 -178.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 12.1 t 61.33 -38.16 0.11 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 129.733 3.213 . . . . 0.0 118.973 169.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -72.59 8.97 6.54 Favored Glycine 0 CA--C 1.539 1.582 0 C-N-CA 125.227 1.394 . . . . 0.0 116.084 -176.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 59.7 t -140.74 140.42 33.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 126.309 1.844 . . . . 0.0 111.251 -169.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -137.27 -2.76 2.0 Favored 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 115.949 1.833 . . . . 0.0 115.949 177.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.1 mt 42.43 64.98 5.49 Favored Pre-proline 0 CA--C 1.558 1.269 0 C-N-CA 126.103 1.761 . . . . 0.0 114.662 -173.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -51.58 -29.05 30.98 Favored 'Trans proline' 0 CA--C 1.554 1.504 0 C-N-CA 123.451 2.767 . . . . 0.0 119.036 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -75.87 -160.42 0.11 Allowed 'Trans proline' 0 CA--C 1.547 1.162 0 C-N-CA 122.694 2.263 . . . . 0.0 114.773 -176.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -61.43 -6.32 2.24 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 119.998 -1.689 . . . . 0.0 114.785 176.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -59.49 -16.85 27.0 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 120.159 -1.588 . . . . 0.0 114.783 171.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 34.9 m -113.8 0.58 8.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 124.774 1.23 . . . . 0.0 114.012 174.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 42.9 p -96.43 7.08 47.37 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.647 1.179 . . . . 0.0 113.229 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -75.98 -179.52 4.95 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.097 1.359 . . . . 0.0 111.832 177.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -62.92 -40.22 96.96 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 121.121 -0.987 . . . . 0.0 112.163 -170.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 39.3 mt -137.67 139.04 43.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 124.681 1.192 . . . . 0.0 109.873 170.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -128.75 136.04 50.03 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.21 1.004 . . . . 0.0 110.02 168.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -136.15 156.88 48.05 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.393 1.077 . . . . 0.0 111.928 177.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -127.4 103.4 7.35 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.593 1.157 . . . . 0.0 111.222 177.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 37.8 m0 -101.25 82.3 2.32 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.168 1.787 . . . . 0.0 111.001 -175.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -74.74 126.43 30.88 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 121.614 -0.679 . . . . 0.0 111.145 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 72.2 mt -141.51 172.35 12.81 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.301 1.84 . . . . 0.0 110.887 -176.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -59.56 170.21 1.11 Allowed 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.094 1.358 . . . . 0.0 113.358 173.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -113.49 93.97 29.78 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 126.142 1.777 . . . . 0.0 110.13 175.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -68.88 -15.87 40.76 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 123.387 2.725 . . . . 0.0 115.958 -173.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -54.88 108.21 0.37 Allowed 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.99 1.316 . . . . 0.0 111.925 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 80.47 13.48 81.61 Favored Glycine 0 CA--C 1.539 1.55 0 C-N-CA 124.242 0.925 . . . . 0.0 114.69 -178.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -91.24 -102.1 0.11 Allowed 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 118.587 1.193 . . . . 0.0 110.89 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 88.9 p -161.24 162.01 30.99 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 126.52 1.928 . . . . 0.0 110.496 -178.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 75.0 mt -64.69 -35.99 82.81 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.476 -0.765 . . . . 0.0 112.371 -178.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.27 -31.08 72.14 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 173.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 71.3 t -75.02 -39.29 44.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 O-C-N 120.853 -1.154 . . . . 0.0 111.569 172.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -58.82 -46.04 88.57 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.497 1.044 . . . . 0.0 111.334 169.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 58.7 mtp85 -61.57 -39.55 91.53 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.75 1.22 . . . . 0.0 112.117 176.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 46.3 m -61.26 -41.18 96.47 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.345 1.058 . . . . 0.0 112.261 175.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 53.6 t -70.46 -50.23 47.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 O-C-N 121.512 -0.743 . . . . 0.0 111.411 172.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -52.57 -47.31 66.92 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.74 1.616 . . . . 0.0 112.585 -176.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -62.01 -37.73 94.91 Favored Glycine 0 N--CA 1.474 1.185 0 C-N-CA 123.407 0.527 . . . . 0.0 113.24 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -76.14 -41.25 50.59 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.718 -0.872 . . . . 0.0 111.888 178.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 65.8 t -57.61 -46.09 86.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 O-C-N 121.257 -0.902 . . . . 0.0 111.342 170.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 38.0 tttm -57.04 -55.83 29.65 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.109 0.963 . . . . 0.0 111.28 175.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -63.94 -36.89 85.43 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 118.762 -0.637 . . . . 0.0 112.096 -174.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 38.6 mtt180 -68.33 -37.47 80.59 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 117.76 -1.114 . . . . 0.0 111.7 175.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 15.3 t -61.19 -50.44 80.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-N 120.013 1.279 . . . . 0.0 112.584 169.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -60.05 -35.73 75.76 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 120.658 1.572 . . . . 0.0 112.773 178.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.55 -30.62 64.59 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 177.261 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 48.0 tp -75.17 -51.3 13.74 Favored 'General case' 0 C--O 1.226 -0.157 0 C-N-CA 123.856 0.862 . . . . 0.0 111.521 177.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.9 pt -61.11 -33.91 58.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 CA-C-N 119.663 1.119 . . . . 0.0 111.985 -175.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.1 -21.73 66.65 Favored 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 175.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -85.62 -39.3 17.47 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.931 1.292 . . . . 0.0 113.167 175.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.0 pp -110.97 0.15 9.37 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 N-CA-C 116.551 2.056 . . . . 0.0 116.551 -169.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.9 m . . . . . 0 C--O 1.254 1.314 0 C-N-CA 124.017 0.927 . . . . 0.0 112.305 173.735 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.3 ttm . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 111.347 0.128 . . . . 0.0 111.347 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -128.79 164.79 22.26 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 126.35 1.86 . . . . 0.0 110.0 169.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.401 ' HE2' ' O ' ' A' ' 72' ' ' ASP . 1.5 mppt? -110.32 141.16 43.72 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.469 1.108 . . . . 0.0 111.5 -174.026 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.0 t -121.89 139.42 48.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.136 0.974 . . . . 0.0 109.914 177.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 5.4 tpp -129.88 132.1 46.3 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 124.026 0.93 . . . . 0.0 110.163 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -110.21 112.3 24.18 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.405 1.082 . . . . 0.0 111.718 -174.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.6 t -89.81 137.49 21.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 125.901 1.681 . . . . 0.0 111.136 170.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 36.8 t -132.52 176.58 8.31 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.032 1.733 . . . . 0.0 107.192 168.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.0 ttpp -63.89 -59.63 4.28 Favored 'General case' 0 N--CA 1.483 1.176 0 O-C-N 120.298 -1.501 . . . . 0.0 110.36 178.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.296 0.3 OUTLIER -114.05 3.04 15.15 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 117.316 2.339 . . . . 0.0 117.316 -178.052 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 53.32 31.78 12.45 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 126.585 1.954 . . . . 0.0 115.201 176.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.6 p -85.96 -36.09 20.04 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.444 1.498 . . . . 0.0 112.509 170.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.6 p -142.25 175.62 9.62 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.678 1.991 . . . . 0.0 111.242 -169.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 96.7 mtm-85 55.86 -76.36 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 127.272 2.229 . . . . 0.0 114.236 -173.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.4 p -50.23 -39.94 46.12 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 126.06 1.744 . . . . 0.0 113.892 177.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 43.0 mm-40 -67.67 -37.12 81.91 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.774 0.829 . . . . 0.0 112.293 176.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.5 mtt -69.44 -38.48 77.82 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.014 0.925 . . . . 0.0 111.897 171.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.31 -41.29 96.74 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 119.125 0.875 . . . . 0.0 111.424 178.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 73.2 tt0 -61.69 -41.77 98.03 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.338 0.655 . . . . 0.0 111.2 169.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.56 -44.95 97.3 Favored Glycine 0 N--CA 1.475 1.298 0 C-N-CA 124.659 1.123 . . . . 0.0 115.679 175.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -67.17 -47.53 70.68 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 121.12 -1.223 . . . . 0.0 110.747 174.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.7 -42.12 86.94 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.493 -0.755 . . . . 0.0 112.935 -177.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.6 ptmm? -62.83 -24.38 67.74 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 119.394 0.997 . . . . 0.0 113.387 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.0 m -91.24 -52.48 4.79 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.518 1.527 . . . . 0.0 112.478 176.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.3 mt -81.52 -28.87 33.79 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.431 1.093 . . . . 0.0 112.284 -170.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -101.52 14.46 57.87 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 126.601 2.048 . . . . 0.0 114.283 173.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.24 113.25 1.07 Allowed 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 118.653 1.227 . . . . 0.0 113.032 -173.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.34 -5.67 82.45 Favored Glycine 0 N--CA 1.474 1.167 0 C-N-CA 124.054 0.835 . . . . 0.0 114.762 175.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -105.83 -27.75 11.05 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.368 1.467 . . . . 0.0 112.745 169.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 pp -128.69 172.87 14.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 123.536 0.734 . . . . 0.0 112.62 170.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -132.69 143.42 49.62 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.613 1.165 . . . . 0.0 109.353 169.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -139.72 151.83 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 N-CA-C 115.158 1.54 . . . . 0.0 115.158 -169.366 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.9 m -145.18 153.05 40.94 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.925 1.69 . . . . 0.0 109.31 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 93.4 p -128.55 151.16 49.77 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 120.768 -1.208 . . . . 0.0 112.105 169.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 19.1 p -154.31 -177.91 6.77 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.943 1.297 . . . . 0.0 110.696 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -148.71 167.49 29.27 Favored Glycine 0 N--CA 1.464 0.508 0 O-C-N 120.336 -1.478 . . . . 0.0 112.818 169.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.53 -11.33 52.27 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 118.369 1.084 . . . . 0.0 112.979 175.47 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -148.17 172.85 13.66 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 127.688 2.395 . . . . 0.0 108.679 168.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.2 p -125.94 138.11 53.75 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.405 1.082 . . . . 0.0 112.333 -177.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.0 t -117.38 -130.73 0.31 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.265 1.826 . . . . 0.0 109.2 173.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.67 146.72 44.47 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 127.826 2.45 . . . . 0.0 109.081 170.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.78 129.21 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 CA-C-N 119.193 0.906 . . . . 0.0 108.664 169.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -72.88 129.45 86.58 Favored Pre-proline 0 CA--C 1.536 0.413 0 O-C-N 121.747 -0.596 . . . . 0.0 110.831 -171.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.61 -27.77 18.19 Favored 'Trans proline' 0 CA--C 1.536 0.591 0 CA-C-N 120.163 1.094 . . . . 0.0 112.184 -170.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.3 m -74.09 -28.55 61.42 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.433 -0.792 . . . . 0.0 111.658 175.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.61 -46.11 84.49 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 120.852 -1.155 . . . . 0.0 112.251 172.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.4 mt -60.2 -46.52 94.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 123.795 0.838 . . . . 0.0 110.063 175.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.61 -39.61 88.81 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 178.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 12.5 mmt -75.16 -23.87 57.84 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.139 1.375 . . . . 0.0 112.382 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -78.24 -36.06 47.48 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.329 1.052 . . . . 0.0 110.308 169.231 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -68.47 -25.44 64.99 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.01 -1.056 . . . . 0.0 113.095 178.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -59.67 -29.14 67.86 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 119.535 1.061 . . . . 0.0 112.882 171.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.4 m -102.48 12.47 7.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 125.295 1.438 . . . . 0.0 112.618 175.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.88 19.83 79.61 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 125.15 1.357 . . . . 0.0 115.118 177.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 52.1 mt -100.99 139.64 21.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 125.454 1.501 . . . . 0.0 109.953 -178.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -114.45 120.41 40.18 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.267 1.027 . . . . 0.0 111.689 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 34.9 pt -119.71 11.83 6.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.42 1.488 . . . . 0.0 113.012 170.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 89.8 p -65.77 -20.08 66.13 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 120.622 -1.299 . . . . 0.0 114.276 -173.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -79.38 -2.51 87.72 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 124.689 1.138 . . . . 0.0 115.151 172.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -93.1 156.66 16.73 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 119.017 1.409 . . . . 0.0 110.778 178.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 34.6 p -143.87 164.83 29.43 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 127.754 2.422 . . . . 0.0 105.893 177.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.1 m -79.28 134.16 36.64 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.285 -0.885 . . . . 0.0 111.726 179.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -136.57 147.51 60.03 Favored Pre-proline 0 N--CA 1.482 1.151 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -179.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -86.95 145.39 7.56 Favored 'Trans proline' 0 CA--C 1.542 0.875 0 C-N-CA 123.543 2.829 . . . . 0.0 114.216 -173.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 8.5 tt -57.44 -34.48 46.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 126.792 2.037 . . . . 0.0 112.095 178.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -61.35 -23.15 65.55 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 -177.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.51 -12.52 39.77 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 177.509 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -98.63 170.61 8.67 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.883 1.273 . . . . 0.0 113.963 -169.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -120.54 87.69 2.8 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.25 1.42 . . . . 0.0 113.096 -169.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.37 -35.05 26.36 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -59.24 -26.96 65.33 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.148 1.379 . . . . 0.0 114.178 -176.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.401 ' O ' ' HE2' ' A' ' 3' ' ' LYS . 33.2 t70 -85.95 -28.12 24.48 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 176.497 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -81.35 93.94 6.67 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 121.524 -0.735 . . . . 0.0 109.434 -174.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -48.49 -34.43 11.16 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.417 1.087 . . . . 0.0 111.853 177.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 45.5 t -127.03 137.92 56.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 C-N-CA 124.217 1.007 . . . . 0.0 110.912 172.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 52.5 t -122.76 136.7 58.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 123.858 0.863 . . . . 0.0 110.068 170.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 28.4 mm -121.85 135.5 61.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 C-N-CA 124.518 1.127 . . . . 0.0 109.117 -179.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.5 t -102.34 140.31 36.79 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 124.041 0.937 . . . . 0.0 109.933 169.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.3 mp -135.84 45.01 2.44 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.033 1.733 . . . . 0.0 109.007 -179.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 79.3 m -97.37 -18.56 19.04 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 -169.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.3 48.48 10.86 Favored Glycine 0 CA--C 1.537 1.415 0 CA-C-N 118.641 0.655 . . . . 0.0 113.119 -176.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 3.9 t 61.94 -173.36 0.14 Allowed 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 125.364 1.466 . . . . 0.0 112.426 -169.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 74.38 2.78 64.09 Favored Glycine 0 CA--C 1.537 1.445 0 C-N-CA 124.666 1.126 . . . . 0.0 115.124 -174.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 61.4 t -143.73 136.75 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 126.4 1.88 . . . . 0.0 109.753 -171.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -137.97 1.23 2.25 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 115.726 1.75 . . . . 0.0 115.726 178.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 51.5 mt 42.95 61.37 9.62 Favored Pre-proline 0 CA--C 1.556 1.194 0 C-N-CA 126.0 1.72 . . . . 0.0 114.508 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -58.48 -17.05 32.3 Favored 'Trans proline' 0 CA--C 1.555 1.571 0 N-CA-C 118.874 2.605 . . . . 0.0 118.874 -177.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_exo -75.88 -159.5 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 CA-C-N 123.86 2.414 . . . . 0.0 114.156 175.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -58.6 -11.65 3.26 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 120.143 -1.598 . . . . 0.0 115.225 176.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 79.8 m95 -57.11 -20.68 27.02 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.765 2.026 . . . . 0.0 115.671 177.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 17.6 m -109.01 -12.6 10.96 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 -178.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.0 t -97.66 16.99 18.89 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-O 122.356 1.074 . . . . 0.0 112.707 -179.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -72.69 176.21 5.73 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.267 1.027 . . . . 0.0 110.31 169.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -63.01 -36.57 83.98 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 120.799 -1.188 . . . . 0.0 112.975 -169.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 34.9 mt -136.96 138.01 46.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 124.186 0.994 . . . . 0.0 109.948 169.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -127.97 135.7 50.29 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.411 1.084 . . . . 0.0 109.982 168.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -136.0 156.61 48.48 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.534 1.134 . . . . 0.0 111.812 176.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -128.04 104.12 7.61 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.704 1.202 . . . . 0.0 111.032 176.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 34.7 m0 -96.38 86.06 4.09 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.746 1.618 . . . . 0.0 110.456 -177.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -76.5 114.46 15.25 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.599 -0.688 . . . . 0.0 110.345 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 79.2 mt -136.37 171.83 13.9 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 126.324 1.85 . . . . 0.0 111.507 -177.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 21.9 mp0 -59.66 167.77 1.93 Allowed 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.87 2.068 . . . . 0.0 112.55 175.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -118.6 92.32 43.71 Favored Pre-proline 0 CA--C 1.545 0.788 0 C-N-CA 125.265 1.426 . . . . 0.0 111.666 -177.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -71.57 -17.92 29.59 Favored 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 123.764 2.976 . . . . 0.0 116.463 -170.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -56.31 101.1 0.05 OUTLIER 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 126.056 1.742 . . . . 0.0 111.412 -177.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 86.62 14.09 66.22 Favored Glycine 0 CA--C 1.54 1.656 0 C-N-CA 124.443 1.02 . . . . 0.0 115.415 -177.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -90.84 -106.69 0.1 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.115 1.366 . . . . 0.0 111.003 177.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.6 t -155.57 167.56 29.97 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 126.144 1.778 . . . . 0.0 110.172 173.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.0 mp -66.98 -31.44 72.01 Favored 'General case' 0 C--O 1.222 -0.381 0 C-N-CA 124.309 1.043 . . . . 0.0 112.114 -174.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -61.87 -35.06 77.19 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.17 -0.956 . . . . 0.0 111.874 171.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 87.6 t -74.21 -37.53 46.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 123.52 0.728 . . . . 0.0 110.903 175.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -60.83 -49.09 78.9 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 119.092 0.86 . . . . 0.0 111.355 170.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -59.28 -39.35 82.64 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.524 1.13 . . . . 0.0 111.642 177.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 58.7 m -65.65 -38.93 90.74 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.419 0.687 . . . . 0.0 112.336 178.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 38.4 t -67.46 -46.67 82.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 O-C-N 121.284 -0.885 . . . . 0.0 111.36 169.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.62 -44.49 73.19 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.392 1.077 . . . . 0.0 112.496 -176.124 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -61.11 -37.72 94.4 Favored Glycine 0 CA--C 1.533 1.206 0 CA-C-N 118.044 0.383 . . . . 0.0 112.773 -179.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -79.11 -45.98 18.95 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.261 0.624 . . . . 0.0 111.481 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 48.2 t -55.97 -43.43 75.01 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 O-C-N 120.95 -1.094 . . . . 0.0 111.155 172.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 41.9 tttm -58.43 -54.33 48.28 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.557 1.143 . . . . 0.0 111.666 173.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -64.89 -36.63 84.98 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 118.88 0.764 . . . . 0.0 112.242 -174.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 28.9 mmm180 -64.09 -42.77 96.81 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 118.11 -0.948 . . . . 0.0 111.172 173.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 20.9 t -60.54 -51.16 76.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 CA-C-O 117.854 -1.07 . . . . 0.0 113.039 171.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -59.26 -35.58 73.97 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 120.745 1.611 . . . . 0.0 112.631 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.11 -27.3 61.62 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 177.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 47.0 tp -80.93 -49.02 11.51 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 124.257 1.023 . . . . 0.0 111.963 178.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 10.9 pt -64.1 -28.59 45.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 CA-C-N 119.1 0.864 . . . . 0.0 112.645 -175.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.0 -19.43 63.33 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 174.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -88.13 -44.24 11.06 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.974 1.31 . . . . 0.0 112.728 174.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.286 1.3 pp -100.36 -3.18 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 N-CA-C 116.822 2.156 . . . . 0.0 116.822 -169.65 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 66.7 p . . . . . 0 C--O 1.253 1.254 0 CA-C-N 120.192 1.36 . . . . 0.0 114.012 177.153 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.417 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 10.7 ttt . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 111.433 0.16 . . . . 0.0 111.433 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -130.52 164.94 23.76 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 125.76 1.624 . . . . 0.0 110.894 170.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -108.78 141.34 40.92 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.549 1.14 . . . . 0.0 112.054 -176.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.5 t -121.91 141.14 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 124.626 1.17 . . . . 0.0 109.75 179.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.7 tpp -131.28 134.36 46.32 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.69 0.796 . . . . 0.0 110.418 178.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -105.36 130.82 53.39 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 124.584 1.154 . . . . 0.0 111.098 -177.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.5 t -113.14 134.71 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 126.647 1.979 . . . . 0.0 109.483 172.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.3 t -135.28 171.03 15.02 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.717 1.207 . . . . 0.0 110.314 171.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.12 -26.89 64.17 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -172.018 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.62 4.29 1.73 Allowed 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 116.865 2.172 . . . . 0.0 116.865 170.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 53.62 33.0 15.48 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 126.389 1.875 . . . . 0.0 115.46 178.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.9 p -89.14 -41.77 12.07 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.935 1.294 . . . . 0.0 112.414 176.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.7 t -132.0 -156.93 0.78 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 126.976 2.11 . . . . 0.0 110.08 178.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 50.64 -89.95 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 127.335 2.254 . . . . 0.0 113.039 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.9 p -41.25 -43.76 2.47 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 126.815 2.046 . . . . 0.0 114.547 171.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -65.93 -35.66 81.21 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 121.132 -0.98 . . . . 0.0 112.645 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 43.8 mtt -70.39 -33.22 71.14 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.637 0.775 . . . . 0.0 111.819 172.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.83 -40.25 94.88 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.408 0.683 . . . . 0.0 112.018 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -62.65 -40.92 98.54 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.969 -0.457 . . . . 0.0 111.043 169.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.12 -48.8 80.73 Favored Glycine 0 N--CA 1.472 1.073 0 C-N-CA 124.191 0.901 . . . . 0.0 114.111 175.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -69.72 -45.32 68.47 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 118.623 1.211 . . . . 0.0 111.703 176.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.18 -41.81 94.24 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.551 -0.718 . . . . 0.0 112.643 -177.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -65.93 -25.22 67.03 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-N 119.769 1.168 . . . . 0.0 113.222 -179.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.5 m -89.85 -48.83 6.99 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.604 1.562 . . . . 0.0 112.347 179.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 69.7 mt -85.24 -30.83 23.52 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.676 1.19 . . . . 0.0 112.118 -173.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -100.14 15.28 59.31 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 126.72 2.105 . . . . 0.0 114.463 172.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -45.88 109.54 0.19 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.134 1.373 . . . . 0.0 113.754 -175.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.59 -18.4 15.2 Favored Glycine 0 CA--C 1.532 1.153 0 C-N-CA 124.822 1.201 . . . . 0.0 114.631 175.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 1' ' ' MET . 17.2 ptmt -85.8 -26.03 25.98 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 118.336 1.068 . . . . 0.0 112.63 169.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.3 pp -133.5 171.12 18.58 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 C-N-CA 123.941 0.896 . . . . 0.0 111.576 169.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -131.26 147.6 52.6 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.221 1.008 . . . . 0.0 109.505 168.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.64 151.31 20.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 N-CA-C 115.409 1.633 . . . . 0.0 115.409 -169.202 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.0 m -139.86 150.54 44.76 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.661 1.584 . . . . 0.0 110.061 177.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.6 t -122.29 139.69 53.51 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.816 1.646 . . . . 0.0 111.981 175.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 15.2 p -154.35 -177.79 6.69 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.735 1.614 . . . . 0.0 111.871 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -143.57 165.18 27.23 Favored Glycine 0 N--CA 1.468 0.775 0 O-C-N 120.261 -1.524 . . . . 0.0 112.193 169.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.442 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.6 OUTLIER -66.81 -10.39 47.25 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 118.386 1.093 . . . . 0.0 113.197 174.195 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -155.63 168.43 27.18 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 128.304 2.642 . . . . 0.0 108.664 169.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.2 t -118.36 146.8 44.11 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.255 1.022 . . . . 0.0 113.002 -171.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 35.1 t -126.83 -116.25 0.27 Allowed 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 126.651 1.98 . . . . 0.0 109.472 173.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.62 150.61 42.22 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 127.66 2.384 . . . . 0.0 109.482 172.366 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.2 t -58.42 132.24 23.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 CA-C-N 119.244 0.929 . . . . 0.0 109.823 170.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -78.96 124.59 84.77 Favored Pre-proline 0 N--CA 1.465 0.28 0 CA-C-O 119.075 -0.488 . . . . 0.0 110.552 -178.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -73.2 -21.4 20.29 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 121.062 1.174 . . . . 0.0 112.29 -170.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.8 m -74.49 -28.4 60.99 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 121.254 -0.904 . . . . 0.0 111.481 172.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.05 -42.69 95.01 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.841 1.2 . . . . 0.0 111.452 172.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -58.68 -45.39 90.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 123.582 0.753 . . . . 0.0 109.28 175.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.69 -43.43 98.83 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 178.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 11.6 mmt -70.17 -22.72 62.93 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.913 0.885 . . . . 0.0 112.481 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 78.8 mmm -82.42 -35.09 27.95 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.775 0.83 . . . . 0.0 111.858 169.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -64.8 -26.18 68.23 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 120.834 -1.166 . . . . 0.0 112.262 172.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -63.66 -17.83 63.34 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 172.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.4 m -114.98 13.34 8.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 125.754 1.622 . . . . 0.0 112.734 171.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.44 22.6 78.59 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 124.756 1.17 . . . . 0.0 115.2 176.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.3 mt -111.08 138.03 41.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 125.396 1.478 . . . . 0.0 109.656 179.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -99.64 134.72 42.12 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.394 1.078 . . . . 0.0 112.029 177.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.7 pt -130.65 14.52 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 C-N-CA 124.114 0.965 . . . . 0.0 111.943 169.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.0 m -69.9 -23.25 63.21 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.355 1.462 . . . . 0.0 113.893 -171.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -80.32 2.24 77.83 Favored Glycine 0 CA--C 1.539 1.57 0 C-N-CA 124.899 1.238 . . . . 0.0 114.717 175.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -99.2 158.79 15.45 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.332 1.453 . . . . 0.0 110.092 176.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.1 t -149.87 176.16 10.99 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 106.313 -1.736 . . . . 0.0 106.313 169.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.4 m -74.97 134.79 41.42 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.943 -177.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -139.4 145.28 43.47 Favored Pre-proline 0 CA--C 1.547 0.846 0 C-N-CA 124.689 1.195 . . . . 0.0 113.51 177.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -85.8 144.77 8.76 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 123.719 2.946 . . . . 0.0 113.684 -176.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.4 tt -56.61 -36.31 47.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 126.617 1.967 . . . . 0.0 111.771 177.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -60.88 -24.29 65.83 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -176.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -85.1 -15.1 45.05 Favored 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 177.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -100.74 177.3 5.03 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.777 1.231 . . . . 0.0 113.219 -171.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -117.6 97.54 5.92 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.97 1.708 . . . . 0.0 112.771 -171.361 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.62 -28.66 63.88 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 121.342 -0.849 . . . . 0.0 113.252 177.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -62.72 -36.22 82.27 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.962 1.705 . . . . 0.0 114.052 -176.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -87.05 -32.19 20.11 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -175.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -72.83 105.24 4.29 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 177.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -55.35 -31.45 61.74 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.815 0.846 . . . . 0.0 111.92 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 57.4 t -131.77 140.35 48.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 125.387 1.475 . . . . 0.0 110.202 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 51.1 t -126.81 139.32 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 123.99 0.916 . . . . 0.0 110.087 173.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 25.1 mm -126.81 133.28 68.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 124.352 1.061 . . . . 0.0 110.434 -174.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 45.0 t -99.54 136.5 39.38 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.819 0.848 . . . . 0.0 111.353 169.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.3 mp -132.4 42.32 3.12 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.831 1.652 . . . . 0.0 109.872 176.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 71.7 m -84.9 -28.87 25.65 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 115.263 1.579 . . . . 0.0 115.263 -169.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.96 49.92 4.1 Favored Glycine 0 CA--C 1.536 1.379 0 CA-C-N 119.091 0.86 . . . . 0.0 112.507 -171.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 63.4 m 61.41 177.56 0.11 Allowed 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 126.937 2.095 . . . . 0.0 114.129 -174.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 74.59 9.15 82.12 Favored Glycine 0 CA--C 1.539 1.585 0 C-N-CA 124.38 0.99 . . . . 0.0 115.161 -177.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 60.3 t -139.61 136.57 40.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 126.252 1.821 . . . . 0.0 109.446 -176.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -140.06 5.42 2.12 Favored 'General case' 0 CA--C 1.551 0.981 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 178.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 66.4 mt 41.92 68.27 2.74 Favored Pre-proline 0 N--CA 1.482 1.168 0 C-N-CA 126.508 1.923 . . . . 0.0 114.843 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -51.53 -29.41 31.89 Favored 'Trans proline' 0 CA--C 1.556 1.602 0 C-N-CA 123.284 2.656 . . . . 0.0 118.937 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_exo -75.24 -159.49 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.102 0 C-N-CA 122.851 2.367 . . . . 0.0 115.595 -177.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -57.98 -3.72 0.26 Allowed 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.981 1.712 . . . . 0.0 115.165 171.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -76.02 8.06 3.53 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.063 1.745 . . . . 0.0 115.277 173.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 34.7 m -132.94 10.63 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 125.073 1.349 . . . . 0.0 113.411 169.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 62.1 p -99.74 10.73 40.84 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.831 1.252 . . . . 0.0 112.931 -179.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 21.7 mp0 -59.57 177.04 0.22 Allowed 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 129.246 3.018 . . . . 0.0 114.118 177.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -65.5 -43.13 91.08 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.235 169.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 36.4 mt -137.42 141.08 40.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 125.431 1.493 . . . . 0.0 109.852 173.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -130.8 132.54 45.31 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.368 1.067 . . . . 0.0 108.797 168.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -135.05 152.69 51.92 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.431 1.093 . . . . 0.0 111.323 178.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -132.31 66.09 1.56 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.101 0.96 . . . . 0.0 111.773 -175.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -71.02 99.69 1.86 Allowed 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.031 -1.043 . . . . 0.0 110.303 179.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -78.9 124.08 27.88 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.4 -0.812 . . . . 0.0 110.724 -173.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 96.1 mt -139.95 151.45 45.56 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.687 1.595 . . . . 0.0 108.702 -179.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -71.87 160.37 32.67 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 121.553 0.692 . . . . 0.0 112.0 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -93.85 115.88 65.71 Favored Pre-proline 0 CA--C 1.547 0.839 0 CA-C-O 118.62 -0.705 . . . . 0.0 111.749 -178.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -73.43 -9.1 22.66 Favored 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 123.268 2.645 . . . . 0.0 116.765 -174.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -57.71 110.49 0.9 Allowed 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 119.913 1.233 . . . . 0.0 111.86 -176.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.64 15.81 80.46 Favored Glycine 0 CA--C 1.539 1.554 0 CA-C-O 119.101 -0.833 . . . . 0.0 114.712 -179.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -85.65 -96.67 0.07 Allowed 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 118.374 1.087 . . . . 0.0 110.863 178.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 53.9 p -159.44 162.01 35.6 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 126.563 1.945 . . . . 0.0 109.344 172.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.9 mp -69.83 -24.78 63.5 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.51 -0.744 . . . . 0.0 111.313 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -66.29 -39.19 89.21 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 121.053 -1.03 . . . . 0.0 111.44 169.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.2 t -66.89 -40.71 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 O-C-N 121.222 -0.924 . . . . 0.0 110.958 172.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -59.01 -49.04 79.43 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 119.817 1.19 . . . . 0.0 111.56 173.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 81.2 mtt-85 -60.14 -39.26 85.7 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.879 0.871 . . . . 0.0 111.792 177.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 98.5 m -64.2 -46.11 85.36 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.069 0.947 . . . . 0.0 111.457 177.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 57.3 t -68.74 -46.36 79.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 123.568 0.747 . . . . 0.0 110.984 177.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 49.4 ttp180 -52.52 -48.56 65.97 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.581 1.552 . . . . 0.0 112.113 176.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -58.92 -38.46 92.65 Favored Glycine 0 N--CA 1.472 1.043 0 C-N-CA 124.0 0.809 . . . . 0.0 113.071 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -74.57 -46.98 35.23 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 117.928 0.864 . . . . 0.0 112.412 173.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 99.6 t -52.82 -40.51 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 CA-C-N 120.218 1.372 . . . . 0.0 111.394 175.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 38.0 tttm -57.8 -57.6 12.03 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.884 0.874 . . . . 0.0 111.742 171.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -66.34 -35.12 79.56 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -173.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -64.66 -41.81 95.83 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.49 1.041 . . . . 0.0 110.398 175.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 11.8 t -62.65 -50.49 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 CA-C-O 117.592 -1.194 . . . . 0.0 113.114 170.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -57.45 -35.69 70.44 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 121.298 1.863 . . . . 0.0 113.019 178.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -25.31 59.68 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 112.997 0.739 . . . . 0.0 112.997 178.358 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 59.3 tp -82.82 -47.89 11.39 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.554 1.141 . . . . 0.0 111.851 177.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 11.8 pt -63.79 -29.27 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 CA-C-N 119.533 1.061 . . . . 0.0 112.699 -175.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.13 -21.83 64.91 Favored 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 174.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -86.18 -42.52 13.76 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.244 1.418 . . . . 0.0 112.871 175.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.293 1.4 pp -104.32 2.17 10.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 N-CA-C 116.45 2.019 . . . . 0.0 116.45 -170.261 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 32.3 t . . . . . 0 C--O 1.255 1.365 0 CA-C-N 119.344 0.975 . . . . 0.0 112.267 169.65 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.416 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 11.5 ttt . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 119.911 -0.09 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -130.77 164.29 25.44 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 125.87 1.668 . . . . 0.0 112.051 174.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.402 ' HB2' ' HE2' ' A' ' 3' ' ' LYS . 2.2 mppt? -107.02 136.7 46.44 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.027 1.331 . . . . 0.0 110.963 -177.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.3 t -122.38 139.94 47.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 124.225 1.01 . . . . 0.0 109.923 177.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 8.2 tpp -131.22 133.95 45.97 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.024 0.93 . . . . 0.0 110.67 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -112.32 118.06 34.2 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.723 1.209 . . . . 0.0 112.169 -173.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.4 t -96.16 138.59 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 126.52 1.928 . . . . 0.0 111.515 174.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 48.9 t -137.29 178.32 7.19 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.866 1.667 . . . . 0.0 109.305 169.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -54.96 -60.74 2.95 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 120.009 1.277 . . . . 0.0 112.206 178.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -126.03 16.43 7.91 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 115.402 1.63 . . . . 0.0 115.402 -177.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 52.21 37.01 20.82 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 127.1 2.16 . . . . 0.0 113.739 -176.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.9 p -91.15 -49.49 6.36 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.904 1.681 . . . . 0.0 112.402 -179.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.6 t -131.77 179.18 6.22 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.968 1.707 . . . . 0.0 110.691 -178.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.1 mtt85 54.53 -73.08 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 128.089 2.556 . . . . 0.0 114.37 -171.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.7 p -51.61 -38.94 56.9 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 126.439 1.895 . . . . 0.0 113.77 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -71.39 -36.04 71.27 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.31 0.644 . . . . 0.0 111.67 177.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 45.4 mtt -68.43 -40.25 81.24 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.68 0.792 . . . . 0.0 111.08 171.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.41 -43.72 88.74 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.027 0.931 . . . . 0.0 111.631 177.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 -61.02 -40.45 93.63 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.5 0.72 . . . . 0.0 111.309 169.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.08 -51.02 59.91 Favored Glycine 0 N--CA 1.472 1.061 0 C-N-CA 125.75 1.643 . . . . 0.0 115.319 173.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -67.55 -46.33 73.07 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.751 1.776 . . . . 0.0 110.131 176.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.1 -41.72 90.24 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 113.21 0.818 . . . . 0.0 113.21 -173.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -62.01 -26.9 68.5 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-N 119.307 0.958 . . . . 0.0 113.005 178.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.6 m -90.35 -52.38 4.95 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.954 1.701 . . . . 0.0 112.699 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 76.6 mt -85.11 -29.4 24.87 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.181 1.392 . . . . 0.0 112.327 -171.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -98.81 11.85 62.6 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 126.172 1.844 . . . . 0.0 114.452 173.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.5 111.42 0.49 Allowed 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 119.234 1.517 . . . . 0.0 113.392 -173.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.15 -18.28 23.45 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 124.715 1.15 . . . . 0.0 115.036 176.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 1' ' ' MET . 16.8 ptmt -88.74 -26.06 21.97 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.299 1.04 . . . . 0.0 112.706 169.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 pp -133.98 170.82 19.02 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 123.968 0.907 . . . . 0.0 111.987 169.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.5 145.18 51.19 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.141 0.976 . . . . 0.0 109.599 168.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -140.37 151.03 21.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 N-CA-C 115.174 1.546 . . . . 0.0 115.174 -169.378 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.9 m -145.75 151.09 37.41 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.902 1.681 . . . . 0.0 109.139 178.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 89.0 p -124.33 150.26 45.67 Favored 'General case' 0 N--CA 1.468 0.425 0 O-C-N 120.944 -1.098 . . . . 0.0 111.839 169.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 15.8 p -153.91 -176.17 5.72 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.446 1.498 . . . . 0.0 110.664 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -153.56 168.54 32.17 Favored Glycine 0 C--O 1.223 -0.562 0 O-C-N 120.323 -1.486 . . . . 0.0 112.759 171.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.29 -12.87 59.05 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 118.634 1.217 . . . . 0.0 112.932 174.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -138.44 176.64 8.52 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 127.766 2.427 . . . . 0.0 109.55 169.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.8 p -136.38 144.89 44.8 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.147 1.379 . . . . 0.0 111.31 171.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 40.5 m -137.4 -75.66 0.41 Allowed 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.156 0.583 . . . . 0.0 112.481 170.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.15 161.79 22.45 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 126.841 2.057 . . . . 0.0 109.843 169.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.8 t -62.42 137.52 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 CA-C-N 119.498 1.045 . . . . 0.0 108.512 169.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -66.24 124.55 88.29 Favored Pre-proline 0 N--CA 1.466 0.371 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 174.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.43 -24.96 30.62 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 CA-C-N 120.298 1.142 . . . . 0.0 112.205 -169.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.1 m -71.95 -29.35 64.18 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.441 -0.787 . . . . 0.0 111.932 173.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.59 -44.49 93.34 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 120.625 -1.297 . . . . 0.0 111.523 174.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.1 mt -59.0 -43.82 89.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.847 0.859 . . . . 0.0 110.81 174.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.85 -37.12 86.19 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 177.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 14.4 mmt -74.46 -29.17 61.35 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.988 1.315 . . . . 0.0 112.768 178.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 85.1 mmm -75.78 -31.97 59.71 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.696 0.68 . . . . 0.0 111.514 169.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -68.61 -23.36 64.44 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.361 -0.837 . . . . 0.0 113.224 174.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -60.48 -32.34 71.33 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.851 1.205 . . . . 0.0 112.705 171.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.1 m -98.44 10.63 6.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 125.033 1.333 . . . . 0.0 112.526 176.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.9 19.34 78.18 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 124.83 1.205 . . . . 0.0 114.759 176.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 63.7 mt -101.87 129.61 52.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 124.734 1.214 . . . . 0.0 110.18 -179.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -97.14 118.74 34.24 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -177.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 9.4 pt -122.23 14.26 5.74 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 C-N-CA 125.049 1.34 . . . . 0.0 111.893 169.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.2 m -65.25 -30.83 71.74 Favored 'General case' 0 N--CA 1.48 1.057 0 O-C-N 120.74 -1.225 . . . . 0.0 113.063 -172.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -83.31 3.09 85.89 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 124.803 1.192 . . . . 0.0 114.95 176.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -86.61 158.8 19.41 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.348 1.574 . . . . 0.0 110.896 176.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 23.7 p -140.94 161.36 38.0 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 127.917 2.487 . . . . 0.0 107.682 -178.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 65.3 p -87.53 137.63 32.18 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.515 -0.74 . . . . 0.0 112.731 178.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -137.72 146.67 53.94 Favored Pre-proline 0 N--CA 1.478 0.963 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 -178.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -87.65 146.0 6.93 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 123.623 2.882 . . . . 0.0 113.912 -172.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.7 tt -55.87 -35.34 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 127.508 2.323 . . . . 0.0 112.153 178.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -60.39 -23.96 64.75 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.641 1.177 . . . . 0.0 113.947 -178.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.06 -14.25 34.21 Favored 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 178.396 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -96.14 171.83 8.36 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.637 1.175 . . . . 0.0 113.501 -169.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -121.26 86.65 2.61 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.461 1.505 . . . . 0.0 112.452 -169.581 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.88 -34.27 27.49 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -178.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -58.99 -26.38 64.46 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.337 1.455 . . . . 0.0 114.184 -178.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -93.41 0.99 57.03 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 178.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -106.62 103.21 12.61 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.188 -0.945 . . . . 0.0 108.815 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -51.71 -38.57 55.74 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.48 0.712 . . . . 0.0 111.186 175.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 38.5 t -126.81 136.58 60.38 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 C-N-CA 124.102 0.961 . . . . 0.0 110.422 177.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 48.7 t -121.44 137.76 54.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 123.781 0.833 . . . . 0.0 109.697 170.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 30.3 mm -123.42 137.49 56.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 124.554 1.142 . . . . 0.0 109.748 -177.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.0 t -105.28 135.84 45.9 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.415 0.686 . . . . 0.0 110.758 169.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.2 mp -129.56 41.06 3.5 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.356 1.463 . . . . 0.0 109.896 -178.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 20.1 m -110.25 -19.42 13.01 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 115.591 1.7 . . . . 0.0 115.591 -169.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.59 -168.91 28.28 Favored Glycine 0 CA--C 1.539 1.55 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 -168.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 8.6 t -68.87 -21.81 64.24 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -170.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -69.87 0.87 18.97 Favored Glycine 0 CA--C 1.536 1.384 0 N-CA-C 116.227 1.251 . . . . 0.0 116.227 -173.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 30.9 t -135.57 134.89 51.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 125.504 1.522 . . . . 0.0 111.506 -169.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -134.98 -6.07 2.38 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 115.707 1.743 . . . . 0.0 115.707 -177.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.5 mt 44.24 65.8 5.6 Favored Pre-proline 0 CA--C 1.555 1.142 0 C-N-CA 126.341 1.856 . . . . 0.0 114.806 -179.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -51.17 -28.64 26.3 Favored 'Trans proline' 0 CA--C 1.555 1.539 0 N-CA-C 119.196 2.729 . . . . 0.0 119.196 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -76.12 -160.83 0.12 Allowed 'Trans proline' 0 CA--C 1.549 1.247 0 C-N-CA 122.713 2.275 . . . . 0.0 114.655 -177.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -58.07 -8.81 1.15 Allowed 'General case' 0 N--CA 1.478 0.97 0 O-C-N 120.073 -1.642 . . . . 0.0 115.009 175.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 89.3 m95 -58.67 -16.77 17.78 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.797 1.639 . . . . 0.0 114.714 171.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.6 m -117.77 1.95 7.69 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 174.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 37.4 p -94.14 2.1 56.01 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.142 0.977 . . . . 0.0 113.054 176.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 -71.8 175.16 5.98 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.284 1.034 . . . . 0.0 112.055 174.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -63.81 -36.66 84.62 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 113.083 0.771 . . . . 0.0 113.083 -169.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 44.5 mt -137.23 137.82 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.019 0.927 . . . . 0.0 110.504 170.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -128.17 133.31 48.89 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.346 1.058 . . . . 0.0 109.515 168.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -135.57 150.55 49.74 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.473 1.109 . . . . 0.0 111.181 174.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -120.3 112.58 19.21 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 122.049 0.928 . . . . 0.0 111.616 173.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.426 ' CE2' ' HB3' ' A' ' 122' ' ' ARG . 37.3 m0 -100.25 78.32 2.04 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 126.087 1.755 . . . . 0.0 109.894 -174.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -73.87 118.94 17.41 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.028 0.531 . . . . 0.0 110.333 -178.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 81.0 mt -135.26 171.18 14.8 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.486 1.914 . . . . 0.0 110.095 177.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -68.43 177.61 2.31 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.622 0.769 . . . . 0.0 112.516 176.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -117.92 98.25 51.41 Favored Pre-proline 0 CA--C 1.548 0.882 0 C-N-CA 124.623 1.169 . . . . 0.0 112.403 -169.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -70.41 -15.09 34.61 Favored 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 123.79 2.993 . . . . 0.0 117.265 -169.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -57.57 113.46 1.81 Allowed 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 119.571 1.078 . . . . 0.0 112.236 -176.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.33 15.02 81.79 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 123.861 0.743 . . . . 0.0 114.036 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -88.37 -105.73 0.08 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.33 1.052 . . . . 0.0 110.742 177.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 67.0 m -154.35 156.54 37.08 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.939 2.096 . . . . 0.0 109.365 -176.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 67.5 mt -62.36 -34.63 77.04 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.377 -0.827 . . . . 0.0 112.249 178.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -58.44 -37.37 75.28 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.573 0.749 . . . . 0.0 112.211 172.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 56.7 t -74.08 -38.57 49.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 O-C-N 122.047 -0.408 . . . . 0.0 110.515 178.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -60.19 -46.89 88.18 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 118.21 0.459 . . . . 0.0 111.299 170.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 59.3 mtp85 -60.28 -39.54 87.25 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.967 1.307 . . . . 0.0 112.162 176.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 56.0 m -64.33 -38.66 91.83 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.575 1.15 . . . . 0.0 112.093 176.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 53.6 t -72.92 -50.16 34.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 O-C-N 121.685 -0.635 . . . . 0.0 111.209 172.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -46.6 -52.09 14.3 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 126.645 1.978 . . . . 0.0 112.096 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -59.73 -42.29 97.9 Favored Glycine 0 N--CA 1.473 1.13 0 C-N-CA 123.796 0.712 . . . . 0.0 113.725 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -72.82 -36.62 67.54 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.226 -1.161 . . . . 0.0 112.032 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 41.1 t -66.37 -41.8 89.46 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 O-C-N 121.023 -1.048 . . . . 0.0 110.787 172.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -56.73 -46.78 81.12 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.34 1.056 . . . . 0.0 110.924 171.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -56.67 -52.79 63.56 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.083 0.553 . . . . 0.0 111.835 174.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.489 ' HA ' HD21 ' A' ' 125' ' ' ASN . 24.5 mmm180 -60.88 -36.44 79.19 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 118.302 -0.856 . . . . 0.0 111.376 -176.392 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 52.3 t -65.71 -54.7 24.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-O 117.621 -1.181 . . . . 0.0 113.962 169.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -58.71 -36.18 73.85 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 121.062 1.755 . . . . 0.0 112.056 -178.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.489 HD21 ' HA ' ' A' ' 122' ' ' ARG . 0.0 OUTLIER -77.32 -26.78 52.49 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 179.336 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 56.2 tp -73.91 -51.5 15.94 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 124.367 1.067 . . . . 0.0 112.876 170.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 11.2 pt -62.24 -29.62 47.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 CA-C-N 119.54 1.064 . . . . 0.0 111.958 -174.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.96 -23.08 66.53 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 176.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -96.44 -32.89 12.1 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 114.973 1.471 . . . . 0.0 114.973 175.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.275 1.8 pp -101.1 -5.93 9.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 N-CA-C 117.14 2.274 . . . . 0.0 117.14 -177.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 48.3 m . . . . . 0 C--O 1.254 1.323 0 CA-C-N 120.504 1.502 . . . . 0.0 113.012 177.544 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.459 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 15.6 ttt . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 119.624 -0.227 . . . . 0.0 111.436 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 42.7 mttm -130.33 163.91 25.79 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 125.451 1.5 . . . . 0.0 112.355 174.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.418 ' HB2' ' HE2' ' A' ' 3' ' ' LYS . 1.5 mppt? -104.99 137.12 43.22 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.606 1.162 . . . . 0.0 111.216 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.5 t -124.21 138.84 52.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 124.571 1.148 . . . . 0.0 109.721 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 5.4 tpp -131.76 133.43 44.76 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.708 0.803 . . . . 0.0 110.035 -177.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -104.48 140.86 37.34 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.609 0.764 . . . . 0.0 111.763 -176.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.3 t -122.12 127.64 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 126.68 1.992 . . . . 0.0 110.28 174.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 40.4 t -126.76 172.08 10.65 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.906 1.683 . . . . 0.0 108.8 169.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.1 ttpp -61.27 -52.42 64.81 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 119.245 0.93 . . . . 0.0 111.744 -175.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.337 0.2 OUTLIER -120.91 9.46 10.64 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 117.312 2.338 . . . . 0.0 117.312 175.879 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 54.23 27.81 8.34 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 116.012 1.856 . . . . 0.0 116.012 178.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.4 p -87.4 -38.5 16.11 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.507 1.523 . . . . 0.0 111.946 174.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.5 t -139.95 -176.67 4.67 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.779 1.632 . . . . 0.0 110.693 -176.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 77.5 mtm180 57.71 -80.34 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 126.892 2.077 . . . . 0.0 113.178 -174.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 56.8 p -45.72 -42.97 12.42 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 127.251 2.22 . . . . 0.0 114.453 176.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -71.38 -36.48 71.43 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 121.777 -0.577 . . . . 0.0 111.086 -178.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 54.8 mtm -73.66 -30.63 63.03 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 121.149 -0.969 . . . . 0.0 112.002 173.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.8 97.96 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.959 0.904 . . . . 0.0 111.563 171.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -62.81 -41.17 99.19 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 119.134 -0.46 . . . . 0.0 111.532 170.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.65 -47.91 68.35 Favored Glycine 0 N--CA 1.474 1.181 0 C-N-CA 125.007 1.289 . . . . 0.0 114.513 174.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -70.86 -44.72 65.8 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 118.801 1.301 . . . . 0.0 112.116 175.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.73 -38.84 90.26 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -177.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -67.84 -25.56 65.61 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 119.755 1.161 . . . . 0.0 113.155 178.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.3 m -86.07 -55.98 3.68 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.381 1.472 . . . . 0.0 112.757 175.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 71.4 mt -82.63 -22.43 34.71 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.342 1.457 . . . . 0.0 112.655 -172.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -102.1 8.76 55.94 Favored Glycine 0 CA--C 1.53 0.996 0 C-N-CA 126.609 2.052 . . . . 0.0 114.324 174.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.34 112.84 0.75 Allowed 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 119.728 1.764 . . . . 0.0 112.561 -179.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.21 -22.23 8.82 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 124.776 1.179 . . . . 0.0 114.34 -178.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 1' ' ' MET . 34.8 mtpt -75.7 -39.03 58.1 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.98 1.312 . . . . 0.0 111.019 169.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.4 pp -142.68 171.31 10.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 125.178 1.391 . . . . 0.0 112.326 -176.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -126.09 142.15 51.64 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.869 1.268 . . . . 0.0 108.633 168.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.08 148.39 27.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 N-CA-C 114.749 1.389 . . . . 0.0 114.749 -169.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.6 m -137.95 146.15 42.87 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.281 1.433 . . . . 0.0 109.963 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.2 t -115.13 136.37 53.19 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.745 1.218 . . . . 0.0 112.247 176.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 12.0 p -150.53 -177.94 6.26 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.471 1.108 . . . . 0.0 112.75 177.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -155.11 166.06 32.44 Favored Glycine 0 N--CA 1.465 0.602 0 O-C-N 120.401 -1.437 . . . . 0.0 112.388 171.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.417 ' H ' HD23 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -67.57 -12.19 59.81 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 118.341 1.07 . . . . 0.0 113.256 174.083 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -136.91 166.75 22.9 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 127.876 2.47 . . . . 0.0 107.808 169.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.0 p -135.8 118.06 15.6 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.211 -0.93 . . . . 0.0 112.81 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.3 t -141.74 146.25 35.78 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 126.168 1.787 . . . . 0.0 110.107 169.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -31.43 140.93 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 129.472 3.109 . . . . 0.0 115.669 -174.581 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.6 t -54.86 130.58 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 172.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -65.42 123.79 85.35 Favored Pre-proline 0 C--O 1.234 0.256 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 178.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.76 -22.52 31.98 Favored 'Trans proline' 0 CA--C 1.54 0.797 0 CA-C-N 120.212 1.111 . . . . 0.0 112.014 -168.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 55.9 m -68.04 -27.71 66.76 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.065 -1.022 . . . . 0.0 111.842 171.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.62 98.99 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 120.431 -1.418 . . . . 0.0 111.83 173.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mp -56.21 -49.16 77.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 171.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.68 -36.44 82.9 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 -177.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 10.3 mmt -76.27 -29.65 57.52 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 123.938 0.895 . . . . 0.0 111.703 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 84.6 mmm -74.51 -30.59 61.86 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.163 0.892 . . . . 0.0 111.789 169.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -66.94 -25.28 66.27 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.739 -1.226 . . . . 0.0 112.905 174.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -62.61 -28.15 69.69 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 119.876 1.216 . . . . 0.0 112.835 174.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.0 m -102.13 10.28 8.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 125.632 1.573 . . . . 0.0 112.524 176.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.66 23.03 78.63 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.991 1.281 . . . . 0.0 115.424 176.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 71.1 mt -109.16 142.19 22.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 125.389 1.476 . . . . 0.0 110.055 -178.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -111.42 121.5 45.36 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.012 0.925 . . . . 0.0 112.892 -176.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.5 pt -126.28 23.32 3.16 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 C-N-CA 125.182 1.393 . . . . 0.0 111.885 169.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 95.9 p -78.16 -24.76 47.16 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 120.786 -1.196 . . . . 0.0 113.416 179.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -85.65 13.09 57.4 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 125.376 1.465 . . . . 0.0 115.281 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -127.62 163.38 24.35 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.221 1.511 . . . . 0.0 112.113 -178.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 37.1 p -137.27 170.39 16.16 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 127.375 2.27 . . . . 0.0 108.174 -169.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.1 p -85.14 147.18 26.75 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 177.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -143.38 145.44 32.02 Favored Pre-proline 0 CA--C 1.55 0.972 0 C-N-CA 124.024 0.929 . . . . 0.0 113.232 177.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -86.6 146.99 8.4 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 123.406 2.737 . . . . 0.0 113.446 -173.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.7 tt -54.88 -34.21 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 127.061 2.145 . . . . 0.0 111.849 177.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -59.25 -26.57 65.02 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.495 1.518 . . . . 0.0 114.081 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.51 -13.09 38.19 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 179.239 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -98.25 170.58 8.78 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.894 1.278 . . . . 0.0 113.519 -169.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -122.56 85.36 2.4 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.323 1.449 . . . . 0.0 112.188 -169.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.79 -35.09 42.74 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -178.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -55.87 -26.53 47.45 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.049 1.74 . . . . 0.0 114.488 -178.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -83.79 -31.6 25.81 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 175.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -79.33 108.45 12.86 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.566 0.746 . . . . 0.0 109.288 -172.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -51.2 -36.46 41.57 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.678 0.791 . . . . 0.0 111.291 174.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 38.6 t -133.56 138.5 50.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 C-N-CA 124.227 1.011 . . . . 0.0 111.235 -178.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 52.0 t -123.76 137.2 57.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.225 1.01 . . . . 0.0 110.518 173.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 29.7 mm -129.46 111.1 21.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 124.365 1.066 . . . . 0.0 110.942 -171.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.7 t -84.7 145.74 27.79 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.666 -0.646 . . . . 0.0 109.329 168.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.9 mp -130.71 21.56 5.05 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.465 1.106 . . . . 0.0 111.003 169.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 72.4 m -70.35 -40.82 73.85 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 115.208 1.558 . . . . 0.0 115.208 -168.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 93.19 -151.63 20.51 Favored Glycine 0 CA--C 1.533 1.208 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 -169.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 13.2 t -64.82 154.03 38.28 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 123.827 0.851 . . . . 0.0 112.51 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 86.28 2.04 85.77 Favored Glycine 0 CA--C 1.534 1.269 0 N-CA-C 115.806 1.082 . . . . 0.0 115.806 174.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 81.1 t -134.06 133.41 55.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 CA-C-N 118.95 1.375 . . . . 0.0 113.197 -175.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -142.45 156.8 45.21 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.739 2.416 . . . . 0.0 107.518 169.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 79.0 mt -118.59 67.83 7.64 Favored Pre-proline 0 N--CA 1.476 0.833 0 C-N-CA 124.675 1.19 . . . . 0.0 111.487 -176.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -59.37 -16.63 35.97 Favored 'Trans proline' 0 CA--C 1.556 1.597 0 N-CA-C 118.809 2.58 . . . . 0.0 118.809 -174.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -74.39 -159.46 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 CA-C-N 123.603 2.322 . . . . 0.0 114.4 175.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -53.06 -14.56 0.63 Allowed 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.772 1.629 . . . . 0.0 115.159 172.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -59.51 -17.03 28.5 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.08 1.752 . . . . 0.0 115.198 173.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 34.0 m -119.86 2.57 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 174.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 43.0 p -90.37 1.11 56.92 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.893 0.877 . . . . 0.0 112.988 176.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 70.6 mm-40 -74.36 176.07 7.08 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.184 0.994 . . . . 0.0 112.196 178.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -65.68 -37.49 86.64 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.67 -0.644 . . . . 0.0 112.706 -169.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 46.7 mt -136.67 136.13 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 123.96 0.904 . . . . 0.0 109.973 169.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -124.35 135.12 53.08 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.251 1.021 . . . . 0.0 109.623 169.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -129.33 156.48 43.96 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.096 0.958 . . . . 0.0 112.022 175.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -137.26 80.59 1.82 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.809 1.244 . . . . 0.0 109.668 178.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 29.2 m95 -82.68 79.84 8.96 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.74 0.781 . . . . 0.0 110.263 -178.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -64.52 127.7 32.62 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.31 0.644 . . . . 0.0 111.187 -176.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 76.6 mt -140.44 166.01 25.88 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 126.154 1.782 . . . . 0.0 110.15 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -71.77 167.14 20.56 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.121 0.968 . . . . 0.0 111.935 173.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -105.47 111.51 64.87 Favored Pre-proline 0 CA--C 1.547 0.857 0 C-N-CA 124.257 1.023 . . . . 0.0 111.795 -177.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -72.72 -11.76 26.17 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 123.131 2.554 . . . . 0.0 117.213 -172.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -56.85 115.13 2.4 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 119.414 1.006 . . . . 0.0 112.324 -178.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.0 13.99 80.57 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 123.982 0.801 . . . . 0.0 114.467 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -88.12 -96.49 0.09 Allowed 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 118.237 1.018 . . . . 0.0 110.833 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 64.7 p -161.08 164.19 30.94 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 126.343 1.857 . . . . 0.0 110.069 175.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 67.8 mt -63.35 -36.21 82.95 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 121.579 -0.701 . . . . 0.0 111.637 174.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -59.18 -38.74 80.54 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.788 -0.57 . . . . 0.0 112.12 172.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 68.6 t -71.09 -38.25 70.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 O-C-N 121.105 -0.997 . . . . 0.0 111.695 174.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -60.22 -46.83 88.41 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.701 1.137 . . . . 0.0 111.381 171.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -62.18 -38.79 90.44 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.46 1.104 . . . . 0.0 111.831 177.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 51.8 m -62.52 -38.81 91.39 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.512 1.125 . . . . 0.0 111.897 175.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 41.3 t -73.09 -48.35 44.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 O-C-N 121.441 -0.787 . . . . 0.0 111.155 173.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -51.97 -48.84 64.18 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 126.093 1.757 . . . . 0.0 112.273 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -62.56 -37.38 94.63 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 123.486 0.565 . . . . 0.0 113.422 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -74.71 -46.32 38.4 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.895 -0.767 . . . . 0.0 111.331 176.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 93.7 t -54.16 -42.3 55.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 O-C-N 121.098 -1.001 . . . . 0.0 111.64 173.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -59.17 -56.26 24.45 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.249 1.02 . . . . 0.0 111.528 173.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -63.97 -37.72 88.43 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 118.464 0.574 . . . . 0.0 112.099 -174.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -63.69 -42.37 98.0 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 118.895 0.77 . . . . 0.0 110.252 178.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 7.5 t -63.54 -48.17 88.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-O 117.823 -1.084 . . . . 0.0 113.134 171.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -60.39 -36.26 77.68 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 121.026 1.739 . . . . 0.0 112.366 178.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.34 -23.98 60.3 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 179.083 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 50.4 tp -84.89 -51.02 7.03 Favored 'General case' 0 C--O 1.225 -0.192 0 C-N-CA 125.089 1.356 . . . . 0.0 111.286 178.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.2 pt -61.1 -33.39 55.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 CA-C-N 119.26 0.937 . . . . 0.0 111.388 -176.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.56 -19.79 65.85 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 178.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -98.78 -33.5 10.88 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 174.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.255 2.0 pp -98.68 -1.82 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 N-CA-C 116.016 1.858 . . . . 0.0 116.016 -179.208 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 40.2 m . . . . . 0 C--O 1.256 1.419 0 CA-C-N 119.743 1.156 . . . . 0.0 112.538 174.274 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.0 ttm . . . . . 0 N--CA 1.493 1.68 0 N-CA-C 111.419 0.155 . . . . 0.0 111.419 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -128.53 163.65 24.51 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 126.131 1.772 . . . . 0.0 110.03 169.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -108.93 141.4 41.06 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.223 1.009 . . . . 0.0 111.734 -174.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.7 t -120.71 137.79 53.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 123.993 0.917 . . . . 0.0 110.458 175.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 5.1 tpp -124.87 131.13 53.47 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 124.203 1.001 . . . . 0.0 110.439 176.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -105.79 124.58 49.8 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 125.003 1.321 . . . . 0.0 110.695 -176.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.4 t -104.88 131.42 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 125.86 1.664 . . . . 0.0 110.415 174.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 39.7 t -130.81 169.82 15.21 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.246 1.019 . . . . 0.0 109.326 169.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -62.79 -46.43 88.05 Favored 'General case' 0 N--CA 1.485 1.281 0 O-C-N 120.973 -1.079 . . . . 0.0 113.402 -169.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.317 0.1 OUTLIER -124.41 19.09 8.91 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 174.256 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 47.54 43.48 16.07 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 127.751 2.42 . . . . 0.0 115.45 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.2 p -98.14 -48.32 5.15 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 -169.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 14.5 p -134.28 -67.78 0.57 Allowed 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 -169.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 71.6 mtm180 -56.42 -47.62 78.67 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 124.432 1.093 . . . . 0.0 113.705 -169.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.9 p -69.86 -33.22 71.96 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.231 1.012 . . . . 0.0 112.584 176.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -70.74 -37.9 73.48 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 121.685 -0.634 . . . . 0.0 111.098 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 32.6 mtt -64.62 -37.02 86.14 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.152 0.981 . . . . 0.0 112.194 169.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.68 -44.72 85.36 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.875 -0.515 . . . . 0.0 111.229 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -60.87 -43.29 98.6 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 119.124 -0.465 . . . . 0.0 110.917 169.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.65 -44.97 69.11 Favored Glycine 0 N--CA 1.471 1.007 0 C-N-CA 124.598 1.094 . . . . 0.0 115.026 176.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -79.5 -42.85 24.3 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 118.775 1.287 . . . . 0.0 111.373 178.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.66 -39.77 94.27 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 119.259 0.936 . . . . 0.0 112.583 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -66.36 -23.85 66.41 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-N 119.328 0.967 . . . . 0.0 113.349 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.2 m -90.06 -50.53 5.96 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.73 1.612 . . . . 0.0 112.441 177.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 74.1 mt -84.03 -29.34 26.99 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.756 1.222 . . . . 0.0 112.348 -171.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -98.8 12.74 62.62 Favored Glycine 0 CA--C 1.532 1.094 0 C-N-CA 126.514 2.007 . . . . 0.0 114.303 173.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.74 113.57 1.03 Allowed 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.294 1.038 . . . . 0.0 113.15 -174.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.09 -7.78 76.48 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.207 0.908 . . . . 0.0 114.561 175.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -103.94 -28.58 11.48 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.225 1.41 . . . . 0.0 112.864 169.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -128.2 173.67 12.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 123.636 0.774 . . . . 0.0 112.906 170.424 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.74 141.95 47.74 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.52 1.128 . . . . 0.0 109.148 169.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.6 m -140.11 151.79 21.72 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 -169.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.1 m -141.29 149.33 41.12 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.079 1.351 . . . . 0.0 110.431 -177.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.2 t -116.83 137.9 51.88 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.912 1.685 . . . . 0.0 111.475 173.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 14.0 p -150.7 -177.73 6.16 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.308 1.443 . . . . 0.0 112.498 174.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -152.22 163.84 30.33 Favored Glycine 0 N--CA 1.466 0.649 0 O-C-N 119.897 -1.752 . . . . 0.0 113.266 171.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.467 HD21 ' H ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -64.75 -16.51 63.08 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 121.823 -0.81 . . . . 0.0 112.687 172.253 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -140.4 167.59 21.8 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 127.126 2.17 . . . . 0.0 107.819 168.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.3 m -152.76 138.64 18.04 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 120.968 -1.083 . . . . 0.0 112.198 -177.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.1 t -134.6 -74.29 0.47 Allowed 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 176.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.47 156.41 35.22 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.892 1.277 . . . . 0.0 111.996 171.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.0 t -60.49 132.08 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 169.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -65.9 124.0 86.44 Favored Pre-proline 0 CA--C 1.531 0.216 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 176.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -69.51 -24.94 30.28 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 CA-C-N 120.257 1.127 . . . . 0.0 111.861 -169.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.0 m -70.48 -28.38 64.94 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.35 -0.844 . . . . 0.0 111.943 172.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.54 -45.61 93.24 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 119.839 1.2 . . . . 0.0 111.51 173.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.1 mt -58.62 -45.97 90.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 123.479 0.711 . . . . 0.0 110.228 174.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.9 -38.02 86.78 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 178.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 21.5 mmt -73.55 -27.15 61.18 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 125.054 1.342 . . . . 0.0 112.57 178.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 83.6 mmm -78.02 -31.82 50.73 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.884 0.765 . . . . 0.0 111.281 169.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -67.1 -24.82 65.98 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.115 -0.99 . . . . 0.0 112.98 174.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -60.22 -31.56 70.28 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.714 1.143 . . . . 0.0 112.616 172.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 31.8 m -99.51 10.32 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 125.134 1.374 . . . . 0.0 112.62 177.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.2 20.74 79.28 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 124.845 1.212 . . . . 0.0 114.929 177.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 64.4 mt -105.19 140.08 24.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 125.27 1.428 . . . . 0.0 109.714 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -109.56 125.8 52.91 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.356 0.662 . . . . 0.0 112.169 179.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.1 pt -121.1 13.11 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 125.179 1.391 . . . . 0.0 112.542 169.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.4 m -63.35 -26.8 68.92 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 120.423 -1.423 . . . . 0.0 113.457 -175.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -78.9 0.42 78.38 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 124.917 1.246 . . . . 0.0 114.932 175.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -88.47 166.15 14.41 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.415 1.607 . . . . 0.0 110.78 175.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.7 p -146.5 157.63 43.77 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 128.582 2.753 . . . . 0.0 105.455 -174.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 49.1 m -80.07 129.33 34.41 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 119.48 -0.888 . . . . 0.0 109.709 169.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -137.4 136.92 21.1 Favored Pre-proline 0 CA--C 1.544 0.727 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -178.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -80.5 143.86 15.55 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.837 2.358 . . . . 0.0 113.541 -170.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.6 tt -54.23 -35.53 30.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 126.485 1.914 . . . . 0.0 111.582 176.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -59.25 -24.13 62.93 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.23 1.412 . . . . 0.0 114.296 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.4 -14.48 35.4 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 178.213 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -99.7 174.99 5.97 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.585 1.154 . . . . 0.0 113.692 -170.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -116.38 94.19 4.53 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.18 1.792 . . . . 0.0 112.003 -172.404 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.9 -36.48 49.0 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.546 -0.721 . . . . 0.0 112.516 175.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -57.53 -30.65 65.34 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.313 1.845 . . . . 0.0 114.549 -175.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -85.35 -28.76 25.0 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 178.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -81.6 94.68 6.97 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.504 0.722 . . . . 0.0 109.959 -175.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -48.02 -34.87 10.07 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.014 1.325 . . . . 0.0 112.15 178.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 40.6 t -127.12 138.34 55.13 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 C-N-CA 124.15 0.98 . . . . 0.0 111.134 173.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 76.0 t -122.25 138.39 52.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.848 0.859 . . . . 0.0 109.972 169.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 27.7 mm -126.16 130.74 72.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 C-N-CA 124.282 1.033 . . . . 0.0 109.428 -178.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.4 t -97.65 137.16 36.97 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 118.762 0.71 . . . . 0.0 110.571 169.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.6 mp -131.58 41.84 3.25 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 126.027 1.731 . . . . 0.0 109.611 177.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 62.0 m -93.76 -40.24 10.32 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.673 0.789 . . . . 0.0 113.119 -173.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 104.87 -145.14 15.89 Favored Glycine 0 CA--C 1.535 1.317 0 N-CA-C 110.117 -1.193 . . . . 0.0 110.117 -169.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 85.4 m -69.21 158.27 35.29 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 117.645 0.722 . . . . 0.0 112.17 172.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.42 1.54 74.72 Favored Glycine 0 CA--C 1.536 1.39 0 N-CA-C 116.516 1.366 . . . . 0.0 116.516 171.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 55.5 t -134.99 125.73 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 CA-C-N 119.04 1.42 . . . . 0.0 111.212 -176.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 62.1 m-80 -132.32 1.77 3.82 Favored 'General case' 0 CA--C 1.554 1.101 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 177.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 71.1 mt 42.27 66.95 3.69 Favored Pre-proline 0 CA--C 1.556 1.19 0 C-N-CA 126.347 1.859 . . . . 0.0 114.786 -177.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -50.98 -29.37 27.13 Favored 'Trans proline' 0 CA--C 1.555 1.549 0 C-N-CA 123.322 2.681 . . . . 0.0 118.965 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -75.6 -160.89 0.11 Allowed 'Trans proline' 0 CA--C 1.546 1.092 0 C-N-CA 122.726 2.284 . . . . 0.0 115.143 -176.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -57.72 -9.46 1.23 Allowed 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.618 1.567 . . . . 0.0 115.001 174.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -61.4 -14.95 31.96 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.671 1.588 . . . . 0.0 115.075 172.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.6 m -116.1 0.92 8.32 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 124.535 1.134 . . . . 0.0 113.97 173.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 43.0 p -94.01 4.6 53.67 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.435 1.094 . . . . 0.0 113.378 178.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -75.28 179.14 5.32 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.956 1.302 . . . . 0.0 111.824 177.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -64.56 -37.91 89.2 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 121.444 -0.785 . . . . 0.0 112.622 -170.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 27.0 mt -137.67 137.85 44.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 123.719 0.808 . . . . 0.0 110.457 169.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -128.49 135.45 49.46 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.167 0.987 . . . . 0.0 109.39 168.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -135.78 153.64 51.47 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.083 0.953 . . . . 0.0 111.41 174.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -123.21 116.19 22.98 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.945 0.898 . . . . 0.0 111.576 172.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 41.8 m0 -106.46 83.57 1.89 Allowed 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 126.368 1.867 . . . . 0.0 109.348 -175.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -79.27 74.94 5.84 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.147 0.979 . . . . 0.0 111.467 -174.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 84.9 mt -86.74 161.66 18.28 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.666 1.186 . . . . 0.0 109.625 172.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -69.14 160.79 30.43 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.646 0.736 . . . . 0.0 110.938 173.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -102.54 113.52 65.84 Favored Pre-proline 0 CA--C 1.547 0.864 0 CA-C-O 118.861 -0.59 . . . . 0.0 111.854 -175.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -73.51 -8.13 21.24 Favored 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 123.027 2.485 . . . . 0.0 116.957 -171.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -57.46 112.16 1.33 Allowed 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.292 0.951 . . . . 0.0 112.143 -178.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.44 14.85 80.64 Favored Glycine 0 CA--C 1.538 1.479 0 CA-C-O 119.044 -0.864 . . . . 0.0 114.556 -178.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -88.41 -95.68 0.09 Allowed 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 118.653 1.227 . . . . 0.0 110.803 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 59.4 p -160.16 164.29 33.01 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 126.445 1.898 . . . . 0.0 110.119 174.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 51.8 mt -64.85 -34.3 78.06 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.675 -0.641 . . . . 0.0 111.744 175.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -61.29 -38.6 87.36 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.328 0.651 . . . . 0.0 112.18 171.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 65.4 t -70.04 -39.27 77.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 O-C-N 121.153 -0.967 . . . . 0.0 111.591 173.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -58.48 -48.46 80.69 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.634 1.107 . . . . 0.0 111.43 171.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 63.8 mtp85 -60.18 -39.1 85.3 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.959 1.304 . . . . 0.0 112.035 177.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 62.0 m -64.05 -37.76 88.62 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.714 1.206 . . . . 0.0 112.189 176.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 53.4 t -78.95 -44.0 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 123.808 0.843 . . . . 0.0 111.402 176.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -50.81 -48.96 59.57 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 126.511 1.924 . . . . 0.0 112.404 179.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -63.26 -36.45 93.43 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 123.642 0.639 . . . . 0.0 113.315 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -75.21 -39.2 60.3 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 117.868 0.834 . . . . 0.0 112.159 177.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 94.9 t -58.28 -47.96 86.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 O-C-N 121.407 -0.808 . . . . 0.0 110.531 169.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -57.28 -53.91 52.78 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.581 1.152 . . . . 0.0 111.871 175.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -61.37 -35.38 77.31 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.739 1.154 . . . . 0.0 111.968 -178.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 36.9 mtt180 -70.82 -41.66 71.25 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 116.998 -1.477 . . . . 0.0 112.996 175.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 30.8 m -63.8 -39.74 86.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-N 121.296 1.862 . . . . 0.0 113.1 171.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -62.6 -41.83 99.21 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 120.085 1.311 . . . . 0.0 111.811 175.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -31.76 72.4 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 177.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 54.4 tp -76.13 -48.99 18.57 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.821 0.848 . . . . 0.0 112.15 179.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 10.3 pt -63.17 -29.58 47.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-N 119.501 1.046 . . . . 0.0 112.555 -176.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.45 -20.04 63.77 Favored 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 174.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -86.74 -44.79 11.51 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.804 1.242 . . . . 0.0 112.892 173.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.293 1.4 pp -101.46 -0.3 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 N-CA-C 116.637 2.088 . . . . 0.0 116.637 -169.459 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 63.7 p . . . . . 0 C--O 1.255 1.348 0 CA-C-N 120.101 1.319 . . . . 0.0 113.732 175.111 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.458 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 17.6 ttt . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 119.652 -0.213 . . . . 0.0 111.328 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -130.55 166.2 21.1 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 125.5 1.52 . . . . 0.0 111.612 173.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -104.4 139.52 39.23 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.746 1.218 . . . . 0.0 111.239 -177.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.6 t -125.63 141.66 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 124.476 1.11 . . . . 0.0 110.23 179.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 7.1 tpp -134.61 134.61 41.42 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.878 0.871 . . . . 0.0 110.459 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -110.16 119.59 39.74 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.525 1.13 . . . . 0.0 111.667 -174.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.7 t -96.08 138.18 22.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 126.423 1.889 . . . . 0.0 111.157 173.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.3 t -136.45 173.58 11.55 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.874 1.669 . . . . 0.0 108.481 169.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.83 -45.74 73.8 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.217 -1.552 . . . . 0.0 112.169 -174.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.271 0.2 OUTLIER -125.73 10.54 7.76 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 116.707 2.114 . . . . 0.0 116.707 177.103 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.269 9.2 t-20 46.68 32.39 1.7 Allowed 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 128.861 2.864 . . . . 0.0 115.999 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.3 p -86.04 -40.18 16.05 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.566 1.546 . . . . 0.0 112.681 175.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.2 p -138.6 175.6 9.42 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 126.964 2.106 . . . . 0.0 110.835 -170.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.2 mtm-85 55.46 -78.35 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 126.909 2.084 . . . . 0.0 113.953 -171.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.8 p -48.38 -40.31 25.26 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 126.772 2.029 . . . . 0.0 114.499 179.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -67.46 -38.93 85.19 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.519 0.728 . . . . 0.0 111.742 176.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.3 mtp -72.84 -33.55 66.23 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.747 1.219 . . . . 0.0 111.459 176.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.47 -44.45 96.36 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.907 0.883 . . . . 0.0 111.517 171.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.49 -41.13 93.65 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.476 0.71 . . . . 0.0 111.858 170.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.91 -49.88 73.57 Favored Glycine 0 N--CA 1.471 0.987 0 C-N-CA 124.269 0.937 . . . . 0.0 114.431 173.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -67.64 -44.25 78.4 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.965 1.382 . . . . 0.0 111.661 176.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.69 -39.27 88.02 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.018 0.748 . . . . 0.0 113.018 -176.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.5 pttt -67.82 -26.7 66.19 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 119.974 1.261 . . . . 0.0 113.225 178.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.9 m -84.42 -55.81 3.96 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.294 1.438 . . . . 0.0 112.533 177.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 72.0 mt -81.74 -26.56 34.43 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.314 1.446 . . . . 0.0 112.328 -174.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -99.62 9.3 60.46 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 126.43 1.967 . . . . 0.0 114.553 176.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.92 113.73 0.85 Allowed 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 119.919 1.859 . . . . 0.0 112.651 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.86 -20.81 5.17 Favored Glycine 0 CA--C 1.539 1.592 0 C-N-CA 125.212 1.387 . . . . 0.0 115.087 -177.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.458 ' O ' ' HA ' ' A' ' 1' ' ' MET . 33.4 mtpt -74.94 -37.68 61.94 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.276 1.43 . . . . 0.0 110.374 169.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.5 pp -143.81 172.17 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 125.624 1.57 . . . . 0.0 113.3 177.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -125.51 142.42 51.51 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.457 1.503 . . . . 0.0 108.033 168.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.38 154.19 29.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 N-CA-C 115.601 1.704 . . . . 0.0 115.601 -169.118 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.7 m -146.87 155.22 42.15 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.34 1.856 . . . . 0.0 109.225 176.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 77.6 p -127.47 150.32 49.71 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 120.628 -1.295 . . . . 0.0 111.657 169.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 17.2 p -153.28 -177.35 6.27 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.331 1.452 . . . . 0.0 110.532 -179.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -152.5 167.18 31.39 Favored Glycine 0 C--O 1.223 -0.537 0 O-C-N 120.518 -1.364 . . . . 0.0 112.295 170.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.7 -14.83 60.1 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 118.884 1.342 . . . . 0.0 112.617 173.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -139.54 167.76 21.35 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 127.208 2.203 . . . . 0.0 109.183 169.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.9 p -120.95 152.51 38.43 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.356 1.462 . . . . 0.0 110.555 169.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.3 p -135.03 -84.37 0.41 Allowed 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.217 1.007 . . . . 0.0 111.847 174.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -158.75 146.42 17.87 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 128.253 2.621 . . . . 0.0 109.012 175.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.98 132.9 27.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 CA-C-N 119.639 1.108 . . . . 0.0 109.475 169.76 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -74.41 127.96 86.7 Favored Pre-proline 0 CA--C 1.536 0.414 0 CA-C-O 118.982 -0.533 . . . . 0.0 110.95 -173.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -72.84 -26.39 15.76 Favored 'Trans proline' 0 CA--C 1.538 0.679 0 CA-C-N 120.311 1.147 . . . . 0.0 112.37 -170.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.1 m -76.86 -27.84 55.2 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 121.364 -0.835 . . . . 0.0 111.45 175.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.19 -47.54 81.0 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 120.912 -1.118 . . . . 0.0 111.784 170.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.5 mt -56.89 -47.14 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 123.508 0.723 . . . . 0.0 110.238 175.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.52 -38.39 84.24 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 112.743 0.645 . . . . 0.0 112.743 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 8.7 mmt -77.69 -26.88 50.57 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.321 1.048 . . . . 0.0 112.15 -179.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 84.2 mmm -77.77 -29.74 51.09 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 118.918 0.781 . . . . 0.0 111.484 169.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -68.23 -23.48 64.81 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.033 -1.042 . . . . 0.0 112.888 175.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -61.33 -28.8 69.47 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 119.979 1.263 . . . . 0.0 112.933 173.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.1 p -103.95 10.02 8.94 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 C-N-CA 126.413 1.885 . . . . 0.0 111.647 178.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.14 18.7 79.79 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 124.841 1.21 . . . . 0.0 115.097 174.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 69.7 mt -103.64 132.0 50.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.989 1.316 . . . . 0.0 109.962 -177.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -98.8 124.79 43.9 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.94 0.896 . . . . 0.0 111.522 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.2 pt -125.23 25.13 3.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.135 0.974 . . . . 0.0 111.695 169.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.7 m -77.41 -29.25 52.99 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.563 1.145 . . . . 0.0 112.475 178.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -80.78 11.41 40.86 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 125.475 1.512 . . . . 0.0 115.332 178.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -134.26 153.49 51.83 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.071 1.748 . . . . 0.0 109.829 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.7 t -147.36 -176.33 5.19 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 124.134 0.974 . . . . 0.0 110.452 179.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.0 p -84.35 132.84 34.56 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 -169.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -140.08 147.09 49.2 Favored Pre-proline 0 CA--C 1.55 0.978 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 -177.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -87.49 146.4 7.2 Favored 'Trans proline' 0 CA--C 1.544 0.983 0 C-N-CA 123.634 2.889 . . . . 0.0 114.366 -170.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.9 tt -57.05 -36.1 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 127.536 2.334 . . . . 0.0 112.263 -177.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -69.73 -11.13 60.61 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.803 1.408 . . . . 0.0 114.803 -177.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -92.99 -12.31 31.02 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 170.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -99.64 174.03 6.43 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.13 1.372 . . . . 0.0 113.51 -170.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -124.49 86.27 2.54 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.342 1.457 . . . . 0.0 112.969 -169.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.33 -33.2 41.61 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -178.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -57.02 -27.37 61.56 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.291 1.436 . . . . 0.0 114.155 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -96.15 2.78 53.4 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 177.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -107.91 97.76 7.43 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.055 0.942 . . . . 0.0 108.576 176.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -51.75 -35.44 43.45 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.404 0.681 . . . . 0.0 111.787 178.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 47.4 t -124.49 138.25 54.6 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 C-N-CA 124.522 1.129 . . . . 0.0 110.648 173.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 44.8 t -121.51 137.55 54.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 123.987 0.915 . . . . 0.0 109.827 169.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 27.4 mm -122.23 131.17 73.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 C-N-CA 124.475 1.11 . . . . 0.0 109.643 -178.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.0 m -97.18 139.38 33.24 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.282 0.633 . . . . 0.0 109.842 168.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.4 mp -127.82 46.15 2.61 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 125.56 1.544 . . . . 0.0 109.118 176.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 80.2 m -118.74 127.4 53.52 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 127.132 2.173 . . . . 0.0 110.098 -177.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -64.69 81.02 0.06 OUTLIER Glycine 0 CA--C 1.537 1.407 0 C-N-CA 125.733 1.635 . . . . 0.0 115.275 179.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 4.5 t 63.36 -28.62 0.08 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 129.336 3.054 . . . . 0.0 119.006 169.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -75.8 10.53 13.2 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 124.829 1.204 . . . . 0.0 115.473 -177.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 60.2 t -138.96 136.12 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 126.571 1.948 . . . . 0.0 110.296 -169.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -136.8 -3.29 2.06 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 116.381 1.993 . . . . 0.0 116.381 -175.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.9 mt 44.36 66.62 4.76 Favored Pre-proline 0 CA--C 1.555 1.166 0 C-N-CA 125.951 1.7 . . . . 0.0 114.979 -178.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -50.82 -29.3 25.96 Favored 'Trans proline' 0 CA--C 1.554 1.513 0 C-N-CA 123.496 2.797 . . . . 0.0 119.151 178.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -76.84 -160.33 0.11 Allowed 'Trans proline' 0 CA--C 1.548 1.2 0 C-N-CA 122.662 2.241 . . . . 0.0 114.926 -176.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -54.16 -11.34 0.46 Allowed 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 126.324 1.85 . . . . 0.0 115.3 173.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 88.1 m95 -60.5 -16.69 39.48 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.681 1.592 . . . . 0.0 114.839 173.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 32.9 m -117.31 3.21 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 174.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 43.3 p -94.21 4.03 54.44 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.334 1.054 . . . . 0.0 112.931 177.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 75.5 mm-40 -75.74 177.3 6.98 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.612 1.165 . . . . 0.0 111.817 177.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -65.44 -38.74 90.77 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 121.209 -0.932 . . . . 0.0 112.798 -169.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 41.6 mt -134.34 139.38 48.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 124.196 0.998 . . . . 0.0 110.308 170.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -130.18 131.22 45.51 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.454 1.102 . . . . 0.0 109.513 168.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -133.45 153.49 51.57 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.805 1.242 . . . . 0.0 111.204 176.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -127.4 101.32 6.4 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.146 0.979 . . . . 0.0 111.241 -178.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 35.5 m0 -95.08 86.4 4.59 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.923 1.689 . . . . 0.0 111.036 -174.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -77.01 117.1 18.26 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.624 0.77 . . . . 0.0 110.584 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 65.0 mt -138.59 170.29 16.26 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.748 2.019 . . . . 0.0 111.206 -178.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -62.41 172.25 1.61 Allowed 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 122.968 1.366 . . . . 0.0 113.327 175.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -119.62 92.92 46.89 Favored Pre-proline 0 CA--C 1.542 0.637 0 C-N-CA 125.664 1.586 . . . . 0.0 110.971 -175.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -70.7 -15.13 33.57 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 123.434 2.756 . . . . 0.0 116.371 -170.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -57.32 100.15 0.05 OUTLIER 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.948 1.699 . . . . 0.0 111.738 -177.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 87.16 13.62 65.79 Favored Glycine 0 CA--C 1.54 1.622 0 N-CA-C 115.578 0.991 . . . . 0.0 115.578 -176.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -90.26 -104.38 0.1 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.944 1.297 . . . . 0.0 111.557 179.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 60.6 p -155.05 164.78 38.4 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 126.727 2.011 . . . . 0.0 110.531 179.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 53.8 mt -63.48 -36.92 85.36 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 121.689 -0.632 . . . . 0.0 111.858 176.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -60.18 -39.09 85.22 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.39 0.676 . . . . 0.0 112.096 173.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 73.2 t -71.72 -37.61 63.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 O-C-N 121.258 -0.901 . . . . 0.0 111.538 174.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -60.43 -47.74 84.79 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 119.714 1.143 . . . . 0.0 111.43 171.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -61.78 -37.73 85.43 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.387 1.075 . . . . 0.0 111.932 177.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 52.6 m -63.0 -42.25 99.8 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 124.245 1.018 . . . . 0.0 112.066 176.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 60.1 t -71.58 -46.39 63.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 123.608 0.763 . . . . 0.0 112.068 172.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -53.1 -46.52 68.73 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 126.155 1.782 . . . . 0.0 112.359 -177.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -62.04 -36.68 93.25 Favored Glycine 0 N--CA 1.475 1.272 0 C-N-CA 123.128 0.394 . . . . 0.0 113.19 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -77.58 -43.92 30.16 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 121.9 -0.765 . . . . 0.0 111.517 177.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 57.5 t -56.13 -43.3 75.56 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 CA-C-N 119.39 0.995 . . . . 0.0 111.433 171.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -58.27 -56.71 18.57 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.0 0.92 . . . . 0.0 111.328 174.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -34.21 77.67 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 118.219 -0.896 . . . . 0.0 112.211 -175.51 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -61.86 -43.47 98.78 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 119.351 0.978 . . . . 0.0 110.784 174.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 20.3 t -61.6 -48.52 88.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 CA-C-O 118.399 -0.81 . . . . 0.0 113.07 170.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -60.38 -35.63 76.19 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 120.34 1.427 . . . . 0.0 112.705 178.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.74 -28.87 62.89 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 176.521 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 58.2 tp -76.88 -46.02 26.05 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.909 0.884 . . . . 0.0 112.514 176.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 7.9 pt -63.93 -26.01 39.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 CA-C-N 119.936 1.244 . . . . 0.0 112.659 179.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.8 -27.45 68.89 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 171.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 62.2 mtpt -86.12 -37.19 19.05 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.589 1.556 . . . . 0.0 113.01 -177.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.275 1.8 pp -120.18 6.27 6.43 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 N-CA-C 117.041 2.237 . . . . 0.0 117.041 -170.062 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 42.6 t . . . . . 0 C--O 1.255 1.353 0 CA-C-N 119.922 1.237 . . . . 0.0 111.26 169.517 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.464 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 16.7 ttt . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 119.535 -0.269 . . . . 0.0 111.197 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -130.47 161.62 31.02 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 125.599 1.56 . . . . 0.0 111.88 175.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -102.84 139.42 38.44 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.92 1.288 . . . . 0.0 111.237 -176.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.9 t -123.64 140.96 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.945 1.298 . . . . 0.0 110.187 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.6 tpp -135.0 132.66 38.58 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 123.66 0.784 . . . . 0.0 110.199 178.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -104.03 135.72 45.01 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.289 1.036 . . . . 0.0 111.194 -178.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.3 t -115.5 128.86 72.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 126.613 1.965 . . . . 0.0 109.61 171.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.4 t -128.51 177.57 6.91 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.841 1.257 . . . . 0.0 109.695 169.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.71 -48.09 41.73 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.43 -1.419 . . . . 0.0 112.784 -172.339 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.309 0.2 OUTLIER -120.1 11.86 11.76 Favored 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 115.929 1.825 . . . . 0.0 115.929 175.302 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 53.29 36.89 23.93 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 126.847 2.059 . . . . 0.0 114.683 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.0 p -93.83 -45.23 7.74 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 -172.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.2 p -130.74 -71.9 0.57 Allowed 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 114.536 1.309 . . . . 0.0 114.536 -169.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 96.3 mtm-85 -58.03 -48.06 81.2 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -169.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.0 p -66.37 -34.8 78.77 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.454 0.701 . . . . 0.0 112.315 176.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -71.57 -39.66 70.45 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.096 0.958 . . . . 0.0 111.427 -179.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 54.9 mtp -74.18 -31.93 62.87 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.624 1.569 . . . . 0.0 111.556 175.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.89 -42.53 97.44 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.689 0.796 . . . . 0.0 111.713 172.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -61.56 -39.28 90.54 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 118.859 -0.591 . . . . 0.0 110.832 169.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.78 -49.01 59.92 Favored Glycine 0 N--CA 1.474 1.221 0 C-N-CA 124.685 1.136 . . . . 0.0 114.515 173.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -72.93 -43.45 62.37 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 120.856 -1.379 . . . . 0.0 112.269 175.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.3 -36.82 82.31 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -176.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.6 ptmm? -65.73 -28.01 68.73 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-N 119.773 1.169 . . . . 0.0 113.027 177.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.9 m -89.47 -54.13 4.22 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.281 1.432 . . . . 0.0 112.376 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.7 mt -83.94 -24.67 30.59 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.254 1.421 . . . . 0.0 112.245 -173.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -99.2 5.46 59.17 Favored Glycine 0 CA--C 1.526 0.777 0 C-N-CA 126.237 1.875 . . . . 0.0 114.532 176.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.81 113.07 0.76 Allowed 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 120.009 1.905 . . . . 0.0 112.716 -177.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.66 -21.89 7.09 Favored Glycine 0 CA--C 1.538 1.513 0 C-N-CA 124.898 1.237 . . . . 0.0 114.774 -178.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.464 ' O ' ' HA ' ' A' ' 1' ' ' MET . 30.0 mtpt -75.95 -38.69 57.31 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.945 1.298 . . . . 0.0 110.645 169.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.4 pp -142.75 170.93 10.62 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 125.436 1.494 . . . . 0.0 112.707 -179.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -125.99 146.5 49.85 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.096 1.358 . . . . 0.0 108.507 168.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.81 149.78 25.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 N-CA-C 115.838 1.792 . . . . 0.0 115.838 -169.364 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.9 m -138.95 149.42 44.74 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.739 1.616 . . . . 0.0 109.757 174.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.3 t -118.63 137.38 53.32 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.61 1.564 . . . . 0.0 111.596 174.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 14.3 p -150.28 -177.81 6.15 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.308 1.443 . . . . 0.0 112.231 176.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -151.56 167.95 30.95 Favored Glycine 0 N--CA 1.467 0.766 0 O-C-N 120.403 -1.436 . . . . 0.0 112.436 169.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.99 -17.45 63.32 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 118.487 1.143 . . . . 0.0 112.318 172.137 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -140.07 162.17 35.87 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.963 2.105 . . . . 0.0 108.222 168.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.9 p -144.68 138.59 27.41 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.494 1.118 . . . . 0.0 111.726 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.1 t -133.93 -71.4 0.5 Allowed 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 173.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.36 159.35 38.68 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.904 1.282 . . . . 0.0 112.034 173.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.9 t -65.93 136.79 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 169.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 34.7 t-80 -65.1 122.6 80.58 Favored Pre-proline 0 CA--C 1.531 0.239 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 173.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -69.06 -23.57 33.82 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 CA-C-N 120.711 1.29 . . . . 0.0 112.17 -169.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.5 m -68.97 -25.69 64.66 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.19 -0.943 . . . . 0.0 112.29 172.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.57 -40.47 96.96 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 120.482 -1.386 . . . . 0.0 111.851 173.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -57.12 -46.06 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 173.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.25 -39.54 89.58 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.757 -0.59 . . . . 0.0 112.516 -178.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 7.6 mmt -74.92 -29.35 60.94 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.805 0.842 . . . . 0.0 112.17 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 81.1 mmm -76.22 -32.37 58.9 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 118.881 0.764 . . . . 0.0 111.335 169.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -67.83 -21.15 65.22 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 175.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -62.92 -25.65 68.43 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 120.099 1.318 . . . . 0.0 112.007 169.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.8 t -89.4 -5.8 10.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 126.11 1.764 . . . . 0.0 111.574 174.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.9 17.44 76.94 Favored Glycine 0 CA--C 1.542 1.73 0 O-C-N 120.988 -1.07 . . . . 0.0 113.41 -169.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.5 mt -95.71 126.95 48.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 124.888 1.275 . . . . 0.0 109.545 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -96.89 124.29 40.83 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.148 0.579 . . . . 0.0 112.006 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 9.5 pt -123.11 9.52 5.32 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 C-N-CA 125.25 1.42 . . . . 0.0 112.832 169.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 93.7 p -66.18 -19.26 65.78 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 120.461 -1.4 . . . . 0.0 114.431 -172.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.73 -1.07 76.56 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 124.828 1.204 . . . . 0.0 115.189 172.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -80.08 154.19 28.26 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.609 1.705 . . . . 0.0 111.87 178.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 23.9 p -145.32 142.94 29.87 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 128.232 2.613 . . . . 0.0 105.697 169.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 38.4 m -79.44 147.42 32.31 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 121.291 -0.881 . . . . 0.0 113.127 -169.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -145.83 150.47 42.96 Favored Pre-proline 0 N--CA 1.479 0.977 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -175.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -91.66 148.63 3.39 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 123.406 2.737 . . . . 0.0 113.42 -170.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.1 tt -54.2 -35.31 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 126.676 1.99 . . . . 0.0 111.975 177.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -60.34 -24.5 65.09 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.079 1.352 . . . . 0.0 114.129 -178.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -91.2 -12.77 34.34 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 178.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -96.74 169.55 9.79 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.809 1.244 . . . . 0.0 114.048 -169.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -118.47 86.34 2.52 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.205 1.402 . . . . 0.0 112.703 -169.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.27 -34.24 22.63 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -178.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -60.64 -23.73 64.99 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.165 1.386 . . . . 0.0 114.471 -176.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -99.15 3.24 46.47 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.937 0.895 . . . . 0.0 113.189 178.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -106.09 99.28 8.88 Favored 'General case' 0 N--CA 1.464 0.233 0 O-C-N 121.221 -0.924 . . . . 0.0 108.582 176.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -53.03 -35.63 59.67 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.233 0.613 . . . . 0.0 111.694 177.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 43.3 t -125.33 138.26 54.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 C-N-CA 124.345 1.058 . . . . 0.0 110.979 175.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 52.1 t -121.67 139.69 47.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.298 1.039 . . . . 0.0 110.301 170.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 23.9 mm -126.93 130.35 71.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 C-N-CA 124.383 1.073 . . . . 0.0 110.582 -174.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 37.8 t -100.45 136.99 39.47 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.714 0.806 . . . . 0.0 112.294 169.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.2 mp -135.04 45.31 2.53 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.098 1.759 . . . . 0.0 109.607 177.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 72.8 m -89.72 -18.88 25.54 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 116.405 2.002 . . . . 0.0 116.405 -168.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 80.57 47.15 6.95 Favored Glycine 0 CA--C 1.536 1.354 0 CA-C-N 118.974 0.806 . . . . 0.0 112.721 -172.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 63.4 m 61.36 177.79 0.11 Allowed 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 126.878 2.071 . . . . 0.0 114.133 -173.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 76.15 9.2 85.58 Favored Glycine 0 CA--C 1.539 1.587 0 N-CA-C 115.634 1.013 . . . . 0.0 115.634 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 97.0 t -135.97 128.92 46.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 126.021 1.728 . . . . 0.0 110.025 -177.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -130.28 -5.73 4.31 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 115.264 1.579 . . . . 0.0 115.264 -174.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 61.5 mt 43.06 66.15 4.74 Favored Pre-proline 0 N--CA 1.482 1.162 0 C-N-CA 126.217 1.807 . . . . 0.0 114.983 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -50.66 -28.75 23.34 Favored 'Trans proline' 0 CA--C 1.556 1.577 0 C-N-CA 123.634 2.889 . . . . 0.0 119.245 178.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -76.61 -160.22 0.11 Allowed 'Trans proline' 0 CA--C 1.548 1.201 0 C-N-CA 122.72 2.28 . . . . 0.0 114.627 -176.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -58.35 -9.55 1.61 Allowed 'General case' 0 N--CA 1.478 0.963 0 O-C-N 120.253 -1.529 . . . . 0.0 114.857 175.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -58.72 -16.4 16.39 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.993 1.717 . . . . 0.0 114.878 172.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.9 m -117.95 2.58 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 124.425 1.09 . . . . 0.0 113.934 173.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 35.5 p -95.34 3.55 54.31 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.397 1.079 . . . . 0.0 113.193 177.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 75.5 mm-40 -73.94 177.76 5.39 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.53 1.132 . . . . 0.0 111.863 175.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -64.21 -38.75 92.18 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.39 -0.819 . . . . 0.0 112.719 -170.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 20.2 mt -137.2 136.57 47.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 123.729 0.811 . . . . 0.0 110.475 171.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -123.38 131.15 53.56 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.111 0.964 . . . . 0.0 108.489 168.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -128.47 153.0 47.6 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.72 0.808 . . . . 0.0 111.266 174.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -130.58 122.53 27.69 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.332 0.653 . . . . 0.0 110.739 169.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 12.8 m95 -119.68 102.95 8.97 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.123 0.969 . . . . 0.0 108.99 -178.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 -91.21 115.09 27.75 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.495 0.718 . . . . 0.0 109.922 -170.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 81.7 mt -126.8 173.37 9.6 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.94 1.696 . . . . 0.0 112.241 -172.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 23.8 mp0 -64.87 166.69 8.7 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.051 1.74 . . . . 0.0 111.654 175.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -117.45 98.79 52.17 Favored Pre-proline 0 CA--C 1.543 0.684 0 C-N-CA 124.837 1.255 . . . . 0.0 111.23 -178.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -72.85 -14.27 26.7 Favored 'Trans proline' 0 C--N 1.356 0.967 0 C-N-CA 123.508 2.805 . . . . 0.0 116.247 -171.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -57.72 106.45 0.35 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.868 1.267 . . . . 0.0 111.807 -176.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 81.9 14.88 76.53 Favored Glycine 0 CA--C 1.54 1.595 0 C-N-CA 124.361 0.981 . . . . 0.0 114.95 -177.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -92.03 -101.75 0.12 Allowed 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.661 1.184 . . . . 0.0 111.354 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 66.8 p -157.68 164.52 37.08 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 126.264 1.825 . . . . 0.0 110.303 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 77.3 mt -62.72 -37.39 86.36 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.615 -0.678 . . . . 0.0 111.937 176.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -58.55 -38.06 77.02 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 121.621 -0.674 . . . . 0.0 112.512 172.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 77.8 t -73.19 -36.01 48.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 O-C-N 121.119 -0.988 . . . . 0.0 112.08 174.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -61.4 -46.03 91.84 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.574 1.079 . . . . 0.0 111.302 170.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 -62.37 -37.73 86.86 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.469 1.108 . . . . 0.0 111.869 176.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 53.3 m -61.84 -43.05 99.63 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.289 1.036 . . . . 0.0 111.922 174.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.14 -45.97 74.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 O-C-N 121.122 -0.986 . . . . 0.0 111.629 173.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 57.5 ttp180 -50.98 -49.08 60.96 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.746 1.618 . . . . 0.0 112.083 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -61.49 -37.33 93.96 Favored Glycine 0 CA--C 1.532 1.153 0 C-N-CA 123.652 0.644 . . . . 0.0 113.076 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -75.51 -48.54 22.11 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 117.724 0.762 . . . . 0.0 111.342 177.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 79.7 t -53.61 -42.84 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 O-C-N 120.876 -1.14 . . . . 0.0 111.122 174.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -57.54 -55.69 31.62 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.156 0.982 . . . . 0.0 111.489 172.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -65.74 -35.28 80.28 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -174.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -64.77 -43.66 92.54 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.51 1.05 . . . . 0.0 110.85 175.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 13.8 t -61.41 -48.99 86.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 CA-C-O 117.814 -1.089 . . . . 0.0 113.1 171.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -59.75 -35.91 75.54 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 120.835 1.652 . . . . 0.0 112.458 179.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.34 -25.46 60.62 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 178.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 43.2 tp -83.37 -47.45 11.43 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.026 1.33 . . . . 0.0 111.893 178.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 7.9 pt -64.07 -28.82 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 CA-C-N 119.23 0.923 . . . . 0.0 112.652 -176.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.94 -20.15 64.2 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 175.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -85.22 -36.94 20.65 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.561 1.145 . . . . 0.0 113.024 174.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.2 pt -108.4 1.71 9.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 N-CA-C 116.286 1.958 . . . . 0.0 116.286 -169.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 54.0 p . . . . . 0 C--O 1.256 1.42 0 C-N-CA 124.339 1.056 . . . . 0.0 113.413 173.596 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.437 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 55.2 ttm . . . . . 0 N--CA 1.488 1.448 0 N-CA-C 111.57 0.211 . . . . 0.0 111.57 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -130.02 164.14 24.96 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 126.359 1.864 . . . . 0.0 110.62 169.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -107.78 141.01 39.99 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.693 1.197 . . . . 0.0 111.636 -174.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.6 t -121.9 139.68 48.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 124.275 1.03 . . . . 0.0 109.964 178.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.8 tpp -132.27 133.85 44.58 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 123.999 0.92 . . . . 0.0 110.307 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -108.24 135.13 50.07 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.521 1.128 . . . . 0.0 111.493 -176.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.4 t -115.42 120.68 65.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 126.812 2.045 . . . . 0.0 110.01 174.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 51.1 t -118.85 171.82 7.96 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.94 1.296 . . . . 0.0 110.516 169.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.3 ttpt -67.58 -45.92 74.16 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.499 -1.376 . . . . 0.0 113.424 -171.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.301 0.2 OUTLIER -123.4 14.4 9.59 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 115.432 1.642 . . . . 0.0 115.432 174.147 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.263 6.3 t-20 47.38 34.44 3.28 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 128.531 2.732 . . . . 0.0 116.171 -177.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.2 p -95.31 -42.55 8.47 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 125.453 1.501 . . . . 0.0 112.767 177.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.0 p -121.09 174.59 6.56 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.157 1.783 . . . . 0.0 111.964 -173.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 93.2 mtm-85 55.84 -75.82 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 127.456 2.302 . . . . 0.0 114.742 176.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.8 p -44.77 -43.3 8.47 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 126.718 2.007 . . . . 0.0 113.776 174.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -70.68 -34.47 72.03 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.868 0.867 . . . . 0.0 112.233 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 38.9 mtt -70.99 -34.96 71.89 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.239 1.016 . . . . 0.0 111.899 169.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.37 -42.14 98.84 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.358 0.663 . . . . 0.0 110.962 178.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -62.05 -40.38 95.57 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 118.91 -0.567 . . . . 0.0 110.991 169.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.16 -49.58 66.94 Favored Glycine 0 N--CA 1.473 1.14 0 C-N-CA 124.798 1.189 . . . . 0.0 114.838 174.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -70.74 -42.95 69.82 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 120.939 -1.33 . . . . 0.0 111.65 176.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.36 -39.51 85.7 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -178.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.3 ptmm? -64.71 -27.41 68.89 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-N 120.0 1.273 . . . . 0.0 113.17 177.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.3 m -87.08 -54.4 4.34 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.247 1.419 . . . . 0.0 112.66 178.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 69.0 mt -84.71 -22.97 29.55 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.226 1.41 . . . . 0.0 112.507 -171.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -102.02 9.19 56.38 Favored Glycine 0 CA--C 1.529 0.961 0 C-N-CA 126.28 1.895 . . . . 0.0 114.469 174.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.76 110.63 0.49 Allowed 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 119.554 1.677 . . . . 0.0 112.553 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.38 -13.5 60.0 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 124.341 0.972 . . . . 0.0 114.062 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 1' ' ' MET . 28.0 mtpt -85.99 -42.15 14.26 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.473 1.509 . . . . 0.0 110.934 169.455 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.3 pp -139.5 174.45 9.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.624 1.17 . . . . 0.0 113.128 -172.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -132.3 143.67 50.05 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.895 1.278 . . . . 0.0 108.679 168.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.22 148.58 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 -169.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.5 m -137.0 146.28 45.13 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.317 1.447 . . . . 0.0 110.112 175.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.7 t -116.09 136.77 52.72 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.629 1.572 . . . . 0.0 111.619 174.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 13.5 p -151.0 -177.51 6.06 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.685 1.594 . . . . 0.0 112.092 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -153.98 169.9 32.55 Favored Glycine 0 C--O 1.222 -0.613 0 O-C-N 120.174 -1.579 . . . . 0.0 112.331 171.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.416 HD22 ' H ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -63.84 -14.73 55.49 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 119.023 1.412 . . . . 0.0 112.975 174.753 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -154.44 165.6 35.91 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 127.419 2.288 . . . . 0.0 109.148 168.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.0 p -116.04 158.54 22.97 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.436 1.494 . . . . 0.0 112.569 -177.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.1 t -142.12 -82.08 0.21 Allowed 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.896 1.279 . . . . 0.0 110.688 170.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.72 158.93 18.21 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 127.959 2.504 . . . . 0.0 109.184 172.582 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.7 t -61.19 136.39 24.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 CA-C-N 120.483 1.492 . . . . 0.0 108.675 169.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -65.14 123.9 85.34 Favored Pre-proline 0 N--CA 1.466 0.348 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 175.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -69.95 -23.57 29.77 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 CA-C-N 120.271 1.133 . . . . 0.0 112.342 -168.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 47.7 m -70.69 -24.78 62.73 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.139 -0.975 . . . . 0.0 111.814 173.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.47 -39.85 95.55 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 120.716 -1.24 . . . . 0.0 111.808 174.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -55.79 -47.56 79.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 173.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.7 -42.86 97.93 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 120.841 0.353 . . . . 0.0 111.834 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 24.5 mmt -69.85 -24.4 63.43 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.423 1.089 . . . . 0.0 113.168 -179.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 81.9 mmm -81.1 -34.0 32.91 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.585 0.754 . . . . 0.0 111.6 169.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -67.8 -26.84 66.29 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.035 -1.041 . . . . 0.0 112.929 175.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -57.65 -30.18 65.2 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 119.473 1.033 . . . . 0.0 112.949 171.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . 0.255 6.2 p -107.22 13.56 8.3 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.881 0 C-N-CA 126.82 2.048 . . . . 0.0 111.259 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.5 20.86 79.45 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 125.391 1.472 . . . . 0.0 115.246 171.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 71.9 mt -110.78 140.69 28.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 125.573 1.549 . . . . 0.0 110.168 -177.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -107.24 123.91 48.98 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.632 0.773 . . . . 0.0 112.384 178.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.1 pt -120.94 10.15 6.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 125.142 1.377 . . . . 0.0 112.789 169.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.7 t -65.38 -26.56 68.06 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 120.617 -1.302 . . . . 0.0 112.869 -174.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -74.53 -1.04 60.28 Favored Glycine 0 CA--C 1.539 1.577 0 CA-C-O 118.613 -1.104 . . . . 0.0 115.311 172.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -89.92 155.46 19.11 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 119.643 1.721 . . . . 0.0 111.329 177.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 24.6 p -134.53 164.1 28.22 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 127.645 2.378 . . . . 0.0 108.231 176.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.5 p -93.23 140.33 29.65 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 176.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -143.4 147.49 40.22 Favored Pre-proline 0 CA--C 1.552 1.034 0 C-N-CA 124.48 1.112 . . . . 0.0 113.964 -176.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -84.96 147.59 10.53 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 124.005 3.137 . . . . 0.0 113.891 -174.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.9 tt -57.01 -35.22 46.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 127.422 2.289 . . . . 0.0 112.082 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -63.1 -22.47 66.88 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -177.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.24 -13.57 43.44 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 176.359 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -98.72 170.13 9.0 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.114 1.366 . . . . 0.0 113.629 -169.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -119.86 85.66 2.42 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.193 1.397 . . . . 0.0 112.96 -169.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.27 -35.72 18.65 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -58.99 -25.49 63.68 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.275 1.43 . . . . 0.0 114.101 -176.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -86.63 -30.44 21.77 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 176.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -79.97 99.51 7.66 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.525 -0.734 . . . . 0.0 109.396 -173.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -51.9 -33.04 35.17 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.776 0.83 . . . . 0.0 111.695 178.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 42.6 t -128.0 136.46 60.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 C-N-CA 124.333 1.053 . . . . 0.0 111.015 174.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.1 t -120.92 138.66 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.2 1.0 . . . . 0.0 110.119 170.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 27.1 mm -125.79 131.5 71.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 124.801 1.241 . . . . 0.0 108.922 -178.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 76.9 p -104.95 145.68 30.08 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.976 0.807 . . . . 0.0 110.707 169.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 mp -139.81 41.89 1.99 Allowed 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.554 1.542 . . . . 0.0 109.783 -172.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 46.6 m -113.25 -15.47 12.7 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 116.179 1.918 . . . . 0.0 116.179 -169.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 82.5 -176.78 53.59 Favored Glycine 0 CA--C 1.54 1.616 0 CA-C-N 119.116 0.871 . . . . 0.0 112.98 -169.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 67.4 m -67.5 -15.53 63.72 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 115.925 1.824 . . . . 0.0 115.925 -170.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -67.42 -1.72 16.71 Favored Glycine 0 CA--C 1.539 1.534 0 CA-C-N 118.927 0.785 . . . . 0.0 114.887 178.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 90.6 t -135.67 146.16 30.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 125.474 1.51 . . . . 0.0 113.454 -169.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -146.57 154.5 41.58 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.235 1.814 . . . . 0.0 108.067 168.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 73.0 mt -116.89 67.58 4.13 Favored Pre-proline 0 CA--C 1.55 0.968 0 C-N-CA 124.092 0.957 . . . . 0.0 111.044 -177.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -59.77 -16.05 35.37 Favored 'Trans proline' 0 CA--C 1.556 1.608 0 N-CA-C 118.652 2.52 . . . . 0.0 118.652 -174.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -74.03 -160.39 0.1 OUTLIER 'Trans proline' 0 CA--C 1.548 1.178 0 CA-C-N 123.443 2.265 . . . . 0.0 114.016 175.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -59.22 -9.58 2.27 Favored 'General case' 0 CA--C 1.549 0.932 0 O-C-N 120.193 -1.567 . . . . 0.0 114.689 175.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 92.5 m95 -58.35 -18.19 25.72 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.638 1.575 . . . . 0.0 114.958 172.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 35.2 m -115.78 1.25 8.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 124.453 1.101 . . . . 0.0 113.804 174.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 41.8 p -94.11 2.9 55.93 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.17 0.988 . . . . 0.0 113.111 178.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -73.62 176.25 6.37 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.82 1.248 . . . . 0.0 111.918 177.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -65.19 -37.31 86.93 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 121.317 -0.864 . . . . 0.0 112.642 -169.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 32.0 mt -135.85 137.25 49.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 123.901 0.881 . . . . 0.0 110.076 169.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -126.83 135.8 51.5 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.557 1.143 . . . . 0.0 109.93 169.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -136.78 153.38 50.84 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.375 1.07 . . . . 0.0 112.025 176.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -124.89 98.9 5.9 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.757 1.223 . . . . 0.0 110.191 178.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 39.4 m0 -90.77 80.02 5.93 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 125.537 1.535 . . . . 0.0 110.563 -177.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -71.73 116.29 11.93 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.659 178.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 92.7 mt -137.82 167.84 20.92 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.658 1.983 . . . . 0.0 109.762 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -74.7 178.98 5.04 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 122.026 0.917 . . . . 0.0 112.913 178.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -118.63 99.03 51.45 Favored Pre-proline 0 CA--C 1.544 0.716 0 C-N-CA 124.216 1.006 . . . . 0.0 112.495 -169.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -70.01 -11.91 31.42 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 124.145 3.23 . . . . 0.0 116.661 -173.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -55.32 108.25 0.4 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.822 1.249 . . . . 0.0 111.635 -179.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 77.84 14.58 82.21 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 124.321 0.962 . . . . 0.0 114.937 -178.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -90.35 -96.89 0.11 Allowed 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 118.796 1.298 . . . . 0.0 111.597 -179.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 60.0 p -158.22 162.93 37.89 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 126.475 1.91 . . . . 0.0 110.183 176.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 54.2 mt -65.1 -33.8 76.89 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.653 -0.654 . . . . 0.0 112.039 177.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -61.83 -39.11 90.67 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.096 0.558 . . . . 0.0 112.28 171.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 64.4 t -69.76 -37.69 74.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 O-C-N 120.74 -1.225 . . . . 0.0 111.335 174.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -58.9 -50.45 73.96 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.021 0.828 . . . . 0.0 111.431 170.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 23.3 mtp85 -55.08 -42.14 72.44 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.155 1.382 . . . . 0.0 112.37 174.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 89.1 m -63.16 -38.26 90.46 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.65 1.18 . . . . 0.0 112.292 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 58.0 t -77.73 -46.05 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 O-C-N 121.536 -0.728 . . . . 0.0 111.505 174.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 48.2 ttp180 -52.23 -47.89 65.45 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 126.577 1.951 . . . . 0.0 112.328 -178.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -61.53 -34.79 89.7 Favored Glycine 0 N--CA 1.476 1.341 0 C-N-CA 123.677 0.656 . . . . 0.0 113.383 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -77.34 -43.74 31.93 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.662 -0.905 . . . . 0.0 111.675 177.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 59.9 t -56.19 -43.95 77.79 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 O-C-N 121.2 -0.938 . . . . 0.0 111.289 170.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 38.8 tttm -56.81 -55.02 39.68 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.51 1.124 . . . . 0.0 111.732 173.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -65.94 -35.1 79.68 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 118.601 -0.714 . . . . 0.0 112.554 -174.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 28.9 mmm180 -63.76 -43.06 97.55 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.397 0.999 . . . . 0.0 111.083 173.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 19.1 t -59.81 -51.28 74.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 CA-C-N 119.567 1.076 . . . . 0.0 113.342 171.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -59.18 -35.64 73.93 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 120.613 1.551 . . . . 0.0 112.658 179.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.27 -29.89 63.05 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 177.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 48.0 tp -76.58 -50.45 13.85 Favored 'General case' 0 CA--C 1.524 -0.056 0 C-N-CA 124.048 0.939 . . . . 0.0 111.555 178.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 6.5 pt -61.79 -33.17 56.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 CA-C-N 119.366 0.985 . . . . 0.0 111.819 -174.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.47 -21.21 66.61 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 175.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -85.33 -41.05 15.85 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.656 1.183 . . . . 0.0 112.887 174.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.253 1.9 pp -106.05 -0.66 9.99 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 -169.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 39.8 m . . . . . 0 C--O 1.254 1.294 0 C-N-CA 124.23 1.012 . . . . 0.0 112.386 174.382 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.452 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 56.7 ttm . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 119.694 -0.193 . . . . 0.0 111.472 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -128.82 166.43 19.07 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 125.99 1.716 . . . . 0.0 110.829 169.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -107.41 141.46 38.77 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.75 1.22 . . . . 0.0 111.91 -175.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.8 t -123.05 140.69 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 124.536 1.134 . . . . 0.0 109.823 176.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.3 tpp -132.01 133.38 44.38 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.907 0.883 . . . . 0.0 109.987 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -106.98 131.67 53.79 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.839 0.856 . . . . 0.0 111.248 -177.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.3 t -109.23 132.3 57.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 126.639 1.976 . . . . 0.0 109.961 171.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 46.9 t -130.73 171.84 12.66 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.322 1.449 . . . . 0.0 108.835 169.178 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -63.74 -50.89 67.33 Favored 'General case' 0 N--CA 1.484 1.261 0 O-C-N 120.677 -1.264 . . . . 0.0 112.714 -169.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.302 0.0 OUTLIER -121.77 15.75 10.99 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 115.943 1.831 . . . . 0.0 115.943 173.927 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 53.55 23.7 3.67 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 128.739 2.816 . . . . 0.0 116.482 -176.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.3 p -82.31 -31.02 30.16 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.419 1.087 . . . . 0.0 113.605 -176.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.5 t -149.46 -177.31 5.79 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.577 1.551 . . . . 0.0 110.955 -174.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.7 mtm-85 57.13 -77.11 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 127.682 2.393 . . . . 0.0 114.235 -175.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 54.1 p -44.25 -43.2 7.13 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 126.52 1.928 . . . . 0.0 113.684 174.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -68.88 -37.54 79.1 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.451 1.1 . . . . 0.0 112.254 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.1 mtt -68.73 -35.06 76.65 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.071 0.949 . . . . 0.0 111.569 170.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.62 -42.72 95.31 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.383 0.673 . . . . 0.0 110.72 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -62.24 -43.39 98.93 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 118.908 -0.568 . . . . 0.0 110.957 169.397 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.16 -48.5 63.27 Favored Glycine 0 N--CA 1.475 1.239 0 C-N-CA 124.455 1.026 . . . . 0.0 114.74 175.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -71.15 -45.72 62.96 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 121.15 -1.206 . . . . 0.0 111.71 175.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.54 -40.24 95.23 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 -177.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -67.44 -25.06 65.72 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 119.414 1.006 . . . . 0.0 113.273 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.2 m -87.43 -55.18 3.91 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.452 1.501 . . . . 0.0 112.558 176.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 76.4 mt -80.94 -30.74 35.19 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.211 1.404 . . . . 0.0 112.151 -172.471 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -97.46 11.62 65.04 Favored Glycine 0 CA--C 1.527 0.795 0 C-N-CA 126.258 1.885 . . . . 0.0 114.512 175.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.95 112.3 0.76 Allowed 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 119.511 1.656 . . . . 0.0 112.44 178.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.9 -13.89 58.07 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 124.444 1.021 . . . . 0.0 114.356 -178.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 1' ' ' MET . 22.2 mtpp -86.22 -41.11 14.91 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.345 1.458 . . . . 0.0 110.74 169.512 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.3 pp -139.68 174.28 9.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 124.839 1.256 . . . . 0.0 113.513 -174.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -131.05 141.87 50.24 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.3 1.44 . . . . 0.0 108.453 168.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -138.67 151.21 23.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 N-CA-C 114.828 1.418 . . . . 0.0 114.828 -169.311 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.0 m -140.6 147.07 38.82 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.564 1.545 . . . . 0.0 109.752 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.7 t -117.12 139.26 50.95 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.338 1.455 . . . . 0.0 111.962 174.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 15.0 p -153.26 -178.51 7.01 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.239 1.415 . . . . 0.0 112.662 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -152.98 161.55 29.65 Favored Glycine 0 C--O 1.223 -0.591 0 O-C-N 120.143 -1.598 . . . . 0.0 112.937 170.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.588 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -67.13 -16.12 64.13 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 117.917 0.859 . . . . 0.0 113.226 178.03 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -133.82 165.48 24.87 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 127.104 2.162 . . . . 0.0 108.12 168.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.0 t -127.71 143.46 51.14 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.615 0.766 . . . . 0.0 112.111 178.178 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 81.8 p -136.52 -99.47 0.21 Allowed 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.299 1.44 . . . . 0.0 111.457 176.066 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -155.27 155.12 33.23 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 127.859 2.463 . . . . 0.0 110.064 171.253 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -59.37 135.99 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 118.528 0.604 . . . . 0.0 111.377 170.319 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -72.25 127.22 90.59 Favored Pre-proline 0 CA--C 1.531 0.232 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 175.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.24 -26.21 25.55 Favored 'Trans proline' 0 CA--C 1.537 0.653 0 CA-C-N 120.503 1.215 . . . . 0.0 112.733 -169.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 20.4 m -68.29 -25.37 65.11 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.46 -0.775 . . . . 0.0 111.911 174.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.49 -45.18 92.42 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 120.817 -1.177 . . . . 0.0 111.882 175.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.4 mt -61.77 -43.79 97.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 123.942 0.897 . . . . 0.0 110.425 176.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.27 -38.56 87.18 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.314 0.578 . . . . 0.0 112.286 177.582 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 21.6 mmt -74.97 -29.82 61.02 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.927 1.291 . . . . 0.0 112.525 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 83.0 mmm -77.56 -29.94 52.44 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.063 0.847 . . . . 0.0 111.747 169.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -69.6 -22.91 63.47 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.997 -1.064 . . . . 0.0 112.867 175.086 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -60.17 -29.55 68.76 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 119.714 1.143 . . . . 0.0 112.549 170.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.0 m -103.65 10.48 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 125.478 1.511 . . . . 0.0 112.755 176.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.41 20.59 79.43 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 125.018 1.294 . . . . 0.0 115.266 176.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.4 mt -104.8 133.91 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 125.031 1.332 . . . . 0.0 110.034 -178.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -101.11 125.59 47.74 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.557 0.743 . . . . 0.0 112.373 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 33.8 pt -123.44 12.18 5.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.958 1.303 . . . . 0.0 113.002 169.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.5 t -66.81 -25.17 66.32 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 120.599 -1.313 . . . . 0.0 113.29 -175.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.86 0.32 45.85 Favored Glycine 0 CA--C 1.542 1.754 0 C-N-CA 124.755 1.169 . . . . 0.0 115.204 171.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -110.43 151.56 27.35 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.686 1.594 . . . . 0.0 110.876 177.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.3 t -149.84 -178.6 6.56 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 125.757 1.623 . . . . 0.0 106.687 168.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.2 m -67.37 137.25 55.83 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 -176.005 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -140.36 145.04 39.45 Favored Pre-proline 0 CA--C 1.551 1.017 0 C-N-CA 125.402 1.481 . . . . 0.0 112.958 171.376 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -85.75 144.53 8.73 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 123.374 2.716 . . . . 0.0 114.245 -171.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.5 tt -53.87 -35.34 27.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 127.408 2.283 . . . . 0.0 111.82 176.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -62.86 -23.69 67.43 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 -177.031 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.94 -12.81 43.52 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 176.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -99.89 171.47 7.84 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.179 1.392 . . . . 0.0 113.172 -170.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -123.43 82.46 2.01 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.233 1.413 . . . . 0.0 113.165 -169.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.567 ' HB2' ' CD2' ' A' ' 90' ' ' TRP . . . -54.73 -27.99 44.88 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 -178.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -58.2 -32.29 68.13 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.232 1.413 . . . . 0.0 113.984 177.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -91.21 -29.38 17.25 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -178.018 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -71.26 109.52 5.34 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 177.269 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -56.77 -30.99 64.17 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 122.961 0.504 . . . . 0.0 111.592 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 46.6 t -130.93 138.52 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 C-N-CA 124.88 1.272 . . . . 0.0 110.709 177.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 41.2 t -124.92 137.56 57.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 123.959 0.904 . . . . 0.0 109.954 171.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 27.3 mm -122.8 134.71 65.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 C-N-CA 124.422 1.089 . . . . 0.0 109.735 -177.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.5 t -101.92 137.65 39.93 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.719 0.808 . . . . 0.0 111.386 169.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.5 mp . . . . . 0 N--CA 1.469 0.48 0 C-N-CA 126.041 1.737 . . . . 0.0 109.228 -177.405 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 58.7 t . . . . . 0 N--CA 1.478 0.949 0 N-CA-C 110.643 -0.132 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -130.61 -5.32 4.15 Favored 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 -178.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.456 HD13 ' HB3' ' A' ' 90' ' ' TRP . 37.7 mt 42.89 64.79 5.95 Favored Pre-proline 0 N--CA 1.485 1.285 0 C-N-CA 126.366 1.866 . . . . 0.0 114.845 -177.626 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -50.91 -28.2 23.11 Favored 'Trans proline' 0 CA--C 1.553 1.451 0 C-N-CA 123.449 2.766 . . . . 0.0 119.123 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -76.47 -156.46 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.231 0 C-N-CA 122.476 2.117 . . . . 0.0 115.185 -176.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.486 ' HG3' ' HB3' ' A' ' 70' ' ' ALA . 10.2 pt-20 -52.87 -14.2 0.53 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.337 1.455 . . . . 0.0 114.452 169.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.567 ' CD2' ' HB2' ' A' ' 70' ' ' ALA . 93.5 m95 -66.24 6.23 0.44 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.657 1.983 . . . . 0.0 116.043 175.762 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 27.0 m -134.85 9.75 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 125.107 1.363 . . . . 0.0 113.06 169.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 44.8 p -100.51 11.57 39.18 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.756 1.223 . . . . 0.0 112.991 -178.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.47 ' NE2' ' HB1' ' A' ' 70' ' ' ALA . 25.3 mp0 -59.75 175.38 0.37 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 128.265 2.626 . . . . 0.0 114.198 177.094 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -68.4 -38.73 81.56 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.453 169.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 28.5 mt -137.23 138.45 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.689 1.196 . . . . 0.0 110.416 170.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -128.74 135.31 49.03 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.452 1.101 . . . . 0.0 108.57 168.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -135.35 156.12 49.46 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.552 1.141 . . . . 0.0 111.153 176.175 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -128.55 114.35 16.62 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.687 0.795 . . . . 0.0 112.031 174.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 33.7 m0 -103.68 91.32 3.96 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.781 1.633 . . . . 0.0 109.603 -174.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -86.07 81.33 8.51 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.903 0.881 . . . . 0.0 110.381 -173.088 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 51.0 mt -94.61 175.62 6.6 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.423 1.489 . . . . 0.0 111.301 -177.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 27.2 mp0 -63.96 168.97 4.65 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.073 1.349 . . . . 0.0 111.587 172.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -121.23 93.93 48.79 Favored Pre-proline 0 CA--C 1.544 0.746 0 C-N-CA 124.967 1.307 . . . . 0.0 111.09 -173.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -71.72 -17.5 29.4 Favored 'Trans proline' 0 C--N 1.358 1.042 0 C-N-CA 123.78 2.986 . . . . 0.0 117.327 -169.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -60.7 106.11 0.53 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 123.991 0.917 . . . . 0.0 111.477 -175.165 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 87.2 12.32 68.01 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 124.192 0.901 . . . . 0.0 114.489 -177.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -91.56 -113.1 0.09 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.155 1.382 . . . . 0.0 110.558 177.113 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 40.3 m -152.76 159.56 43.11 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.727 2.011 . . . . 0.0 109.569 -177.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.0 mp -68.25 -25.67 65.29 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 120.983 -1.073 . . . . 0.0 112.285 -175.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -64.28 -33.9 76.9 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 120.976 -1.078 . . . . 0.0 112.069 169.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 99.3 t -74.33 -38.08 46.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 O-C-N 121.224 -0.922 . . . . 0.0 110.577 174.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -60.25 -46.02 91.25 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.041 0.837 . . . . 0.0 111.313 169.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 61.1 mtp85 -61.25 -40.2 93.17 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.519 1.128 . . . . 0.0 112.161 176.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 53.4 m -60.89 -43.23 98.75 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.548 1.139 . . . . 0.0 111.696 175.096 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 50.2 t -68.59 -48.31 72.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 O-C-N 121.283 -0.886 . . . . 0.0 111.846 173.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -52.9 -46.64 68.07 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.705 1.602 . . . . 0.0 112.279 -177.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -62.24 -38.25 95.89 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 123.458 0.552 . . . . 0.0 113.26 178.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -72.14 -44.56 62.94 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.865 -0.785 . . . . 0.0 111.385 176.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 61.4 t -57.18 -44.64 83.84 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 O-C-N 120.909 -1.119 . . . . 0.0 111.406 173.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -58.02 -52.89 63.66 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.939 0.896 . . . . 0.0 111.354 175.449 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -64.86 -37.8 88.84 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 118.689 -0.672 . . . . 0.0 112.479 -175.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 -64.24 -44.05 93.03 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.441 1.019 . . . . 0.0 111.258 174.361 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 14.0 t -60.25 -49.29 84.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 CA-C-O 117.84 -1.076 . . . . 0.0 113.452 173.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -61.14 -35.16 76.31 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 120.625 1.557 . . . . 0.0 112.398 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -29.6 63.12 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 177.176 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 48.0 tp -77.43 -50.58 12.41 Favored 'General case' 0 C--O 1.228 -0.048 0 C-N-CA 124.013 0.925 . . . . 0.0 111.801 178.177 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.8 pt -61.73 -31.88 52.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 CA-C-N 119.113 0.869 . . . . 0.0 112.055 -174.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.72 -21.56 65.29 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 175.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -83.48 -39.54 20.38 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.702 1.201 . . . . 0.0 112.868 174.198 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.273 1.9 pp -107.82 1.17 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 N-CA-C 115.767 1.765 . . . . 0.0 115.767 -170.173 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.0 m . . . . . 0 C--O 1.255 1.394 0 C-N-CA 124.514 1.125 . . . . 0.0 112.616 170.96 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.448 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 15.9 ttt . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 119.856 -0.116 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -129.94 166.25 20.43 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 126.023 1.729 . . . . 0.0 111.542 172.021 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -106.36 139.38 40.93 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.795 1.238 . . . . 0.0 110.961 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.2 t -124.54 141.26 45.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 124.345 1.058 . . . . 0.0 109.996 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 11.2 tpp -133.86 133.59 41.73 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.111 0.964 . . . . 0.0 110.17 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -111.34 120.62 42.83 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.442 1.097 . . . . 0.0 110.709 -176.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.2 t -98.24 140.89 17.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 124.808 1.243 . . . . 0.0 111.836 176.435 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 49.0 t -133.04 178.82 6.6 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 127.616 2.366 . . . . 0.0 109.924 176.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.99 -53.14 15.87 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 119.917 -1.739 . . . . 0.0 111.84 176.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.262 0.1 OUTLIER -128.26 9.88 6.22 Favored 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 116.12 1.896 . . . . 0.0 116.12 179.822 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.393 3.4 t30 52.56 33.54 13.69 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 129.859 3.264 . . . . 0.0 118.885 -173.7 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.5 p -78.81 -54.07 6.45 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.642 -0.661 . . . . 0.0 112.319 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.9 t -131.53 -171.68 2.66 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.179 1.792 . . . . 0.0 110.844 -176.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 92.5 mtm-85 57.45 -83.01 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 126.946 2.098 . . . . 0.0 113.109 -170.022 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.7 m -62.56 -30.05 71.03 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.522 1.529 . . . . 0.0 113.445 -171.437 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -68.5 -34.98 76.85 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 121.36 -0.837 . . . . 0.0 111.595 173.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 47.9 mtt -70.23 -34.24 72.64 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.152 0.981 . . . . 0.0 111.398 170.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.63 -41.65 99.14 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.175 0.59 . . . . 0.0 110.809 177.236 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -62.43 -43.12 99.58 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 118.881 -0.581 . . . . 0.0 111.373 169.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.26 -47.82 72.51 Favored Glycine 0 N--CA 1.474 1.214 0 C-N-CA 124.326 0.965 . . . . 0.0 114.439 175.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -70.42 -45.46 65.84 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 120.998 -1.296 . . . . 0.0 111.882 175.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.31 -40.11 93.34 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -176.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.6 ptmt -67.36 -25.55 66.04 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 119.54 1.064 . . . . 0.0 113.198 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.9 m -86.46 -56.52 3.39 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.572 1.549 . . . . 0.0 112.577 175.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 76.1 mt -81.47 -30.58 33.32 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.091 1.357 . . . . 0.0 112.188 -171.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -95.89 11.16 68.09 Favored Glycine 0 CA--C 1.524 0.631 0 C-N-CA 126.195 1.855 . . . . 0.0 114.39 175.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.74 113.67 1.05 Allowed 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.601 1.7 . . . . 0.0 112.475 -178.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.89 -19.75 11.19 Favored Glycine 0 CA--C 1.539 1.573 0 C-N-CA 125.01 1.291 . . . . 0.0 114.804 -176.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 1' ' ' MET . 28.8 mtpp -76.61 -38.76 54.24 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.702 1.201 . . . . 0.0 110.486 169.689 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.5 pp -144.75 171.53 6.13 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 125.05 1.34 . . . . 0.0 113.292 -178.034 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -125.23 144.6 50.38 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.3 1.44 . . . . 0.0 108.315 168.315 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -139.28 149.7 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 N-CA-C 115.531 1.678 . . . . 0.0 115.531 -169.223 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.9 m -139.5 150.68 45.42 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.54 1.536 . . . . 0.0 109.985 178.098 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.7 t -118.72 144.89 45.94 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.194 1.398 . . . . 0.0 111.965 175.36 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 18.4 t -152.54 154.24 35.04 Favored 'General case' 0 C--O 1.221 -0.437 0 C-N-CA 124.621 1.168 . . . . 0.0 112.714 -169.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -122.49 165.09 15.29 Favored Glycine 0 CA--C 1.524 0.62 0 O-C-N 120.83 -1.169 . . . . 0.0 111.163 169.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.0 mt -65.15 -38.28 90.08 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 119.958 1.879 . . . . 0.0 108.49 169.171 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -115.26 173.39 6.53 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.991 2.116 . . . . 0.0 109.537 169.057 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.6 p -147.6 138.98 23.74 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 120.985 -1.072 . . . . 0.0 112.438 -178.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 88.2 p -130.18 -72.85 0.56 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 122.981 0.513 . . . . 0.0 112.024 169.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.34 156.74 21.77 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 126.415 1.886 . . . . 0.0 111.5 -178.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.7 t -62.05 136.48 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.371 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 169.231 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -62.92 125.76 87.34 Favored Pre-proline 0 N--CA 1.467 0.42 0 CA-C-O 118.711 -0.661 . . . . 0.0 109.496 174.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -70.63 -23.95 26.25 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 CA-C-N 120.267 1.131 . . . . 0.0 111.827 -169.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 59.3 m -71.91 -26.24 62.23 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 121.292 -0.88 . . . . 0.0 111.908 173.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.01 -37.81 86.27 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 120.25 -1.531 . . . . 0.0 112.024 174.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.06 -48.17 82.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 172.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.48 -36.41 84.1 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -178.387 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.79 -28.66 60.82 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 124.469 1.108 . . . . 0.0 112.676 178.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 80.8 mmm -77.0 -30.52 55.95 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.27 0.941 . . . . 0.0 111.174 169.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -66.67 -22.31 66.09 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.167 -0.958 . . . . 0.0 113.087 173.288 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -64.09 -27.24 68.96 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 120.135 1.334 . . . . 0.0 112.679 173.439 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.7 m -103.85 10.51 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 125.391 1.476 . . . . 0.0 112.561 176.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.41 22.15 78.6 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.599 1.095 . . . . 0.0 115.133 177.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 68.9 mt -107.94 145.14 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 125.506 1.522 . . . . 0.0 109.383 178.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -113.81 129.37 56.59 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.45 0.7 . . . . 0.0 112.41 178.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.0 pt -120.5 13.0 6.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.79 1.236 . . . . 0.0 112.725 169.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.0 m -62.67 -27.6 69.35 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 120.6 -1.313 . . . . 0.0 113.325 -177.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.56 -1.74 77.87 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 124.918 1.246 . . . . 0.0 114.872 174.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -87.12 162.53 17.49 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 119.457 1.628 . . . . 0.0 111.284 175.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 23.1 p -143.2 167.87 21.1 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 128.719 2.808 . . . . 0.0 105.775 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.7 m -104.41 137.01 42.91 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.587 -0.696 . . . . 0.0 112.358 177.349 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -143.89 152.15 54.66 Favored Pre-proline 0 N--CA 1.479 1.013 0 C-N-CA 125.057 1.343 . . . . 0.0 113.031 -175.36 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -95.84 151.9 1.43 Allowed 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 123.605 2.87 . . . . 0.0 113.958 -169.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 8.2 tt -58.66 -30.66 42.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 126.102 1.761 . . . . 0.0 112.583 -178.163 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -60.98 -21.97 64.04 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 175.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -94.81 -15.0 24.11 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 179.03 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -97.47 173.82 6.98 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.998 1.319 . . . . 0.0 113.753 -169.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -127.08 88.89 2.88 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.057 1.343 . . . . 0.0 113.322 -169.753 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.51 -33.47 31.83 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -179.309 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -59.38 -25.73 64.51 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.994 1.317 . . . . 0.0 114.133 -177.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -100.84 7.53 43.66 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.196 0.998 . . . . 0.0 113.455 177.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -109.29 98.65 8.04 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.292 1.037 . . . . 0.0 108.442 173.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -55.87 -32.69 63.9 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 121.732 -0.605 . . . . 0.0 111.779 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 40.3 t -126.19 138.2 55.35 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 124.553 1.141 . . . . 0.0 110.806 173.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 51.9 t -125.31 136.64 60.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 124.319 1.048 . . . . 0.0 109.769 173.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 15.3 mm -120.41 139.99 45.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 C-N-CA 124.478 1.111 . . . . 0.0 109.814 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.6 t -106.01 134.91 48.38 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 118.676 0.671 . . . . 0.0 112.135 169.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.5 mp . . . . . 0 CA--C 1.541 0.632 0 C-N-CA 125.99 1.716 . . . . 0.0 109.332 -176.766 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 38.6 t . . . . . 0 N--CA 1.478 0.938 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -137.56 -2.52 1.96 Allowed 'General case' 0 CA--C 1.552 1.048 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.5 mt 43.46 67.08 4.01 Favored Pre-proline 0 N--CA 1.483 1.186 0 C-N-CA 126.085 1.754 . . . . 0.0 114.71 -177.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -51.06 -28.8 25.91 Favored 'Trans proline' 0 CA--C 1.555 1.535 0 C-N-CA 123.63 2.887 . . . . 0.0 118.981 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -76.59 -160.63 0.12 Allowed 'Trans proline' 0 CA--C 1.549 1.266 0 C-N-CA 122.662 2.241 . . . . 0.0 114.569 -177.284 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -58.45 -8.07 1.09 Allowed 'General case' 0 N--CA 1.477 0.912 0 O-C-N 120.221 -1.55 . . . . 0.0 115.122 175.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -58.33 -15.95 12.43 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.678 1.591 . . . . 0.0 114.411 171.283 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.8 m -117.54 4.05 7.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 124.537 1.135 . . . . 0.0 114.038 174.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 43.4 p -98.11 6.03 47.98 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.663 1.185 . . . . 0.0 113.355 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -76.78 -175.99 3.67 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.04 1.336 . . . . 0.0 111.781 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -63.18 -41.05 99.14 Favored 'General case' 0 N--CA 1.48 1.033 0 O-C-N 120.736 -1.227 . . . . 0.0 112.381 -171.459 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 46.9 mt -140.53 140.48 33.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 125.512 1.525 . . . . 0.0 109.557 175.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -129.51 134.64 47.88 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.69 1.196 . . . . 0.0 109.703 168.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -135.2 155.85 49.98 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.657 1.183 . . . . 0.0 111.054 175.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -124.35 111.96 16.4 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 121.472 0.654 . . . . 0.0 111.792 173.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 43.4 m0 -105.9 85.76 2.27 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.859 1.664 . . . . 0.0 109.91 -173.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -84.77 118.66 24.59 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.949 -171.017 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 92.1 mt -139.32 172.72 12.41 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.576 1.95 . . . . 0.0 110.979 -175.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 22.9 mp0 -61.2 169.35 2.14 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.856 2.062 . . . . 0.0 112.81 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -117.23 91.1 35.95 Favored Pre-proline 0 CA--C 1.549 0.931 0 C-N-CA 125.837 1.655 . . . . 0.0 110.497 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_exo -66.78 -15.2 46.62 Favored 'Trans proline' 0 C--N 1.359 1.105 0 C-N-CA 124.386 3.391 . . . . 0.0 117.426 -169.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -57.44 110.87 0.94 Allowed 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 119.488 1.04 . . . . 0.0 112.269 -178.121 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 79.68 14.86 80.55 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 123.876 0.75 . . . . 0.0 113.748 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -90.48 -110.66 0.09 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.413 1.085 . . . . 0.0 110.172 177.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 74.4 m -155.16 157.52 37.54 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 127.22 2.208 . . . . 0.0 109.326 -175.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.447 HD22 ' H ' ' A' ' 109' ' ' LEU . 1.4 mm? -68.94 -27.48 65.78 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.446 -0.784 . . . . 0.0 111.854 -174.337 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -64.73 -34.22 77.82 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.76 0.824 . . . . 0.0 112.28 170.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 78.1 t -72.82 -39.52 59.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 O-C-N 121.05 -1.031 . . . . 0.0 110.282 174.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -58.6 -47.09 85.47 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 118.615 0.643 . . . . 0.0 111.41 170.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 61.2 mtp85 -63.69 -38.97 93.12 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.665 1.186 . . . . 0.0 112.073 178.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 51.8 m -61.26 -40.83 95.55 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.794 1.238 . . . . 0.0 111.775 174.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 41.9 t -68.26 -52.59 36.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 123.367 0.667 . . . . 0.0 111.567 171.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 48.7 ttp180 -52.69 -46.37 67.25 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.567 1.547 . . . . 0.0 112.633 -174.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -62.63 -37.46 94.81 Favored Glycine 0 N--CA 1.474 1.206 0 C-N-CA 123.469 0.557 . . . . 0.0 113.336 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -75.87 -43.82 43.69 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.821 -0.811 . . . . 0.0 111.092 177.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 85.8 t -56.43 -43.78 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 O-C-N 121.288 -0.882 . . . . 0.0 111.648 172.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -56.47 -56.06 25.96 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.904 0.881 . . . . 0.0 111.417 174.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.7 -37.38 87.4 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 118.351 -0.833 . . . . 0.0 111.788 -175.625 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -60.96 -44.43 97.33 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 119.218 0.917 . . . . 0.0 111.21 176.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 27.0 t -60.94 -49.72 83.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 CA-C-O 118.154 -0.927 . . . . 0.0 112.944 171.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -60.22 -35.59 75.78 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 120.537 1.517 . . . . 0.0 112.415 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.85 -24.96 60.94 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 177.553 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 48.0 tp -81.95 -50.0 9.64 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.487 1.115 . . . . 0.0 111.936 175.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 6.4 pt -65.01 -24.57 35.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-N 119.484 1.038 . . . . 0.0 113.17 -175.214 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.76 -19.93 61.95 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 173.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -88.63 -43.62 11.21 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.901 1.28 . . . . 0.0 113.13 176.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.281 1.7 pp -104.45 0.84 10.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 N-CA-C 116.965 2.209 . . . . 0.0 116.965 -169.732 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 79.1 p . . . . . 0 C--O 1.255 1.38 0 CA-C-N 120.069 1.304 . . . . 0.0 113.692 174.535 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.423 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 11.7 ttt . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 119.851 -0.119 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -130.46 165.61 22.28 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 125.697 1.599 . . . . 0.0 111.868 172.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -109.87 139.19 45.24 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.681 1.192 . . . . 0.0 111.251 -176.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.3 t -123.41 138.83 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.265 1.026 . . . . 0.0 109.974 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 7.8 tpp -129.7 135.53 48.6 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.09 0.956 . . . . 0.0 110.511 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -113.85 120.18 39.85 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.484 1.114 . . . . 0.0 112.305 -174.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -97.45 144.99 9.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 C-N-CA 126.44 1.896 . . . . 0.0 111.395 174.364 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 44.4 t -144.17 -169.91 3.23 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.959 2.103 . . . . 0.0 107.271 169.138 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -64.23 -69.44 0.28 Allowed 'General case' 0 N--CA 1.486 1.357 0 CA-C-N 121.199 1.818 . . . . 0.0 111.824 175.269 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.6 ptm85 -115.6 15.43 16.59 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 115.444 1.646 . . . . 0.0 115.444 -174.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 56.93 29.86 17.03 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 126.595 1.958 . . . . 0.0 113.794 -175.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.4 p -82.83 -46.2 13.34 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.27 1.428 . . . . 0.0 112.806 -175.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.4 t -140.39 177.68 7.83 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.484 1.514 . . . . 0.0 110.334 -176.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.2 mtm-85 58.47 -71.58 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 127.694 2.398 . . . . 0.0 114.319 -174.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.9 p -50.43 -39.7 48.17 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 126.21 1.804 . . . . 0.0 113.286 177.302 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -71.21 -37.53 72.08 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.794 0.838 . . . . 0.0 111.892 177.008 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 53.4 mtt -67.83 -34.76 77.35 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 120.974 -1.079 . . . . 0.0 111.73 174.005 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.57 -43.48 93.76 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.092 0.557 . . . . 0.0 111.536 176.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -60.65 -42.71 97.54 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.038 0.535 . . . . 0.0 110.381 169.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -47.16 -63.4 3.31 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 126.473 1.987 . . . . 0.0 114.03 171.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -65.48 -40.58 93.28 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 119.131 1.466 . . . . 0.0 112.671 -179.431 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.86 -39.12 87.45 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 -177.21 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 ptmt -61.21 -30.57 70.51 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 120.167 1.348 . . . . 0.0 113.025 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.7 m -91.75 -52.21 4.86 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.814 1.645 . . . . 0.0 112.312 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 89.1 mt -75.73 -31.11 59.48 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.406 0.683 . . . . 0.0 112.568 -175.109 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -99.34 11.54 61.68 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 126.399 1.952 . . . . 0.0 114.992 176.089 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.01 109.98 0.31 Allowed 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 119.049 1.424 . . . . 0.0 113.535 -173.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.87 -18.56 20.46 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 124.832 1.206 . . . . 0.0 115.008 175.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 1' ' ' MET . 17.2 ptmt -87.22 -26.68 23.4 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 118.11 0.955 . . . . 0.0 112.852 169.653 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 pp -133.91 171.53 17.8 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 123.763 0.825 . . . . 0.0 111.854 169.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.69 145.93 52.04 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.132 0.973 . . . . 0.0 109.389 168.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -140.29 150.62 21.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 -169.287 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.7 m -143.94 149.59 37.04 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.86 1.664 . . . . 0.0 108.927 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.0 p -124.93 151.98 44.71 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 120.844 -1.16 . . . . 0.0 112.332 169.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 17.1 p -155.19 -177.25 6.41 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.367 1.467 . . . . 0.0 111.263 -178.316 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -149.29 166.92 29.58 Favored Glycine 0 N--CA 1.466 0.696 0 O-C-N 120.771 -1.205 . . . . 0.0 112.088 169.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.04 -15.05 62.71 Favored 'General case' 0 N--CA 1.48 1.075 0 CA-C-N 118.927 1.363 . . . . 0.0 113.383 176.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -136.58 -179.73 5.86 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 127.163 2.185 . . . . 0.0 108.906 169.141 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.4 t -137.69 144.28 41.71 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 120.957 -1.089 . . . . 0.0 112.448 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.9 t -143.09 -104.56 0.13 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.223 1.409 . . . . 0.0 110.497 174.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.85 160.87 41.76 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.289 1.836 . . . . 0.0 111.465 173.788 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.4 t -63.23 139.07 21.86 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 171.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -67.5 124.87 90.24 Favored Pre-proline 0 N--CA 1.466 0.352 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 172.009 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.03 -25.03 32.35 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 CA-C-N 120.293 1.14 . . . . 0.0 112.363 -169.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 51.2 m -69.23 -26.92 65.04 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 121.291 -0.881 . . . . 0.0 111.994 174.23 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.84 -39.32 94.0 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 120.618 -1.301 . . . . 0.0 112.144 174.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mp -57.67 -48.59 83.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 172.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.15 -37.94 89.22 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -177.275 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 7.4 mmt -75.41 -28.38 59.4 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.116 0.966 . . . . 0.0 112.269 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 81.8 mmm -77.46 -30.11 53.06 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 119.213 0.915 . . . . 0.0 111.808 169.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -67.26 -25.16 65.94 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 120.998 -1.064 . . . . 0.0 112.745 174.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -60.64 -30.91 70.17 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 119.874 1.216 . . . . 0.0 112.827 173.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 30.4 m -99.08 8.32 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 125.211 1.404 . . . . 0.0 112.642 176.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.47 24.33 76.45 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 124.966 1.27 . . . . 0.0 114.907 177.266 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 75.5 mt -112.16 139.35 37.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 125.139 1.376 . . . . 0.0 110.278 -176.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -104.38 125.89 50.99 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 -171.336 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.8 pt -134.66 21.55 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 124.588 1.155 . . . . 0.0 112.456 169.095 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.3 t -78.07 -30.87 49.91 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 121.008 -1.058 . . . . 0.0 112.686 -176.035 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -83.54 13.98 43.81 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 125.015 1.293 . . . . 0.0 115.639 -178.269 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -126.96 164.09 22.25 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.631 1.715 . . . . 0.0 111.76 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 35.1 p -131.04 176.15 8.49 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 127.303 2.241 . . . . 0.0 107.485 -173.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.1 m -74.85 148.13 40.48 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 121.74 -0.6 . . . . 0.0 112.459 170.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -141.52 146.38 41.66 Favored Pre-proline 0 CA--C 1.551 0.997 0 C-N-CA 124.399 1.079 . . . . 0.0 113.073 170.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -88.39 149.01 6.46 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 123.869 3.046 . . . . 0.0 114.102 -174.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.8 tt -57.86 -35.86 53.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 127.008 2.123 . . . . 0.0 112.076 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.31 -21.99 66.6 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 -177.28 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.08 -13.85 43.1 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 176.288 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -99.29 171.45 7.97 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.148 1.379 . . . . 0.0 113.588 -170.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -124.6 85.98 2.49 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.203 1.401 . . . . 0.0 112.34 -169.612 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.54 -33.67 46.58 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -55.57 -27.04 46.82 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.557 1.543 . . . . 0.0 114.29 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -83.46 -31.76 26.38 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 175.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -80.3 102.93 9.83 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.729 0.812 . . . . 0.0 109.41 -171.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -49.31 -36.11 20.12 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.124 0.97 . . . . 0.0 111.762 175.361 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.1 t -130.23 136.1 59.38 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 C-N-CA 123.95 0.9 . . . . 0.0 110.795 177.11 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 56.0 t -121.19 137.19 55.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 123.929 0.891 . . . . 0.0 110.128 171.053 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 29.7 mm -122.8 136.38 59.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 124.604 1.161 . . . . 0.0 109.514 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.2 t -105.78 132.65 51.65 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 118.633 0.651 . . . . 0.0 110.924 169.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.0 mp . . . . . 0 N--CA 1.467 0.408 0 C-N-CA 126.206 1.802 . . . . 0.0 107.867 179.751 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 61.5 t . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -137.29 -0.26 2.24 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 115.572 1.693 . . . . 0.0 115.572 178.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 40.4 mt 44.07 65.78 5.54 Favored Pre-proline 0 CA--C 1.555 1.147 0 C-N-CA 126.346 1.858 . . . . 0.0 115.12 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -51.03 -29.11 26.64 Favored 'Trans proline' 0 CA--C 1.557 1.644 0 C-N-CA 123.418 2.745 . . . . 0.0 119.174 179.178 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -77.07 -158.66 0.09 OUTLIER 'Trans proline' 0 CA--C 1.55 1.296 0 C-N-CA 122.669 2.246 . . . . 0.0 115.001 -176.273 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -53.02 -13.28 0.43 Allowed 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 126.101 1.76 . . . . 0.0 115.356 172.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 86.2 m95 -60.08 -15.93 27.47 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.909 1.684 . . . . 0.0 114.893 173.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.6 m -118.72 3.41 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 124.459 1.104 . . . . 0.0 113.907 173.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 43.4 p -94.07 2.18 56.06 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.109 0.964 . . . . 0.0 113.36 177.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 71.7 mm-40 -74.97 175.87 7.71 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.765 1.226 . . . . 0.0 112.421 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -65.0 -36.45 84.46 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -169.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 42.9 mt -137.31 135.54 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 123.889 0.875 . . . . 0.0 110.043 169.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -126.58 134.8 50.73 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.308 1.043 . . . . 0.0 109.198 168.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -134.81 153.79 51.89 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.149 0.979 . . . . 0.0 111.394 175.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -124.78 114.85 19.8 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.981 0.912 . . . . 0.0 111.868 173.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.458 ' CE2' ' HB3' ' A' ' 122' ' ' ARG . 36.9 m0 -104.07 90.12 3.49 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 125.757 1.623 . . . . 0.0 109.688 -174.65 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -82.96 101.55 11.14 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 122.98 0.512 . . . . 0.0 110.237 -175.022 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 63.3 mt -116.83 168.99 9.73 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.503 1.521 . . . . 0.0 110.47 177.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -71.27 173.49 7.68 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 122.085 0.945 . . . . 0.0 112.1 173.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -114.49 100.67 53.43 Favored Pre-proline 0 CA--C 1.552 1.046 0 C-N-CA 126.571 1.949 . . . . 0.0 111.854 -170.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_exo -70.34 -14.22 34.04 Favored 'Trans proline' 0 C--N 1.357 0.995 0 C-N-CA 123.466 2.777 . . . . 0.0 117.38 -170.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -55.86 113.74 1.62 Allowed 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.465 1.03 . . . . 0.0 112.524 -177.224 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.06 15.6 79.81 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 123.975 0.797 . . . . 0.0 114.404 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -89.06 -97.26 0.1 Allowed 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 118.119 0.96 . . . . 0.0 110.877 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.7 t -160.57 164.96 31.56 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.843 1.657 . . . . 0.0 109.737 171.065 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 59.5 mt -58.8 -37.9 77.37 Favored 'General case' 0 C--O 1.221 -0.402 0 C-N-CA 123.86 0.864 . . . . 0.0 112.21 175.205 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -58.94 -35.43 73.12 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.614 -0.679 . . . . 0.0 112.549 174.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 94.0 t -75.22 -38.13 40.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 O-C-N 121.388 -0.82 . . . . 0.0 111.102 175.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -60.44 -45.88 92.07 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.883 0.765 . . . . 0.0 111.411 170.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -62.83 -39.77 95.36 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.689 1.195 . . . . 0.0 111.934 177.095 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 53.0 m -62.33 -39.69 93.9 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.155 0.982 . . . . 0.0 111.707 175.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 40.3 t -70.33 -50.33 47.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 O-C-N 121.667 -0.646 . . . . 0.0 111.378 172.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 57.0 ttp180 -49.58 -47.36 49.45 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 126.126 1.77 . . . . 0.0 112.157 -179.016 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -59.6 -46.55 93.8 Favored Glycine 0 N--CA 1.471 1.033 0 C-N-CA 123.639 0.637 . . . . 0.0 112.961 178.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -69.74 -37.76 76.6 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 121.149 -1.206 . . . . 0.0 111.929 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 49.1 t -64.98 -42.9 95.95 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 O-C-N 120.973 -1.079 . . . . 0.0 111.51 174.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -53.49 -55.37 25.92 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.185 0.994 . . . . 0.0 109.783 170.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -54.28 -52.2 62.2 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.543 0.737 . . . . 0.0 112.202 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.458 ' HB3' ' CE2' ' A' ' 99' ' ' TRP . 26.1 mmm180 -63.68 -30.81 71.86 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 119.668 -0.813 . . . . 0.0 111.572 -175.614 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 22.0 t -70.89 -55.22 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 169.345 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -68.24 -23.69 64.83 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 119.878 1.217 . . . . 0.0 113.315 -173.212 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.24 -27.45 38.71 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 171.688 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 42.2 tp -76.9 -48.18 19.01 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.58 1.152 . . . . 0.0 112.341 175.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 11.0 pt -61.82 -29.76 46.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 CA-C-N 119.411 1.005 . . . . 0.0 112.658 -173.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.5 -21.53 65.5 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 175.289 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -82.09 -37.95 25.59 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.487 1.115 . . . . 0.0 112.906 174.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 1.9 pp -109.47 -5.34 10.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 N-CA-C 116.662 2.097 . . . . 0.0 116.662 -169.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.6 m . . . . . 0 C--O 1.253 1.266 0 CA-C-N 120.106 1.321 . . . . 0.0 112.819 177.047 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.412 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 12.0 ttt . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 119.716 -0.183 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -130.5 163.82 26.17 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 125.89 1.676 . . . . 0.0 112.076 173.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -105.41 137.43 43.24 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.43 1.092 . . . . 0.0 111.115 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.6 t -121.64 139.18 49.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 124.49 1.116 . . . . 0.0 109.972 177.325 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.8 tpp -130.37 133.11 46.15 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 124.104 0.961 . . . . 0.0 109.807 -178.239 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -108.05 137.49 45.95 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.241 1.016 . . . . 0.0 111.141 -175.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.3 t -116.19 135.35 56.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 126.711 2.004 . . . . 0.0 110.141 177.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -131.88 177.34 7.61 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.564 1.546 . . . . 0.0 110.785 169.504 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -49.74 52.82 Favored 'General case' 0 N--CA 1.485 1.307 0 O-C-N 120.936 -1.102 . . . . 0.0 112.867 -178.095 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.283 0.0 OUTLIER -122.39 14.33 10.36 Favored 'General case' 0 N--CA 1.5 2.056 0 N-CA-C 116.048 1.87 . . . . 0.0 116.048 173.505 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 48.03 38.71 9.96 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 128.121 2.568 . . . . 0.0 115.633 -177.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.8 p -95.96 -32.54 12.55 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 114.781 1.4 . . . . 0.0 114.781 -176.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.1 t -138.28 -156.12 0.66 Allowed 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.527 1.531 . . . . 0.0 109.584 -176.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 45.17 -86.46 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 127.683 2.393 . . . . 0.0 114.138 172.27 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 m -51.51 -33.85 33.54 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 126.922 2.089 . . . . 0.0 113.809 174.128 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -70.19 -38.17 75.28 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.608 -0.683 . . . . 0.0 111.929 175.106 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 53.0 mtt -68.42 -32.27 72.19 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.972 0.909 . . . . 0.0 111.776 171.066 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.8 -40.25 96.2 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.334 0.654 . . . . 0.0 111.317 178.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -62.95 -40.94 99.2 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 119.122 -0.466 . . . . 0.0 110.892 169.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.43 -47.69 86.22 Favored Glycine 0 N--CA 1.476 1.331 0 C-N-CA 124.773 1.178 . . . . 0.0 114.532 175.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -71.59 -44.64 64.1 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 120.764 -1.433 . . . . 0.0 112.023 175.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.93 -40.08 94.5 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 118.547 -0.74 . . . . 0.0 112.895 -178.039 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.8 ptmm? -63.71 -27.07 68.96 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-N 120.008 1.276 . . . . 0.0 113.295 178.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.5 m -89.18 -51.0 5.81 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.597 1.559 . . . . 0.0 112.483 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 76.7 mt -85.07 -29.06 25.22 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.921 1.289 . . . . 0.0 112.141 -171.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -99.92 13.45 60.61 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 126.457 1.979 . . . . 0.0 114.255 172.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.5 110.37 0.33 Allowed 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.007 1.404 . . . . 0.0 113.482 -173.057 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.49 -17.43 24.75 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 124.972 1.272 . . . . 0.0 114.812 176.314 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 1' ' ' MET . 17.7 ptmt -88.45 -25.33 22.68 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 118.274 1.037 . . . . 0.0 112.803 169.515 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 pp -133.91 170.61 19.45 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 C-N-CA 123.727 0.811 . . . . 0.0 112.093 169.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -129.51 146.5 51.33 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.358 1.063 . . . . 0.0 109.54 168.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -139.99 150.34 21.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 N-CA-C 115.469 1.655 . . . . 0.0 115.469 -169.434 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.4 m -140.74 148.33 40.54 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.788 1.635 . . . . 0.0 110.002 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.2 t -118.43 142.1 47.89 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.716 1.206 . . . . 0.0 112.78 173.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 15.5 p -153.67 -177.27 6.26 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.351 1.46 . . . . 0.0 112.453 177.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -154.77 167.01 32.56 Favored Glycine 0 N--CA 1.467 0.75 0 O-C-N 120.114 -1.616 . . . . 0.0 112.72 170.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.519 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.7 OUTLIER -65.39 -16.97 64.16 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 118.68 1.24 . . . . 0.0 112.758 174.467 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -138.46 169.27 18.09 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.733 2.013 . . . . 0.0 109.171 169.276 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.0 t -131.06 148.73 52.78 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.974 1.309 . . . . 0.0 111.663 179.122 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.9 t -140.46 -81.29 0.26 Allowed 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.006 0.922 . . . . 0.0 111.701 173.321 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.64 162.05 21.24 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 127.131 2.172 . . . . 0.0 109.856 171.282 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.4 t -65.13 137.0 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 CA-C-N 119.995 1.27 . . . . 0.0 108.496 169.074 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 -68.94 124.47 90.38 Favored Pre-proline 0 N--CA 1.465 0.281 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 173.059 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -67.69 -24.64 40.94 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 CA-C-N 120.452 1.197 . . . . 0.0 112.164 -169.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 40.9 m -70.7 -29.17 65.39 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.622 -0.674 . . . . 0.0 112.175 173.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.96 -45.32 93.06 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 120.75 -1.219 . . . . 0.0 111.488 174.203 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.3 mt -59.92 -43.0 91.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 123.994 0.918 . . . . 0.0 110.967 174.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.96 -42.94 99.97 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 118.547 0.612 . . . . 0.0 111.371 177.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 4.9 mmt -69.08 -25.62 64.52 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.393 1.077 . . . . 0.0 112.749 -179.379 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 82.8 mmm -79.52 -36.48 38.44 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 118.902 0.774 . . . . 0.0 111.411 169.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -67.54 -27.03 66.61 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.061 -1.025 . . . . 0.0 112.532 175.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -62.95 -19.99 64.8 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.262 1.025 . . . . 0.0 113.321 171.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 30.0 m -109.82 14.93 8.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 125.288 1.435 . . . . 0.0 112.632 170.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.87 16.75 78.18 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 125.091 1.329 . . . . 0.0 115.204 175.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.1 mt -101.96 125.32 56.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 C-N-CA 124.954 1.302 . . . . 0.0 109.666 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -95.16 123.54 38.71 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 121.018 0.437 . . . . 0.0 112.143 -178.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.5 pt -126.65 15.91 3.73 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 C-N-CA 125.586 1.554 . . . . 0.0 112.232 169.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.8 m -62.15 -26.11 68.13 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 120.812 -1.18 . . . . 0.0 113.563 -170.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -82.5 2.21 85.89 Favored Glycine 0 CA--C 1.539 1.549 0 C-N-CA 125.044 1.307 . . . . 0.0 115.25 175.345 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -73.38 154.54 40.01 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 119.88 1.84 . . . . 0.0 111.736 177.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 25.5 p -136.59 162.31 33.47 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 127.855 2.462 . . . . 0.0 106.991 169.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 77.2 p -87.52 146.82 25.63 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.258 -0.901 . . . . 0.0 112.315 172.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -143.95 146.82 35.75 Favored Pre-proline 0 N--CA 1.479 0.988 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -86.39 147.12 8.68 Favored 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 123.723 2.948 . . . . 0.0 113.894 -175.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.6 tt -56.98 -34.0 43.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 127.022 2.129 . . . . 0.0 112.075 178.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -59.7 -25.37 64.74 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.924 1.29 . . . . 0.0 114.068 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.32 -12.4 40.65 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 178.723 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -99.01 171.36 8.09 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.887 1.275 . . . . 0.0 114.028 -169.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -122.27 85.48 2.42 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.179 1.392 . . . . 0.0 113.224 -169.628 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.62 -33.63 34.0 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -57.55 -28.11 63.25 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.243 1.417 . . . . 0.0 114.244 -178.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -86.46 -32.62 20.73 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 177.113 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -74.54 110.72 9.06 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 -176.044 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -53.39 -37.27 62.32 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 121.795 -0.566 . . . . 0.0 111.02 174.42 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.5 t -133.16 138.31 51.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 C-N-CA 124.334 1.054 . . . . 0.0 110.192 -175.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 45.9 t -124.73 138.3 54.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.127 0.971 . . . . 0.0 109.995 173.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 23.6 mm -129.18 125.84 63.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 124.277 1.031 . . . . 0.0 109.955 -174.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.9 t -92.09 141.74 28.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.402 0.62 . . . . 0.0 109.509 168.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.3 mp . . . . . 0 CA--C 1.534 0.363 0 C-N-CA 124.689 1.196 . . . . 0.0 109.117 172.626 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 60.7 t . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -141.29 -3.29 1.2 Allowed 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 116.057 1.873 . . . . 0.0 116.057 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 43.3 mt 44.52 59.82 13.04 Favored Pre-proline 0 CA--C 1.553 1.083 0 C-N-CA 125.995 1.718 . . . . 0.0 114.756 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -58.65 -17.79 37.16 Favored 'Trans proline' 0 CA--C 1.557 1.627 0 N-CA-C 118.784 2.571 . . . . 0.0 118.784 -177.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_exo -76.01 -159.76 0.1 OUTLIER 'Trans proline' 0 C--N 1.362 1.256 0 CA-C-N 124.044 2.48 . . . . 0.0 113.864 176.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -59.04 -7.73 1.2 Allowed 'General case' 0 N--CA 1.479 0.982 0 O-C-N 120.064 -1.647 . . . . 0.0 115.146 174.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -60.32 -15.41 25.19 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.365 1.466 . . . . 0.0 114.524 172.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 34.7 m -117.84 3.2 7.34 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 173.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 43.8 p -96.15 4.03 52.79 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.181 0.992 . . . . 0.0 113.21 178.002 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -75.09 -179.37 4.31 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.286 1.034 . . . . 0.0 112.029 177.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -63.34 -41.36 98.87 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 121.358 -0.839 . . . . 0.0 112.827 -169.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 44.7 mt -136.98 139.33 44.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 124.82 1.248 . . . . 0.0 109.779 171.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -127.73 135.52 50.27 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.469 1.108 . . . . 0.0 110.243 168.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -134.46 155.11 50.92 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.746 1.218 . . . . 0.0 111.693 176.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -132.79 94.29 3.36 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.51 1.124 . . . . 0.0 109.881 175.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 28.3 m95 -91.0 100.92 13.7 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.546 0.738 . . . . 0.0 109.534 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -85.15 113.28 21.42 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.281 0.632 . . . . 0.0 110.084 -174.007 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 66.7 mt -121.23 170.25 9.77 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.506 1.522 . . . . 0.0 112.277 -174.065 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 25.2 mp0 -64.65 164.55 11.78 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.08 1.752 . . . . 0.0 111.366 172.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -113.66 99.89 50.85 Favored Pre-proline 0 CA--C 1.547 0.853 0 C-N-CA 125.295 1.438 . . . . 0.0 111.474 -178.549 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -74.23 -15.02 23.0 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 123.59 2.86 . . . . 0.0 116.46 -173.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -59.8 107.92 0.68 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.047 0.939 . . . . 0.0 111.514 -175.449 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.16 13.14 74.91 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 124.071 0.843 . . . . 0.0 114.831 -177.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -91.93 -105.74 0.11 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.726 1.21 . . . . 0.0 111.054 178.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.1 t -158.69 167.8 28.55 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.802 1.641 . . . . 0.0 110.281 173.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 81.6 mt -59.04 -35.55 73.51 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.494 1.118 . . . . 0.0 112.851 178.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -59.67 -36.25 76.06 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.529 0.732 . . . . 0.0 111.958 173.437 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 91.4 t -78.32 -35.39 19.49 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 O-C-N 122.068 -0.395 . . . . 0.0 110.654 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -62.43 -44.32 96.69 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.782 -0.574 . . . . 0.0 110.92 169.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -60.37 -41.54 93.93 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.088 1.355 . . . . 0.0 112.001 175.277 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 52.6 m -60.51 -43.41 97.1 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.463 1.105 . . . . 0.0 111.575 176.029 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.46 -48.53 66.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 O-C-N 121.189 -0.944 . . . . 0.0 112.358 172.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 -52.32 -47.52 65.94 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 126.061 1.744 . . . . 0.0 112.15 -178.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -61.87 -37.52 94.49 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 123.745 0.688 . . . . 0.0 113.305 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -71.85 -48.63 44.69 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 117.83 0.815 . . . . 0.0 111.077 175.002 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 60.4 t -53.24 -44.38 52.96 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.309 0 CA-C-N 119.679 1.127 . . . . 0.0 111.224 174.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -56.94 -54.92 41.19 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.794 0.838 . . . . 0.0 111.214 174.29 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -65.35 -37.51 87.27 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 118.753 -0.641 . . . . 0.0 112.711 -175.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -63.93 -44.13 93.8 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.473 1.033 . . . . 0.0 110.8 176.11 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 12.2 t -61.52 -49.76 83.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-O 117.676 -1.154 . . . . 0.0 113.049 172.422 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -58.58 -36.29 73.74 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 121.05 1.75 . . . . 0.0 112.546 178.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.7 -20.56 59.81 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 178.768 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 54.8 tp -89.56 -47.94 7.64 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.3 1.44 . . . . 0.0 111.679 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 11.0 pt -64.46 -27.96 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 CA-C-N 119.476 1.035 . . . . 0.0 112.866 -177.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.19 -18.1 63.87 Favored 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 174.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -88.71 -40.1 13.5 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.851 1.26 . . . . 0.0 112.983 175.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.256 1.6 pp -106.27 -1.41 9.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 N-CA-C 116.813 2.153 . . . . 0.0 116.813 -169.736 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 66.0 p . . . . . 0 C--O 1.256 1.405 0 CA-C-N 120.042 1.292 . . . . 0.0 113.866 176.403 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.474 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 19.8 ttt . . . . . 0 N--CA 1.489 1.477 0 CA-C-O 119.386 -0.34 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -128.91 166.42 19.15 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 125.153 1.381 . . . . 0.0 112.105 173.325 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -105.28 137.89 42.35 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.633 1.173 . . . . 0.0 111.721 -178.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.6 t -124.95 139.95 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 124.82 1.248 . . . . 0.0 110.053 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.0 tpp -133.09 133.66 43.26 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.86 0.864 . . . . 0.0 109.86 -178.125 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -104.03 139.59 38.93 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.485 0.714 . . . . 0.0 111.584 -176.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.4 t -120.55 128.69 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 126.805 2.042 . . . . 0.0 110.602 174.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.6 t -127.13 165.65 19.14 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.406 1.483 . . . . 0.0 108.305 169.284 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -34.67 78.21 Favored 'General case' 0 N--CA 1.485 1.292 0 O-C-N 120.776 -1.202 . . . . 0.0 112.788 -172.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.274 0.2 OUTLIER -133.29 9.28 4.04 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 117.439 2.385 . . . . 0.0 117.439 173.401 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 51.64 31.5 7.92 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 127.255 2.222 . . . . 0.0 116.427 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.0 p -87.42 -35.87 18.05 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.413 1.485 . . . . 0.0 112.873 174.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.3 p -144.75 174.76 10.71 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.443 1.897 . . . . 0.0 110.941 -169.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.1 mtm-85 56.29 -76.41 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 127.065 2.146 . . . . 0.0 114.399 -173.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.7 p -45.63 -42.9 11.87 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 126.82 2.048 . . . . 0.0 114.367 176.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -70.46 -36.07 73.69 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.022 0.529 . . . . 0.0 111.135 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.4 mtp -74.26 -32.64 63.01 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.592 1.157 . . . . 0.0 111.632 176.169 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.29 -44.13 95.92 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.283 1.033 . . . . 0.0 111.457 171.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -61.26 -42.81 99.27 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.242 0.617 . . . . 0.0 111.077 170.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.94 -49.12 60.05 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 125.6 1.572 . . . . 0.0 114.841 172.41 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -70.42 -46.38 64.06 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 120.725 -1.456 . . . . 0.0 111.616 176.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.47 -40.38 96.95 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -176.429 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -64.12 -26.42 68.53 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 119.776 1.171 . . . . 0.0 113.113 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.2 m -89.82 -52.56 4.92 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.823 1.649 . . . . 0.0 112.062 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 74.1 mt -82.24 -31.58 30.14 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.825 1.25 . . . . 0.0 112.008 -172.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -96.42 11.51 66.92 Favored Glycine 0 CA--C 1.526 0.729 0 C-N-CA 126.131 1.824 . . . . 0.0 114.151 175.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.72 113.05 0.81 Allowed 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 119.815 1.807 . . . . 0.0 112.727 -179.054 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.12 -17.38 17.84 Favored Glycine 0 CA--C 1.538 1.47 0 C-N-CA 125.131 1.348 . . . . 0.0 114.953 -176.398 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.474 ' O ' ' HA ' ' A' ' 1' ' ' MET . 29.4 mtpp -78.8 -38.2 38.87 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.165 1.386 . . . . 0.0 110.356 169.657 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.4 pp -144.42 169.51 9.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 125.179 1.392 . . . . 0.0 112.89 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -123.72 142.6 50.93 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.95 1.3 . . . . 0.0 108.142 168.128 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -135.81 151.63 29.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 N-CA-C 115.216 1.561 . . . . 0.0 115.216 -169.411 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.6 m -140.72 147.95 39.98 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.653 1.581 . . . . 0.0 109.316 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.3 t -115.55 140.06 49.51 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.14 0.976 . . . . 0.0 112.312 173.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 14.3 p -153.12 -178.27 6.83 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.593 1.157 . . . . 0.0 112.644 175.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -153.92 166.09 31.84 Favored Glycine 0 N--CA 1.466 0.686 0 O-C-N 120.243 -1.536 . . . . 0.0 112.59 169.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.546 HD23 ' H ' ' A' ' 37' ' ' LEU 0.26 0.6 OUTLIER -66.85 -11.23 54.94 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 118.257 1.028 . . . . 0.0 113.481 176.874 . . . . . . . . 4 4 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -142.52 165.85 26.27 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 127.621 2.368 . . . . 0.0 108.113 168.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.2 p -125.44 118.35 25.65 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.121 0.968 . . . . 0.0 111.953 176.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.5 t -99.71 -125.23 0.16 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.628 1.571 . . . . 0.0 109.43 175.072 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.0 146.12 48.73 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 127.574 2.349 . . . . 0.0 109.543 170.736 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -58.79 133.43 23.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 CA-C-N 119.049 0.841 . . . . 0.0 109.544 169.424 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -74.45 128.85 85.14 Favored Pre-proline 0 CA--C 1.534 0.365 0 CA-C-O 119.077 -0.487 . . . . 0.0 110.357 -176.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -72.33 -28.03 15.6 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 CA-C-N 120.144 1.087 . . . . 0.0 111.998 -171.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.0 m -72.9 -27.71 62.04 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.49 -0.756 . . . . 0.0 111.64 175.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.73 -48.41 79.69 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 121.0 -1.062 . . . . 0.0 111.703 173.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.6 mt -57.8 -46.84 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 123.508 0.723 . . . . 0.0 109.944 175.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.2 -37.27 79.73 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 9.0 mmt -77.56 -28.61 51.85 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.502 1.121 . . . . 0.0 111.876 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 84.0 mmm -75.73 -29.68 58.99 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.989 0.813 . . . . 0.0 111.797 169.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -68.21 -24.22 64.91 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.066 -1.021 . . . . 0.0 112.752 174.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -62.41 -28.31 69.7 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.727 1.149 . . . . 0.0 112.785 173.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.0 m -102.15 10.15 8.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 125.663 1.585 . . . . 0.0 112.54 176.091 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.59 22.56 78.3 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 125.084 1.326 . . . . 0.0 115.198 176.171 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 65.9 mt -108.85 138.23 36.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 125.201 1.401 . . . . 0.0 110.555 -176.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -107.0 125.0 50.43 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.41 1.084 . . . . 0.0 113.056 -176.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.3 pt -130.54 23.57 1.84 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.931 0 C-N-CA 125.687 1.595 . . . . 0.0 112.125 169.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.3 t -76.5 -28.66 56.52 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 120.526 -1.359 . . . . 0.0 112.731 -178.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -79.01 8.89 41.71 Favored Glycine 0 CA--C 1.538 1.469 0 C-N-CA 125.396 1.474 . . . . 0.0 115.97 -178.332 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -134.24 160.4 37.97 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.281 1.433 . . . . 0.0 111.137 -178.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.2 t -142.92 -172.97 3.77 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 123.545 0.738 . . . . 0.0 109.67 171.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 25.2 m -61.4 134.5 56.97 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 124.477 1.111 . . . . 0.0 113.162 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -137.47 145.35 48.97 Favored Pre-proline 0 CA--C 1.549 0.925 0 C-N-CA 124.185 0.994 . . . . 0.0 113.23 171.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -86.92 144.75 7.4 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 123.368 2.712 . . . . 0.0 113.998 -170.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 11.1 tt -54.72 -34.54 30.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 127.475 2.31 . . . . 0.0 112.019 178.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -63.82 -23.19 67.26 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.545 1.138 . . . . 0.0 113.955 -177.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.83 -13.28 39.69 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 177.43 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -98.1 171.47 8.22 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.119 1.368 . . . . 0.0 113.55 -170.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -122.86 83.9 2.19 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.256 1.422 . . . . 0.0 113.076 -169.468 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.89 -28.12 55.17 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 -177.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -58.38 -31.51 67.72 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.462 1.505 . . . . 0.0 113.832 178.332 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -86.02 -33.44 21.04 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -70.02 114.62 8.37 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -60.61 -32.12 71.27 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.744 -0.597 . . . . 0.0 111.084 176.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 93.6 t -135.73 140.17 44.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 125.407 1.483 . . . . 0.0 110.361 -176.099 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 43.0 t -128.76 136.18 60.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.311 1.044 . . . . 0.0 110.215 176.218 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 31.5 mm -127.95 113.46 30.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 C-N-CA 123.915 0.886 . . . . 0.0 110.033 -170.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 21.2 t -84.02 145.89 28.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.452 0.644 . . . . 0.0 109.927 169.067 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 mp . . . . . 0 CA--C 1.538 0.519 0 C-N-CA 125.316 1.446 . . . . 0.0 108.733 172.553 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 58.1 t . . . . . 0 N--CA 1.477 0.922 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -131.46 -0.77 3.96 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 114.887 1.44 . . . . 0.0 114.887 -177.602 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.443 HD13 ' HB3' ' A' ' 90' ' ' TRP . 44.8 mt 42.87 64.5 6.26 Favored Pre-proline 0 N--CA 1.481 1.118 0 C-N-CA 126.207 1.803 . . . . 0.0 114.767 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -50.71 -27.95 21.38 Favored 'Trans proline' 0 CA--C 1.556 1.609 0 C-N-CA 123.504 2.803 . . . . 0.0 119.314 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -76.51 -156.87 0.06 OUTLIER 'Trans proline' 0 CA--C 1.547 1.126 0 C-N-CA 122.72 2.28 . . . . 0.0 114.927 -177.192 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -55.39 -3.7 0.07 Allowed 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 126.302 1.841 . . . . 0.0 115.237 169.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.443 ' HB3' HD13 ' A' ' 86' ' ' LEU . 91.5 m95 -76.33 5.1 7.57 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.672 1.989 . . . . 0.0 115.271 174.02 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 34.6 m -134.52 11.77 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 124.94 1.296 . . . . 0.0 113.446 170.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 82.4 p -97.91 9.95 41.47 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 125.013 1.325 . . . . 0.0 112.851 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 19.6 mp0 -59.44 174.06 0.46 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 129.008 2.923 . . . . 0.0 113.811 177.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -68.42 -40.86 81.07 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.342 169.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 36.1 mt -136.29 138.01 47.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 125.12 1.368 . . . . 0.0 109.991 171.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -125.53 136.33 53.21 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.489 1.116 . . . . 0.0 109.116 168.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -130.34 158.22 40.41 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.237 1.015 . . . . 0.0 112.073 177.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -136.13 92.19 2.76 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.621 1.169 . . . . 0.0 109.719 171.574 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 50.5 m95 -88.04 97.51 11.01 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.611 0.72 . . . . 0.0 110.156 -178.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -80.44 123.79 28.35 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.389 0.676 . . . . 0.0 110.738 -172.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 77.0 mt -142.54 168.81 18.85 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.18 1.792 . . . . 0.0 110.4 -178.057 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -73.42 178.14 4.79 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 122.249 1.023 . . . . 0.0 112.677 175.23 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -119.57 98.14 49.99 Favored Pre-proline 0 CA--C 1.545 0.775 0 C-N-CA 124.607 1.163 . . . . 0.0 113.249 -169.468 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -71.18 -15.51 31.86 Favored 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 123.968 3.112 . . . . 0.0 116.904 -172.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -56.61 100.77 0.05 OUTLIER 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.797 1.639 . . . . 0.0 111.512 -177.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 86.14 14.27 67.07 Favored Glycine 0 CA--C 1.54 1.628 0 C-N-CA 124.468 1.033 . . . . 0.0 115.609 -177.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 -90.05 -103.56 0.09 Allowed 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 118.897 1.349 . . . . 0.0 111.782 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 60.7 p -154.35 163.78 39.63 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 126.282 1.833 . . . . 0.0 110.633 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 49.6 mt -63.07 -37.27 86.54 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.497 -0.752 . . . . 0.0 111.723 177.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -59.96 -39.48 85.77 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.703 -0.623 . . . . 0.0 112.115 174.206 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 74.9 t -70.98 -38.29 71.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 O-C-N 121.252 -0.905 . . . . 0.0 111.378 174.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -60.58 -47.38 86.45 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 119.762 1.165 . . . . 0.0 111.586 172.233 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -61.85 -38.82 89.67 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.631 1.173 . . . . 0.0 111.764 177.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 58.2 m -62.46 -38.84 91.35 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.186 0.994 . . . . 0.0 111.888 176.202 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 42.0 t -75.02 -46.2 40.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 O-C-N 121.588 -0.695 . . . . 0.0 111.577 174.041 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -52.07 -49.13 64.13 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 126.095 1.758 . . . . 0.0 112.171 -177.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -61.26 -35.22 90.59 Favored Glycine 0 N--CA 1.474 1.225 0 C-N-CA 123.466 0.555 . . . . 0.0 113.4 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -78.0 -46.58 20.61 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 121.934 -0.745 . . . . 0.0 111.482 177.364 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 66.1 t -54.43 -41.64 54.64 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 O-C-N 121.146 -0.971 . . . . 0.0 111.152 173.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 36.1 tttm -58.04 -57.12 14.22 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.483 1.113 . . . . 0.0 111.703 172.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -64.5 -35.82 82.18 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 118.898 -0.572 . . . . 0.0 112.154 -174.205 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -63.34 -42.24 98.92 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 119.161 0.892 . . . . 0.0 110.1 177.055 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 10.0 t -64.01 -49.03 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-O 117.564 -1.208 . . . . 0.0 113.449 171.244 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -58.61 -36.17 73.61 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 121.294 1.861 . . . . 0.0 112.824 177.223 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.81 -26.01 60.4 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 112.762 0.652 . . . . 0.0 112.762 178.579 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 53.2 tp -81.34 -49.04 11.18 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 124.894 1.278 . . . . 0.0 111.649 178.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.6 pt -64.66 -27.56 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-N 119.231 0.923 . . . . 0.0 112.488 -175.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.03 -21.83 65.0 Favored 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 174.402 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -85.02 -40.52 16.77 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.63 1.172 . . . . 0.0 113.169 176.003 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.282 1.9 pp -108.35 4.82 9.56 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 N-CA-C 116.224 1.935 . . . . 0.0 116.224 -169.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 C--O 1.253 1.238 0 C-N-CA 124.415 1.086 . . . . 0.0 111.841 169.752 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.462 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 56.6 ttm . . . . . 0 N--CA 1.488 1.473 0 CA-C-O 119.852 -0.118 . . . . 0.0 111.29 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -129.6 167.49 17.87 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 125.928 1.691 . . . . 0.0 110.874 169.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -107.82 139.1 42.92 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.978 1.311 . . . . 0.0 111.106 -174.079 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.9 t -123.65 139.74 49.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 124.584 1.153 . . . . 0.0 109.719 177.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.5 tpp -133.25 133.89 43.24 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 123.886 0.875 . . . . 0.0 110.32 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -107.8 130.93 54.94 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 124.164 0.986 . . . . 0.0 110.866 -175.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.4 t -110.37 128.98 66.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 126.887 2.075 . . . . 0.0 109.448 172.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 32.4 t -130.2 168.05 17.45 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.099 0.96 . . . . 0.0 110.749 170.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.65 -30.05 67.67 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -169.75 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.315 0.1 OUTLIER -135.33 15.77 3.45 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 115.852 1.797 . . . . 0.0 115.852 169.887 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 49.31 37.75 12.21 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 127.558 2.343 . . . . 0.0 115.466 -177.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.3 p -99.83 -36.8 9.31 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 -171.202 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.5 p -135.03 -74.93 0.46 Allowed 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -169.314 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.2 mtt85 -56.78 -48.12 78.6 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 -169.443 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.1 p -66.98 -32.63 73.99 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.798 0.839 . . . . 0.0 112.303 178.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -72.17 -40.23 68.1 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.262 0.625 . . . . 0.0 111.014 178.114 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 43.3 mtt -63.51 -38.88 92.83 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.719 0.808 . . . . 0.0 111.958 170.038 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.19 -44.06 89.62 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.33 0.652 . . . . 0.0 111.37 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -61.86 -41.61 98.05 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 118.814 -0.612 . . . . 0.0 111.396 169.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.99 -48.71 71.45 Favored Glycine 0 N--CA 1.471 0.98 0 C-N-CA 124.421 1.01 . . . . 0.0 113.968 176.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -69.91 -44.58 69.37 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 118.634 1.217 . . . . 0.0 111.593 175.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.4 -40.54 89.68 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -177.013 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -67.24 -25.06 65.9 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-N 119.61 1.096 . . . . 0.0 113.112 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.4 m -86.27 -57.89 2.84 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.692 1.597 . . . . 0.0 112.613 175.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 75.5 mt -80.94 -25.66 37.25 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.201 1.4 . . . . 0.0 112.432 -172.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -99.6 6.43 59.01 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 126.568 2.033 . . . . 0.0 114.542 177.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.47 114.16 1.16 Allowed 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 119.741 1.77 . . . . 0.0 112.543 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.0 -13.5 56.6 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 124.538 1.066 . . . . 0.0 114.615 -178.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 1' ' ' MET . 25.8 mtpt -89.19 -38.99 13.86 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.68 1.592 . . . . 0.0 110.987 169.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 pp -140.59 173.35 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 124.687 1.195 . . . . 0.0 113.616 -176.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -129.26 141.15 51.2 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.427 1.491 . . . . 0.0 108.122 168.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -138.12 151.04 24.84 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 -169.35 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.5 m -140.08 144.77 36.99 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.269 1.428 . . . . 0.0 110.232 177.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.0 t -111.06 136.03 50.68 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.932 1.693 . . . . 0.0 111.894 172.082 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 14.3 p -149.76 -179.48 7.15 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.572 1.549 . . . . 0.0 112.082 176.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -149.2 167.04 29.53 Favored Glycine 0 N--CA 1.466 0.68 0 O-C-N 119.914 -1.741 . . . . 0.0 112.358 169.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.512 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -64.45 -13.18 50.26 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 118.695 1.247 . . . . 0.0 113.392 175.51 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -153.56 159.47 42.19 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 127.807 2.443 . . . . 0.0 108.167 168.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.9 p -113.38 143.65 44.1 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.694 1.198 . . . . 0.0 112.256 -177.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 35.2 t -128.53 -101.47 0.33 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.618 1.167 . . . . 0.0 110.548 170.169 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.67 158.3 44.05 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 125.536 1.534 . . . . 0.0 110.892 170.633 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.2 t -61.42 130.17 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 CA-C-N 119.322 0.964 . . . . 0.0 108.937 170.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -66.87 124.33 88.37 Favored Pre-proline 0 CA--C 1.531 0.219 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 175.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -68.58 -25.68 34.49 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 CA-C-N 120.233 1.119 . . . . 0.0 112.092 -169.146 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.9 m -69.76 -29.3 66.61 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.134 -0.979 . . . . 0.0 111.853 172.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.33 -45.61 92.84 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 120.611 -1.306 . . . . 0.0 111.717 173.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.2 mt -58.87 -45.94 91.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 123.471 0.708 . . . . 0.0 110.19 174.201 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.25 -37.28 79.92 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 178.073 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 9.9 mmt -75.83 -27.31 57.82 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.496 1.119 . . . . 0.0 112.164 179.034 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 85.3 mmm -76.49 -30.64 57.33 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.123 0.874 . . . . 0.0 111.531 169.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -67.63 -24.53 65.47 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.085 -1.01 . . . . 0.0 112.971 174.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -61.54 -31.56 71.58 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 119.647 1.112 . . . . 0.0 112.905 173.38 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.8 m -97.34 9.77 6.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.174 1.389 . . . . 0.0 112.403 176.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.02 20.97 80.18 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 125.032 1.301 . . . . 0.0 114.936 177.307 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 68.7 mt -105.95 135.38 44.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 125.127 1.371 . . . . 0.0 110.074 -177.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -103.2 119.77 39.48 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.68 0.792 . . . . 0.0 112.536 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.6 pt -122.14 12.35 5.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 125.031 1.332 . . . . 0.0 112.583 169.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.3 t -66.66 -27.24 67.51 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 120.677 -1.265 . . . . 0.0 112.782 -176.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -75.91 0.47 62.05 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 124.784 1.183 . . . . 0.0 115.329 173.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -91.01 154.77 19.19 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 119.403 1.601 . . . . 0.0 110.848 175.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 28.2 p -146.87 152.37 38.6 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 128.806 2.842 . . . . 0.0 105.324 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.1 m -78.28 140.36 38.84 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.213 -0.93 . . . . 0.0 113.138 -170.026 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -138.11 145.68 48.69 Favored Pre-proline 0 N--CA 1.482 1.138 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -90.21 150.17 4.6 Favored 'Trans proline' 0 CA--C 1.541 0.838 0 C-N-CA 123.808 3.005 . . . . 0.0 114.05 -172.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.7 tt -58.11 -36.25 56.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 126.438 1.895 . . . . 0.0 112.003 -178.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -62.62 -21.86 65.97 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 114.363 1.245 . . . . 0.0 114.363 -177.258 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.89 -13.11 42.84 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 113.758 1.022 . . . . 0.0 113.758 176.566 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -99.4 172.34 7.39 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.219 1.407 . . . . 0.0 113.579 -170.08 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -123.12 89.7 3.16 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.098 1.359 . . . . 0.0 113.215 -169.684 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.11 -33.93 28.41 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -178.026 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -60.83 -24.31 65.77 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.109 1.364 . . . . 0.0 114.338 -177.024 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -100.67 7.73 43.76 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.717 0.807 . . . . 0.0 113.058 178.17 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -111.31 98.59 7.6 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 124.154 0.982 . . . . 0.0 108.747 174.188 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -54.49 -32.28 57.6 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.686 -0.634 . . . . 0.0 111.786 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 42.2 t -127.24 137.09 58.82 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 C-N-CA 124.801 1.24 . . . . 0.0 111.073 174.089 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.6 t -120.82 138.78 50.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 123.977 0.911 . . . . 0.0 109.848 170.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 29.1 mm -124.95 132.83 70.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 124.619 1.168 . . . . 0.0 109.263 -177.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.3 t -101.14 141.33 34.18 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.688 0.795 . . . . 0.0 109.879 169.002 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 mp . . . . . 0 N--CA 1.467 0.375 0 C-N-CA 125.732 1.613 . . . . 0.0 109.369 -177.926 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 59.7 t . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -132.82 -6.7 3.16 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 115.429 1.641 . . . . 0.0 115.429 -175.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.2 mt 42.92 65.75 5.05 Favored Pre-proline 0 N--CA 1.483 1.203 0 C-N-CA 126.103 1.761 . . . . 0.0 114.682 -177.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -51.04 -28.65 25.27 Favored 'Trans proline' 0 CA--C 1.554 1.482 0 C-N-CA 123.677 2.918 . . . . 0.0 119.058 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -76.67 -160.84 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 C-N-CA 122.604 2.203 . . . . 0.0 114.679 -176.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -58.97 -8.07 1.28 Allowed 'General case' 0 N--CA 1.477 0.918 0 O-C-N 120.155 -1.591 . . . . 0.0 115.115 175.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 90.6 m95 -59.24 -15.14 13.66 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.549 1.54 . . . . 0.0 114.654 171.366 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 32.9 m -118.3 4.22 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 124.518 1.127 . . . . 0.0 113.929 174.181 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 41.7 p -98.62 7.8 45.68 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.71 1.204 . . . . 0.0 113.133 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -77.12 -175.05 3.44 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 124.901 1.28 . . . . 0.0 111.174 176.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -65.24 -39.05 92.17 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 120.48 -1.388 . . . . 0.0 112.237 -171.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 49.4 mt -140.96 137.75 34.46 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 C-N-CA 125.403 1.481 . . . . 0.0 109.004 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -128.6 135.66 49.65 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.174 0.99 . . . . 0.0 109.873 168.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -134.41 154.52 51.33 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.425 1.09 . . . . 0.0 111.759 177.107 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -128.31 99.25 5.36 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.644 1.178 . . . . 0.0 110.794 177.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.409 ' CE2' ' HB3' ' A' ' 122' ' ' ARG . 37.9 m0 -89.47 81.21 6.59 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 125.522 1.529 . . . . 0.0 110.377 -176.526 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -72.43 115.67 11.97 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 122.971 0.508 . . . . 0.0 110.321 179.119 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 95.2 mt -135.67 166.58 22.91 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.176 1.79 . . . . 0.0 110.154 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -69.81 176.23 3.78 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.684 0.794 . . . . 0.0 112.197 177.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -117.64 97.88 51.18 Favored Pre-proline 0 CA--C 1.545 0.771 0 C-N-CA 124.463 1.105 . . . . 0.0 112.018 -169.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -70.59 -14.99 33.94 Favored 'Trans proline' 0 C--N 1.357 1.017 0 C-N-CA 123.785 2.99 . . . . 0.0 116.612 -171.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -55.11 106.99 0.26 Allowed 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.453 1.501 . . . . 0.0 111.846 -178.058 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 78.91 14.57 81.86 Favored Glycine 0 CA--C 1.539 1.57 0 N-CA-C 115.203 0.841 . . . . 0.0 115.203 -178.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -90.09 -99.93 0.1 Allowed 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 118.589 1.195 . . . . 0.0 111.049 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.7 t -157.12 166.03 34.4 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 125.707 1.603 . . . . 0.0 110.066 172.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 42.9 mt -59.62 -39.19 83.47 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 124.207 1.003 . . . . 0.0 112.37 178.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -59.04 -35.17 72.85 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.61 -0.681 . . . . 0.0 112.339 174.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 92.5 t -73.73 -38.94 52.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 O-C-N 121.413 -0.804 . . . . 0.0 111.081 175.376 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -60.39 -46.66 89.2 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 118.705 0.684 . . . . 0.0 111.598 171.15 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -60.98 -39.34 89.24 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.61 1.164 . . . . 0.0 111.815 176.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 58.8 m -64.29 -39.59 94.23 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.283 1.033 . . . . 0.0 112.118 177.329 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 53.2 t -72.22 -47.09 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 O-C-N 121.411 -0.805 . . . . 0.0 111.387 172.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -49.96 -49.71 49.28 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 126.473 1.909 . . . . 0.0 112.712 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -62.66 -34.59 90.05 Favored Glycine 0 N--CA 1.476 1.329 0 C-N-CA 123.716 0.674 . . . . 0.0 113.523 -179.086 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -78.0 -43.38 29.68 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 121.915 -0.756 . . . . 0.0 111.635 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 58.0 t -56.22 -43.0 75.22 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 O-C-N 121.014 -1.054 . . . . 0.0 111.218 170.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -57.87 -54.86 42.18 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.206 1.002 . . . . 0.0 111.654 174.151 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -65.41 -35.09 79.9 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -174.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.409 ' HB3' ' CE2' ' A' ' 99' ' ' TRP . 28.7 mmm180 -64.62 -43.76 92.69 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 119.338 0.972 . . . . 0.0 111.065 173.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 20.5 t -58.81 -50.0 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-N 119.497 1.044 . . . . 0.0 113.208 171.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -61.06 -34.92 75.66 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 120.376 1.444 . . . . 0.0 112.417 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.91 -26.79 61.54 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 176.742 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 52.9 tp -82.82 -45.19 14.61 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.551 1.141 . . . . 0.0 111.956 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 9.6 pt -64.08 -28.89 45.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 O-C-N 120.759 -1.213 . . . . 0.0 112.718 -178.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.08 -21.8 64.04 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 173.373 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -85.58 -45.7 11.5 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.252 1.421 . . . . 0.0 112.875 175.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.329 1.8 pp -103.12 3.6 10.66 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 N-CA-C 116.375 1.991 . . . . 0.0 116.375 -171.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 42.7 t . . . . . 0 C--O 1.257 1.49 0 CA-C-N 119.94 1.246 . . . . 0.0 111.416 169.464 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.458 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 55.9 ttm . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 111.559 0.207 . . . . 0.0 111.559 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -128.82 165.52 20.83 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 126.121 1.768 . . . . 0.0 110.499 169.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -106.93 139.72 40.88 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.898 1.279 . . . . 0.0 110.886 -176.03 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.7 t -123.34 140.81 45.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 124.442 1.097 . . . . 0.0 109.941 177.322 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.1 tpp -133.65 133.95 42.57 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 124.001 0.921 . . . . 0.0 110.174 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -106.4 134.29 49.77 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.083 0.953 . . . . 0.0 111.049 -176.447 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.4 t -113.43 126.29 70.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 126.695 1.998 . . . . 0.0 109.949 173.042 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.6 t -122.67 170.78 9.7 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.772 1.629 . . . . 0.0 109.608 170.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.61 -46.44 66.26 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 120.614 -1.304 . . . . 0.0 112.324 -174.161 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.318 0.3 OUTLIER -121.33 8.7 10.26 Favored 'General case' 0 N--CA 1.499 1.98 0 N-CA-C 116.494 2.035 . . . . 0.0 116.494 173.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 54.33 30.47 12.64 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 127.047 2.139 . . . . 0.0 115.662 178.167 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.3 p -94.81 -45.62 7.24 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.166 1.386 . . . . 0.0 112.781 -178.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.0 t -127.25 -174.24 3.11 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.596 1.958 . . . . 0.0 109.927 177.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 59.65 -75.88 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 126.66 1.984 . . . . 0.0 114.376 -175.437 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.9 p -63.06 -33.74 76.09 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 125.076 1.351 . . . . 0.0 112.84 -175.455 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 -69.14 -36.09 77.07 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 121.674 -0.641 . . . . 0.0 111.625 177.358 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 56.5 mtt -69.28 -36.64 77.27 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.528 0.731 . . . . 0.0 111.37 171.208 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.51 -43.06 95.26 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.397 0.679 . . . . 0.0 111.278 179.092 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -62.94 -41.94 99.65 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 118.783 -0.627 . . . . 0.0 111.123 169.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.05 -47.87 77.54 Favored Glycine 0 N--CA 1.473 1.124 0 C-N-CA 124.337 0.97 . . . . 0.0 114.375 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -69.82 -45.49 67.74 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.206 -1.173 . . . . 0.0 111.697 175.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.75 -41.0 92.66 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 -177.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -67.03 -25.04 66.08 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 119.429 1.013 . . . . 0.0 113.34 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.7 m -86.63 -56.95 3.18 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.304 1.441 . . . . 0.0 112.59 175.463 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 74.6 mt -81.66 -27.45 34.05 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.943 1.297 . . . . 0.0 112.199 -171.315 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -97.74 7.08 62.96 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 126.183 1.849 . . . . 0.0 114.469 176.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.64 114.65 1.32 Allowed 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 119.903 1.852 . . . . 0.0 112.343 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.08 -14.44 57.29 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.563 1.078 . . . . 0.0 114.496 -178.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.458 ' O ' ' HA ' ' A' ' 1' ' ' MET . 10.9 mtpt -89.46 -38.58 13.95 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.02 1.328 . . . . 0.0 111.245 169.562 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 pp -140.46 173.29 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 124.414 1.085 . . . . 0.0 113.768 -175.278 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.12 142.07 50.63 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.32 1.448 . . . . 0.0 108.41 168.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -139.27 151.34 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 -169.217 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.9 m -140.76 145.76 36.82 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.516 1.527 . . . . 0.0 110.26 178.28 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.4 t -112.41 136.37 51.97 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.939 1.696 . . . . 0.0 111.91 172.433 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 14.0 p -150.24 -178.36 6.47 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.527 1.531 . . . . 0.0 112.323 176.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -152.78 167.12 31.54 Favored Glycine 0 N--CA 1.467 0.733 0 O-C-N 120.188 -1.57 . . . . 0.0 113.095 169.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.476 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -63.74 -17.78 63.36 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 118.168 0.984 . . . . 0.0 112.691 172.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -139.49 163.43 32.55 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 127.118 2.167 . . . . 0.0 108.275 168.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.7 p -140.32 129.02 23.04 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.742 0.817 . . . . 0.0 111.949 -178.192 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 35.8 t -117.35 -89.15 0.59 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.196 0.999 . . . . 0.0 111.637 177.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.76 155.49 33.15 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.932 2.093 . . . . 0.0 109.746 174.524 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.6 t -60.67 132.82 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 CA-C-N 119.804 1.184 . . . . 0.0 109.048 172.326 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -66.69 123.91 87.09 Favored Pre-proline 0 C--O 1.233 0.215 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 175.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -68.41 -26.0 35.23 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 CA-C-N 120.361 1.165 . . . . 0.0 111.85 -169.238 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.0 m -70.04 -28.81 65.77 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.243 -0.91 . . . . 0.0 111.749 173.1 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.47 -45.72 93.04 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 120.542 -1.349 . . . . 0.0 111.672 173.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.3 mt -57.28 -47.21 84.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 123.356 0.663 . . . . 0.0 110.161 172.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.58 -35.08 75.21 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 10.4 mmt -76.52 -33.88 58.58 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.258 1.023 . . . . 0.0 111.814 178.222 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 87.3 mmm -68.41 -29.95 68.74 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.334 -0.854 . . . . 0.0 111.97 170.546 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -68.1 -19.89 64.89 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 121.17 -0.957 . . . . 0.0 113.081 173.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -62.42 -29.07 70.23 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 119.965 1.257 . . . . 0.0 112.823 173.585 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 31.2 m -103.13 11.24 8.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 125.278 1.431 . . . . 0.0 112.493 176.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.43 18.33 76.86 Favored Glycine 0 CA--C 1.538 1.52 0 C-N-CA 124.723 1.154 . . . . 0.0 115.004 178.321 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 62.6 mt -98.71 136.22 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 125.017 1.327 . . . . 0.0 109.714 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -106.82 123.49 48.23 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.445 0.698 . . . . 0.0 112.012 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 11.2 pt -121.87 14.36 5.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.06 1.344 . . . . 0.0 112.716 169.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.0 m -63.59 -27.35 69.19 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 120.761 -1.212 . . . . 0.0 113.345 -174.025 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -79.25 -0.59 83.64 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 124.925 1.25 . . . . 0.0 115.089 176.599 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -87.62 154.27 20.73 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 119.219 1.509 . . . . 0.0 110.738 176.292 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 24.8 p -146.84 152.89 39.46 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 129.068 2.947 . . . . 0.0 105.122 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 36.5 m -78.59 141.8 37.78 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 121.475 -0.766 . . . . 0.0 112.599 -171.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -140.31 146.64 46.56 Favored Pre-proline 0 N--CA 1.478 0.951 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -89.65 147.0 4.96 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.457 2.771 . . . . 0.0 113.472 -171.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.2 tt -55.01 -35.54 35.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 126.555 1.942 . . . . 0.0 111.757 177.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -60.56 -23.76 64.89 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.926 1.291 . . . . 0.0 114.449 -178.125 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.43 -13.37 35.05 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 178.154 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -97.06 170.88 8.83 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.06 1.344 . . . . 0.0 113.797 -169.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -120.96 88.2 2.89 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.085 1.354 . . . . 0.0 113.034 -169.744 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.49 -34.26 24.46 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -177.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -60.71 -24.57 65.76 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 -177.214 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -98.11 5.49 48.56 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 177.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -109.92 99.55 8.66 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.16 0.984 . . . . 0.0 108.495 175.073 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -54.41 -33.08 58.68 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.674 -0.641 . . . . 0.0 111.945 178.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 40.4 t -126.16 137.23 58.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 C-N-CA 124.775 1.23 . . . . 0.0 111.128 173.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 49.7 t -120.67 138.38 51.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.016 0.926 . . . . 0.0 109.48 169.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 28.5 mm -126.29 124.73 66.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 124.224 1.01 . . . . 0.0 109.248 -177.212 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.6 t -93.01 143.83 25.85 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 168.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.9 mp . . . . . 0 CA--C 1.533 0.327 0 C-N-CA 125.363 1.465 . . . . 0.0 109.695 175.805 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 43.2 t . . . . . 0 N--CA 1.476 0.853 0 CA-C-O 120.333 0.111 . . . . 0.0 111.258 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -131.52 -6.24 3.71 Favored 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 115.405 1.632 . . . . 0.0 115.405 -176.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 61.7 mt 42.45 65.58 4.96 Favored Pre-proline 0 N--CA 1.484 1.255 0 C-N-CA 125.993 1.717 . . . . 0.0 114.863 -176.534 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -50.27 -28.88 21.53 Favored 'Trans proline' 0 CA--C 1.553 1.427 0 C-N-CA 123.627 2.885 . . . . 0.0 119.202 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -76.37 -160.58 0.11 Allowed 'Trans proline' 0 CA--C 1.546 1.124 0 C-N-CA 122.637 2.225 . . . . 0.0 114.674 -177.234 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -59.22 -8.0 1.44 Allowed 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 115.163 1.542 . . . . 0.0 115.163 175.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -59.3 -15.49 16.24 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.844 1.658 . . . . 0.0 114.671 171.551 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.1 m -117.93 3.26 7.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 174.141 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 40.9 p -97.78 7.99 45.46 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.384 1.074 . . . . 0.0 113.307 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -76.72 -174.56 3.05 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.684 1.194 . . . . 0.0 111.397 176.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -65.48 -38.99 91.4 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 120.57 -1.331 . . . . 0.0 112.089 -171.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 44.5 mt -141.69 137.03 31.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 125.408 1.483 . . . . 0.0 109.003 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -128.75 134.47 48.43 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.251 1.02 . . . . 0.0 109.772 169.075 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -133.48 156.45 47.72 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.63 1.172 . . . . 0.0 111.709 177.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -129.68 93.65 3.57 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.519 1.128 . . . . 0.0 110.977 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 32.8 m0 -90.56 77.11 6.48 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.822 1.649 . . . . 0.0 110.924 -176.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -68.36 130.3 42.47 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 121.722 -0.611 . . . . 0.0 110.868 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 57.7 mt -141.46 170.73 15.17 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.109 1.764 . . . . 0.0 110.094 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -72.64 177.65 4.6 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.779 0.832 . . . . 0.0 112.307 173.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -116.07 99.3 52.51 Favored Pre-proline 0 CA--C 1.542 0.649 0 O-C-N 120.755 -1.216 . . . . 0.0 112.034 -175.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -67.28 -15.47 46.0 Favored 'Trans proline' 0 C--N 1.354 0.858 0 C-N-CA 124.003 3.135 . . . . 0.0 116.346 -176.014 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -54.76 107.53 0.3 Allowed 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.778 1.231 . . . . 0.0 111.965 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 79.96 15.18 79.57 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 124.167 0.889 . . . . 0.0 115.058 -178.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -93.17 -99.77 0.13 Allowed 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 118.536 1.168 . . . . 0.0 111.771 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 59.7 p -156.99 162.86 39.59 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 126.463 1.905 . . . . 0.0 110.566 178.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 49.3 mt -63.96 -36.49 84.14 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 121.582 -0.699 . . . . 0.0 111.748 177.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -59.06 -38.64 79.88 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.567 -0.708 . . . . 0.0 112.554 172.475 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.4 t -70.81 -39.18 75.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 O-C-N 121.271 -0.893 . . . . 0.0 111.733 173.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -59.58 -45.66 91.2 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 119.341 0.973 . . . . 0.0 111.762 171.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 80.6 mtt180 -61.79 -39.67 92.54 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.762 1.225 . . . . 0.0 112.026 176.384 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 69.1 m -63.12 -37.37 86.93 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.419 1.088 . . . . 0.0 111.816 177.33 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 38.4 t -72.94 -48.88 42.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 O-C-N 121.4 -0.812 . . . . 0.0 111.323 170.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 60.1 ttp85 -50.83 -48.67 59.77 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.956 1.702 . . . . 0.0 112.571 -178.061 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -63.31 -36.32 93.25 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 123.503 0.573 . . . . 0.0 113.906 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -77.16 -42.47 37.63 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 118.04 0.92 . . . . 0.0 111.789 178.343 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 54.2 t -56.99 -41.99 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 O-C-N 121.287 -0.883 . . . . 0.0 111.365 171.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -57.81 -56.77 17.61 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.895 0.878 . . . . 0.0 111.644 173.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -63.46 -36.52 84.01 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -174.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 15.5 mmp_? -63.45 -45.38 91.12 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 118.828 0.74 . . . . 0.0 110.767 175.341 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 24.1 t -60.35 -48.22 89.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 CA-C-O 117.944 -1.027 . . . . 0.0 113.295 172.025 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -60.78 -34.96 75.27 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 120.685 1.584 . . . . 0.0 112.161 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.26 -26.61 61.17 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 177.346 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 57.4 tp -79.75 -49.85 11.44 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 124.567 1.147 . . . . 0.0 112.139 176.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 8.9 pt -63.3 -27.15 42.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 O-C-N 121.196 -0.94 . . . . 0.0 112.322 -177.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.64 -17.92 63.55 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 176.107 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -103.17 -33.98 9.01 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 115.283 1.586 . . . . 0.0 115.283 175.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.317 2.0 pp -99.46 5.62 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 N-CA-C 115.818 1.784 . . . . 0.0 115.818 179.34 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 61.0 p . . . . . 0 C--O 1.255 1.35 0 CA-C-N 119.8 1.182 . . . . 0.0 113.617 169.899 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.466 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 51.7 ttm . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -129.22 165.83 20.58 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 126.226 1.81 . . . . 0.0 110.496 169.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -107.58 141.37 39.15 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.052 1.341 . . . . 0.0 110.682 -175.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.7 t -125.06 141.23 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 123.983 0.913 . . . . 0.0 110.092 177.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 7.3 tpp -132.87 136.04 45.96 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.094 0.958 . . . . 0.0 110.532 178.53 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -113.37 110.74 20.82 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.761 1.224 . . . . 0.0 111.495 -174.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.4 t -87.63 145.84 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 126.653 1.981 . . . . 0.0 111.482 171.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.9 t -144.54 -175.96 4.86 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.749 2.019 . . . . 0.0 107.677 168.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -63.45 -66.02 0.6 Allowed 'General case' 0 N--CA 1.487 1.377 0 CA-C-N 121.362 1.892 . . . . 0.0 111.256 173.134 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.73 2.82 16.2 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 116.121 1.897 . . . . 0.0 116.121 -170.479 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 53.18 32.51 13.41 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 127.298 2.239 . . . . 0.0 114.542 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.7 p -85.53 -40.54 16.21 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.736 1.214 . . . . 0.0 112.648 -177.277 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.1 t -137.1 -153.08 0.47 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 127.184 2.194 . . . . 0.0 109.318 178.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 48.49 -88.96 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.877 0 C-N-CA 126.896 2.078 . . . . 0.0 113.454 177.334 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.8 p -44.84 -38.77 4.79 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 126.788 2.035 . . . . 0.0 114.857 170.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -67.85 -38.95 83.82 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 121.642 -0.661 . . . . 0.0 112.193 175.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 40.5 mtt -65.88 -35.18 79.93 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 121.16 -0.963 . . . . 0.0 111.549 172.003 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.63 -45.05 88.48 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.721 -0.612 . . . . 0.0 111.635 177.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -62.76 -39.4 94.03 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.843 -0.535 . . . . 0.0 110.737 169.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.85 -45.2 80.87 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 125.765 1.65 . . . . 0.0 114.888 175.033 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -82.48 -38.57 23.7 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.407 1.603 . . . . 0.0 112.898 175.535 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.11 -33.43 75.45 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 120.922 -1.111 . . . . 0.0 112.71 -178.118 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -64.39 -29.61 70.67 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 119.469 1.032 . . . . 0.0 113.214 177.614 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.6 p -91.55 -54.83 3.73 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.218 1.407 . . . . 0.0 112.841 177.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.0 mt -74.51 -24.36 58.97 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.962 1.305 . . . . 0.0 112.539 -175.19 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -101.37 6.27 55.65 Favored Glycine 0 CA--C 1.53 0.969 0 C-N-CA 126.254 1.883 . . . . 0.0 114.92 176.123 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.99 114.02 1.58 Allowed 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 119.876 1.838 . . . . 0.0 112.552 -176.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.5 -12.59 58.53 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.454 1.026 . . . . 0.0 114.338 -178.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.466 ' O ' ' HA ' ' A' ' 1' ' ' MET . 30.1 mtpt -88.61 -42.26 12.14 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.585 1.554 . . . . 0.0 110.824 169.662 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.3 pp -139.97 174.0 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.906 1.282 . . . . 0.0 113.237 -174.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -129.08 140.55 51.54 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.178 1.391 . . . . 0.0 108.637 168.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.41 152.25 27.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 -169.341 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.9 m -146.33 152.23 38.78 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.833 1.653 . . . . 0.0 109.455 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 83.8 p -125.42 150.91 46.85 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 120.687 -1.258 . . . . 0.0 111.37 169.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 16.3 p -154.66 -178.42 7.17 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.797 1.239 . . . . 0.0 111.226 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -146.09 163.95 28.32 Favored Glycine 0 C--O 1.224 -0.484 0 O-C-N 120.896 -1.128 . . . . 0.0 112.707 169.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.469 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -64.77 -13.89 56.93 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 118.54 1.17 . . . . 0.0 113.125 176.113 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -141.33 173.55 11.39 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 127.173 2.189 . . . . 0.0 108.82 168.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.3 t -132.71 142.14 48.91 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 121.049 -1.032 . . . . 0.0 111.188 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.7 t -130.39 -96.13 0.37 Allowed 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.409 1.084 . . . . 0.0 111.015 171.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.47 153.96 31.12 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 126.434 1.894 . . . . 0.0 110.577 173.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.1 t -60.04 136.61 23.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-N 118.291 0.496 . . . . 0.0 110.733 169.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -77.73 130.72 72.66 Favored Pre-proline 0 CA--C 1.533 0.306 0 CA-C-O 118.89 -0.576 . . . . 0.0 109.527 178.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -70.69 -26.4 23.23 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 CA-C-N 120.384 1.173 . . . . 0.0 112.117 -169.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 58.4 m -71.93 -24.75 61.68 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.304 -0.872 . . . . 0.0 111.832 174.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.95 -48.15 82.54 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 120.857 -1.152 . . . . 0.0 111.267 172.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.0 mt -59.69 -46.9 92.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 123.601 0.761 . . . . 0.0 110.082 175.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.99 -37.46 79.71 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 12.7 mmt -75.78 -28.78 58.54 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.372 1.069 . . . . 0.0 112.19 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 84.9 mmm -76.05 -30.16 58.29 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 118.882 0.764 . . . . 0.0 111.809 169.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -68.12 -23.37 64.89 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 120.97 -1.081 . . . . 0.0 112.651 174.492 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -62.29 -29.32 70.35 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 119.785 1.175 . . . . 0.0 112.632 173.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.8 m -101.18 10.51 7.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 125.394 1.478 . . . . 0.0 112.442 176.053 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.71 22.39 77.18 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 125.092 1.33 . . . . 0.0 115.271 176.257 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 54.5 mt -108.91 142.3 21.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 125.348 1.459 . . . . 0.0 110.672 -175.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -109.59 122.14 46.78 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.651 1.18 . . . . 0.0 113.238 -178.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.6 pt -126.69 20.7 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.329 1.452 . . . . 0.0 112.204 169.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.2 t -72.7 -30.61 64.36 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 120.817 -1.177 . . . . 0.0 112.79 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.24 7.56 36.89 Favored Glycine 0 CA--C 1.538 1.522 0 C-N-CA 125.21 1.386 . . . . 0.0 115.564 177.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -133.93 148.6 51.21 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.083 1.753 . . . . 0.0 110.226 -179.066 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.0 t -142.15 -176.4 4.8 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 124.443 1.097 . . . . 0.0 109.387 177.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.8 m -56.23 137.06 52.65 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 124.191 0.997 . . . . 0.0 113.322 177.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -142.64 146.93 40.37 Favored Pre-proline 0 CA--C 1.552 1.024 0 C-N-CA 124.737 1.215 . . . . 0.0 112.743 169.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -87.55 146.65 7.19 Favored 'Trans proline' 0 CA--C 1.542 0.884 0 C-N-CA 123.614 2.876 . . . . 0.0 114.238 -172.506 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.7 tt -56.91 -35.63 47.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 126.714 2.006 . . . . 0.0 112.233 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -63.5 -22.05 66.67 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -177.227 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.24 -12.7 45.94 Favored 'General case' 0 CA--C 1.553 1.065 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 175.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -100.32 173.08 6.76 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.086 1.355 . . . . 0.0 113.468 -170.236 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -128.18 90.03 3.01 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.083 1.353 . . . . 0.0 112.819 -169.735 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.47 -32.15 57.17 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -179.023 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -56.85 -24.59 52.48 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.29 1.436 . . . . 0.0 114.133 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -101.23 5.75 42.68 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.565 1.146 . . . . 0.0 113.484 176.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -110.41 97.09 6.62 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.426 1.09 . . . . 0.0 108.834 174.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -53.0 -34.72 57.6 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 121.796 -0.565 . . . . 0.0 111.905 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 47.7 t -121.88 138.18 53.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 C-N-CA 124.593 1.157 . . . . 0.0 111.001 173.118 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 62.4 t -123.45 135.81 62.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 123.991 0.916 . . . . 0.0 110.06 170.027 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 22.5 mm -121.15 136.46 58.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 124.615 1.166 . . . . 0.0 108.923 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.7 t -103.0 139.81 38.08 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 123.953 0.901 . . . . 0.0 109.684 169.001 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.6 mp . . . . . 0 N--CA 1.468 0.445 0 C-N-CA 126.131 1.772 . . . . 0.0 109.886 178.718 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 59.4 t . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -140.22 1.87 1.84 Allowed 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 115.532 1.678 . . . . 0.0 115.532 175.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 49.2 mt 42.48 65.73 4.85 Favored Pre-proline 0 CA--C 1.556 1.212 0 C-N-CA 126.562 1.945 . . . . 0.0 115.116 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -50.35 -28.88 21.95 Favored 'Trans proline' 0 CA--C 1.554 1.521 0 C-N-CA 123.67 2.913 . . . . 0.0 119.127 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -76.58 -158.89 0.09 OUTLIER 'Trans proline' 0 CA--C 1.549 1.245 0 C-N-CA 122.647 2.232 . . . . 0.0 114.993 -176.509 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -52.05 -14.73 0.44 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 126.115 1.766 . . . . 0.0 115.122 172.328 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -59.28 -16.1 19.64 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 126.358 1.863 . . . . 0.0 115.053 174.003 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 32.9 m -120.66 3.56 6.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 124.602 1.161 . . . . 0.0 114.102 174.248 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 45.9 p -91.95 1.49 57.15 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.932 0.893 . . . . 0.0 113.331 177.196 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 76.5 mm-40 -76.53 176.83 7.94 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.096 1.358 . . . . 0.0 112.018 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -64.57 -37.96 89.37 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 121.479 -0.763 . . . . 0.0 112.808 -169.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 36.2 mt -137.06 134.26 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 124.259 1.024 . . . . 0.0 109.996 173.229 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -126.97 132.91 50.7 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.326 1.05 . . . . 0.0 109.956 168.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -135.82 155.04 50.95 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.479 1.112 . . . . 0.0 112.229 177.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -123.53 95.84 4.74 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.569 1.147 . . . . 0.0 110.676 176.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 44.1 m0 -89.41 83.24 6.38 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.74 1.616 . . . . 0.0 110.269 -177.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -70.75 115.87 10.41 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.862 -0.524 . . . . 0.0 111.177 -175.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 82.4 mt -142.09 149.54 40.01 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 126.473 1.909 . . . . 0.0 108.007 177.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -69.15 155.63 40.06 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.723 0.773 . . . . 0.0 112.076 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -85.27 114.89 58.82 Favored Pre-proline 0 CA--C 1.548 0.899 0 CA-C-O 118.696 -0.669 . . . . 0.0 110.793 178.205 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -71.95 -11.08 27.09 Favored 'Trans proline' 0 C--N 1.355 0.897 0 C-N-CA 122.933 2.422 . . . . 0.0 116.262 -171.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -50.77 112.15 0.66 Allowed 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.357 1.463 . . . . 0.0 112.166 178.086 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.98 14.59 78.67 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 124.162 0.887 . . . . 0.0 114.622 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -85.6 -95.74 0.07 Allowed 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 118.527 1.164 . . . . 0.0 110.962 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.2 m -164.87 159.6 18.51 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 127.074 2.15 . . . . 0.0 109.407 175.321 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 57.1 mt -62.51 -37.71 87.09 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 121.003 -1.061 . . . . 0.0 112.225 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -60.56 -29.88 69.44 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 121.298 -0.876 . . . . 0.0 112.926 173.452 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 82.4 t -74.94 -41.91 46.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 O-C-N 121.415 -0.803 . . . . 0.0 110.762 173.229 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -58.55 -45.62 88.54 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.311 0.96 . . . . 0.0 111.214 172.208 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 -64.41 -39.52 94.0 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.546 1.138 . . . . 0.0 112.259 177.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 40.6 m -63.3 -37.76 88.51 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.143 0.977 . . . . 0.0 111.868 175.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 55.5 t -73.3 -48.55 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 123.756 0.822 . . . . 0.0 110.91 174.563 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -50.01 -50.14 48.28 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 126.534 1.934 . . . . 0.0 112.563 178.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -62.6 -39.6 98.09 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 123.331 0.491 . . . . 0.0 113.318 -178.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -75.01 -40.93 60.32 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.849 -0.795 . . . . 0.0 111.833 178.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 91.1 t -57.63 -45.22 86.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 O-C-N 121.247 -0.908 . . . . 0.0 111.348 170.04 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -57.91 -54.65 44.55 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.133 0.973 . . . . 0.0 111.285 175.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -64.34 -37.49 87.68 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 118.541 -0.742 . . . . 0.0 112.211 -175.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 47.7 mtt180 -67.66 -37.46 82.42 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 117.87 -1.062 . . . . 0.0 111.926 175.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 19.2 t -61.31 -49.47 84.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 CA-C-N 119.916 1.235 . . . . 0.0 112.331 169.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -61.43 -36.01 79.18 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 120.425 1.466 . . . . 0.0 112.456 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -71.99 -30.18 64.98 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 177.004 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 50.8 tp -76.17 -51.71 11.59 Favored 'General case' 0 C--N 1.339 0.109 0 C-N-CA 123.874 0.87 . . . . 0.0 111.507 177.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 6.4 pt -61.09 -33.19 54.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-N 119.223 0.92 . . . . 0.0 111.877 -175.038 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.82 -21.7 66.84 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 175.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -84.64 -40.22 17.7 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.763 1.225 . . . . 0.0 113.092 174.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.0 pp -108.38 -0.77 9.83 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 N-CA-C 116.44 2.015 . . . . 0.0 116.44 -169.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 41.4 m . . . . . 0 C--O 1.256 1.4 0 C-N-CA 124.155 0.982 . . . . 0.0 112.915 175.426 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.463 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 55.3 ttm . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 111.554 0.205 . . . . 0.0 111.554 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -129.31 162.92 26.84 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 126.275 1.83 . . . . 0.0 110.331 169.591 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.432 ' HE2' ' O ' ' A' ' 72' ' ' ASP . 1.6 mppt? -107.0 140.4 39.87 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.402 1.081 . . . . 0.0 111.533 -175.708 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.2 t -120.84 141.44 41.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 124.315 1.046 . . . . 0.0 109.945 178.507 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.2 tpp -133.58 136.45 44.92 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 123.843 0.857 . . . . 0.0 110.092 177.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -108.47 136.92 47.28 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.538 1.135 . . . . 0.0 111.58 -175.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.3 t -118.44 133.65 64.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 126.533 1.933 . . . . 0.0 110.854 175.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 45.1 t -137.97 178.41 7.14 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 125.153 1.381 . . . . 0.0 111.643 174.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -53.08 -56.85 13.08 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 126.343 1.857 . . . . 0.0 113.698 -176.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -133.59 14.33 4.07 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 125.481 1.512 . . . . 0.0 114.52 -178.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.255 7.8 t-20 51.35 38.9 22.9 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 127.467 2.307 . . . . 0.0 114.686 -174.382 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.5 p -91.59 -43.23 9.77 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.235 1.414 . . . . 0.0 113.166 177.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.0 t -139.56 -175.71 4.29 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.922 1.689 . . . . 0.0 110.744 -175.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 57.56 -80.18 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 126.968 2.107 . . . . 0.0 112.949 -173.153 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.2 p -46.19 -46.17 17.27 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 127.271 2.229 . . . . 0.0 113.929 176.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -66.17 -36.7 83.79 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.61 1.164 . . . . 0.0 112.088 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 54.5 mtt -68.82 -35.55 77.11 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.81 0.844 . . . . 0.0 111.78 170.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.26 -40.56 96.23 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.552 0.741 . . . . 0.0 111.59 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -63.8 -39.76 95.02 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 119.091 -0.481 . . . . 0.0 111.267 169.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.38 -49.89 65.92 Favored Glycine 0 CA--C 1.528 0.877 0 C-N-CA 123.96 0.79 . . . . 0.0 114.071 174.382 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -70.78 -45.36 64.86 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 118.463 1.131 . . . . 0.0 112.127 176.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.97 -39.69 93.86 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -177.195 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -67.65 -25.32 65.66 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 119.494 1.043 . . . . 0.0 113.266 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.4 m -86.95 -54.24 4.45 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.448 1.499 . . . . 0.0 112.619 177.421 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 71.8 mt -83.9 -28.91 27.57 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.183 1.393 . . . . 0.0 112.354 -172.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -96.18 6.58 66.32 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 126.37 1.938 . . . . 0.0 114.476 176.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.58 113.44 0.89 Allowed 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 119.679 1.739 . . . . 0.0 112.365 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.72 -15.02 56.93 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.585 1.088 . . . . 0.0 114.341 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 1' ' ' MET . 9.0 mtpt -88.52 -38.19 15.14 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.984 1.313 . . . . 0.0 111.224 169.635 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 pp -141.4 174.1 7.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 124.313 1.045 . . . . 0.0 113.458 -174.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -132.48 144.96 50.82 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.378 1.471 . . . . 0.0 108.481 168.283 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -138.42 151.68 24.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 N-CA-C 114.911 1.449 . . . . 0.0 114.911 -169.32 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.6 m -138.96 149.25 44.53 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.788 1.635 . . . . 0.0 109.406 175.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.3 t -119.36 138.48 53.03 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.246 1.418 . . . . 0.0 111.929 174.179 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 13.8 p -152.15 -176.45 5.67 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.326 1.451 . . . . 0.0 112.551 177.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -151.49 172.42 30.97 Favored Glycine 0 N--CA 1.469 0.841 0 O-C-N 120.32 -1.487 . . . . 0.0 111.456 171.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.434 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -63.38 -13.5 40.2 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 119.623 1.712 . . . . 0.0 113.457 175.383 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -153.01 166.15 33.33 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 127.095 2.158 . . . . 0.0 109.866 169.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.8 p -107.67 152.71 23.95 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.087 1.355 . . . . 0.0 111.944 175.025 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.3 t -139.06 -82.7 0.28 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.141 1.376 . . . . 0.0 110.295 169.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.85 158.28 17.17 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 126.931 2.092 . . . . 0.0 110.068 169.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.6 t -60.42 136.7 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 CA-C-N 120.104 1.32 . . . . 0.0 108.603 169.331 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -67.9 124.58 89.83 Favored Pre-proline 0 N--CA 1.467 0.377 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 173.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -67.5 -26.23 40.59 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 CA-C-N 120.493 1.212 . . . . 0.0 112.117 -169.332 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 40.4 m -70.34 -27.96 64.76 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.692 0.797 . . . . 0.0 112.218 173.253 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.68 -43.46 98.81 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 120.295 -1.503 . . . . 0.0 111.842 175.252 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.6 mt -60.74 -43.38 95.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 123.518 0.727 . . . . 0.0 110.383 174.25 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.72 -36.85 84.34 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 177.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 23.3 mmt -74.91 -30.4 61.26 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.247 1.419 . . . . 0.0 112.312 178.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 79.0 mmm -75.52 -30.29 59.75 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 119.071 0.851 . . . . 0.0 111.659 169.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -69.46 -19.85 63.76 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.128 -0.983 . . . . 0.0 113.432 173.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -63.42 -30.67 71.76 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.863 1.21 . . . . 0.0 112.223 171.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 30.9 m -100.88 10.53 7.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 125.524 1.53 . . . . 0.0 112.625 177.263 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.44 18.57 77.06 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 124.7 1.143 . . . . 0.0 115.281 177.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 60.5 mt -99.51 117.22 44.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 124.602 1.161 . . . . 0.0 109.323 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -86.24 119.01 26.06 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 112.235 0.458 . . . . 0.0 112.235 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.3 pt -121.99 13.91 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 125.185 1.394 . . . . 0.0 112.248 169.103 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 87.8 p -63.38 -21.9 66.56 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 120.627 -1.296 . . . . 0.0 113.988 -174.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.9 1.53 86.24 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 125.022 1.296 . . . . 0.0 115.474 173.308 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -76.95 154.54 33.49 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 119.913 1.856 . . . . 0.0 112.035 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 31.8 p -133.03 161.41 34.44 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 127.726 2.411 . . . . 0.0 107.907 169.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.6 p -90.56 141.91 28.29 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.321 -0.862 . . . . 0.0 113.127 175.092 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -138.79 146.68 51.23 Favored Pre-proline 0 N--CA 1.48 1.047 0 C-N-CA 124.494 1.118 . . . . 0.0 113.785 -177.209 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -88.65 147.63 6.02 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 124.094 3.196 . . . . 0.0 113.543 -176.041 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 11.2 tt -58.63 -37.88 67.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 126.737 2.015 . . . . 0.0 112.088 -177.546 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -68.87 -11.2 60.29 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 -174.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.6 -13.86 36.25 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 171.43 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -101.15 173.98 6.21 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 114.306 1.224 . . . . 0.0 114.306 -169.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -116.8 86.33 2.48 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.775 2.03 . . . . 0.0 112.263 -171.084 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.36 -33.94 31.82 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 121.308 -0.87 . . . . 0.0 113.021 177.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -56.36 -29.12 60.98 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.861 1.664 . . . . 0.0 114.477 -178.021 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.432 ' O ' ' HE2' ' A' ' 3' ' ' LYS . 34.1 t70 -84.59 -28.15 26.75 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 176.577 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -82.93 92.55 7.34 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.033 0.933 . . . . 0.0 109.689 -173.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -47.08 -35.77 7.37 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.786 1.234 . . . . 0.0 111.8 177.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 46.4 t -126.08 136.46 60.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 C-N-CA 124.247 1.019 . . . . 0.0 111.27 173.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.2 t -120.03 138.31 51.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 123.852 0.861 . . . . 0.0 109.415 169.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 31.8 mm -124.45 127.56 73.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 124.605 1.162 . . . . 0.0 109.109 -178.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.0 t -96.64 140.97 30.46 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.194 0.521 . . . . 0.0 109.624 169.063 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 mp . . . . . 0 CA--C 1.534 0.334 0 C-N-CA 125.688 1.595 . . . . 0.0 108.528 178.67 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 32.0 t . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 109.362 -0.606 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -128.89 -5.83 5.05 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 -176.554 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 44.8 mt 44.22 65.17 6.26 Favored Pre-proline 0 CA--C 1.557 1.228 0 C-N-CA 126.025 1.73 . . . . 0.0 114.962 -177.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -51.43 -30.07 33.42 Favored 'Trans proline' 0 CA--C 1.554 1.477 0 C-N-CA 123.402 2.735 . . . . 0.0 119.043 178.132 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -77.49 -159.96 0.11 Allowed 'Trans proline' 0 CA--C 1.546 1.118 0 C-N-CA 122.526 2.151 . . . . 0.0 114.83 -175.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -56.55 -9.7 0.8 Allowed 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.793 1.637 . . . . 0.0 115.206 174.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -61.19 -15.39 33.58 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.652 1.581 . . . . 0.0 115.026 173.076 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 34.1 m -116.87 2.25 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 124.708 1.203 . . . . 0.0 113.678 174.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 40.0 p -95.41 3.53 54.24 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.471 1.109 . . . . 0.0 113.248 178.186 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -74.89 178.05 5.83 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.784 1.234 . . . . 0.0 112.016 177.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -65.28 -37.33 86.86 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.424 -0.798 . . . . 0.0 112.856 -169.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 26.1 mt -137.0 137.46 46.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 123.511 0.725 . . . . 0.0 110.329 170.03 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -128.15 131.81 48.94 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.662 1.185 . . . . 0.0 109.681 168.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -133.36 154.93 50.32 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.395 1.078 . . . . 0.0 111.78 176.258 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -125.15 106.25 9.76 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.776 1.23 . . . . 0.0 110.816 177.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 35.6 m0 -98.18 89.27 4.44 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.559 1.544 . . . . 0.0 110.042 -178.305 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -79.12 106.12 10.94 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.401 -0.812 . . . . 0.0 110.72 -177.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 52.9 mt -115.98 171.55 7.71 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.665 1.586 . . . . 0.0 111.885 -177.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 32.5 mp0 -61.26 167.28 3.25 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.323 1.849 . . . . 0.0 111.451 171.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -117.86 96.45 49.55 Favored Pre-proline 0 N--CA 1.476 0.854 0 C-N-CA 125.411 1.485 . . . . 0.0 109.966 -177.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -70.56 -14.85 33.93 Favored 'Trans proline' 0 C--N 1.355 0.902 0 C-N-CA 123.778 2.986 . . . . 0.0 118.02 -169.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -59.64 113.52 2.27 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.707 1.14 . . . . 0.0 112.095 -174.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 78.05 14.14 82.61 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 123.998 0.809 . . . . 0.0 114.335 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -89.85 -100.66 0.1 Allowed 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 118.148 0.974 . . . . 0.0 111.388 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 56.2 p -162.52 164.06 27.11 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 126.419 1.888 . . . . 0.0 110.013 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.442 HD22 ' H ' ' A' ' 109' ' ' LEU . 1.7 mm? -68.11 -28.29 67.2 Favored 'General case' 0 C--O 1.223 -0.308 0 C-N-CA 122.782 0.433 . . . . 0.0 111.465 -179.26 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -66.0 -37.42 85.9 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.567 0.747 . . . . 0.0 111.747 171.064 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 79.4 t -71.85 -37.58 62.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 O-C-N 121.079 -1.013 . . . . 0.0 111.472 174.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -60.77 -47.27 87.09 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.353 0.979 . . . . 0.0 111.422 169.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 58.6 mtp85 -60.55 -37.93 82.85 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.581 1.153 . . . . 0.0 112.029 176.17 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 51.3 m -61.82 -44.12 97.48 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.512 1.125 . . . . 0.0 111.719 174.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 46.6 t -67.75 -48.1 77.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 O-C-N 121.015 -1.053 . . . . 0.0 111.131 173.417 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 50.3 ttp180 -53.39 -47.37 69.57 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.336 1.455 . . . . 0.0 112.371 -178.123 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -62.39 -40.25 98.81 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 123.87 0.747 . . . . 0.0 113.022 179.241 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -69.67 -47.08 64.52 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.822 -0.81 . . . . 0.0 111.205 176.308 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 76.2 t -55.43 -46.09 78.48 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 CA-C-N 119.191 0.905 . . . . 0.0 111.397 173.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -56.94 -55.77 30.26 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.974 0.91 . . . . 0.0 111.111 177.209 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -39.29 94.02 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 118.392 -0.813 . . . . 0.0 111.481 -177.091 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -62.15 -43.53 98.63 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 119.188 0.904 . . . . 0.0 110.887 177.277 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 23.0 t -61.36 -49.96 82.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 CA-C-O 118.029 -0.986 . . . . 0.0 113.039 171.123 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -59.43 -36.39 75.8 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 120.707 1.594 . . . . 0.0 112.313 178.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -25.62 61.51 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 178.238 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 56.7 tp -80.66 -51.14 9.04 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.765 1.226 . . . . 0.0 112.032 175.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 9.0 pt -62.75 -27.96 43.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 CA-C-N 119.462 1.028 . . . . 0.0 112.204 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.74 -19.64 64.35 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 176.393 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -102.29 -32.77 9.88 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 115.34 1.607 . . . . 0.0 115.34 176.288 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.31 1.8 pp -101.34 5.13 10.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 N-CA-C 116.676 2.102 . . . . 0.0 116.676 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 60.3 p . . . . . 0 C--O 1.253 1.289 0 CA-C-N 119.617 1.099 . . . . 0.0 113.591 170.814 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.483 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 17.8 ttt . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 119.42 -0.324 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -129.82 167.65 17.78 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 125.198 1.399 . . . . 0.0 111.812 172.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -106.84 139.93 40.48 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.639 1.176 . . . . 0.0 111.282 -176.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.1 t -124.91 139.78 50.03 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 124.395 1.078 . . . . 0.0 109.796 178.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 5.3 tpp -132.98 136.19 45.92 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 123.88 0.872 . . . . 0.0 110.211 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -108.48 131.65 54.6 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.306 1.042 . . . . 0.0 111.211 -177.265 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.6 t -109.11 131.41 59.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 126.541 1.936 . . . . 0.0 109.935 172.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.6 t -128.35 166.84 17.89 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.352 1.461 . . . . 0.0 109.144 169.626 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -43.62 85.59 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.555 -1.341 . . . . 0.0 112.315 -173.369 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.274 0.2 OUTLIER -123.48 9.34 9.04 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 116.583 2.068 . . . . 0.0 116.583 174.618 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.261 8.0 t-20 49.46 32.27 4.6 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 127.877 2.471 . . . . 0.0 116.26 179.156 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.9 p -88.81 -37.37 15.45 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.044 1.337 . . . . 0.0 113.19 174.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.4 p -139.23 176.97 8.25 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.335 1.854 . . . . 0.0 111.155 -169.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.5 mtt85 55.86 -78.79 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 127.113 2.165 . . . . 0.0 113.79 -172.196 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 60.7 p -45.63 -45.41 13.87 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 127.415 2.286 . . . . 0.0 113.964 178.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 -65.85 -35.97 82.16 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.636 0.774 . . . . 0.0 112.098 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 6.7 mtp -75.47 -35.5 60.85 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.04 1.336 . . . . 0.0 111.11 174.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.77 -44.36 90.62 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.801 1.24 . . . . 0.0 111.561 174.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -59.76 -40.19 87.36 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 122.729 0.411 . . . . 0.0 111.349 169.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.48 -52.0 54.37 Favored Glycine 0 CA--C 1.531 1.032 0 C-N-CA 125.358 1.456 . . . . 0.0 114.735 176.162 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -65.09 -43.45 92.06 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 119.334 1.567 . . . . 0.0 110.325 176.058 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.27 -44.24 79.82 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -174.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -64.99 -24.96 67.67 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 119.556 1.071 . . . . 0.0 113.272 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.2 m -85.45 -57.29 3.13 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.574 1.55 . . . . 0.0 112.449 175.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 69.6 mt -83.15 -31.38 27.21 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.009 1.324 . . . . 0.0 112.355 -170.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -94.19 10.16 71.8 Favored Glycine 0 CA--C 1.529 0.911 0 C-N-CA 126.3 1.905 . . . . 0.0 114.304 175.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.13 112.89 0.8 Allowed 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 119.867 1.834 . . . . 0.0 112.838 -178.468 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.52 -18.4 14.97 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 125.181 1.372 . . . . 0.0 114.948 -176.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.483 ' O ' ' HA ' ' A' ' 1' ' ' MET . 29.5 mtpp -77.08 -38.47 52.4 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.183 1.393 . . . . 0.0 110.426 169.523 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.5 pp -144.5 170.21 8.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 125.103 1.361 . . . . 0.0 112.898 -178.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -124.45 143.41 50.65 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.058 1.343 . . . . 0.0 108.432 168.338 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.09 148.66 24.94 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 N-CA-C 115.227 1.565 . . . . 0.0 115.227 -169.529 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.5 m -139.53 150.64 45.34 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.34 1.456 . . . . 0.0 109.72 178.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.0 t -119.55 139.31 52.34 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.171 1.388 . . . . 0.0 112.014 175.059 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 14.8 p -153.43 -179.01 7.36 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.384 1.473 . . . . 0.0 112.657 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -154.62 167.05 32.49 Favored Glycine 0 C--O 1.223 -0.57 0 O-C-N 120.137 -1.602 . . . . 0.0 113.22 169.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.548 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -66.73 -16.59 64.35 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 118.034 0.917 . . . . 0.0 112.628 174.849 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -140.2 167.17 22.75 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.649 1.979 . . . . 0.0 109.51 169.107 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.9 p -115.3 153.41 31.0 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.483 1.513 . . . . 0.0 111.765 171.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.6 t -136.51 -90.37 0.27 Allowed 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.634 1.573 . . . . 0.0 109.969 174.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -158.35 151.17 22.44 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 127.893 2.477 . . . . 0.0 109.296 172.075 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.1 t -60.91 129.55 23.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 119.886 1.221 . . . . 0.0 108.73 169.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -70.47 125.54 92.03 Favored Pre-proline 0 CA--C 1.532 0.268 0 CA-C-O 118.961 -0.542 . . . . 0.0 110.166 -176.305 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -72.69 -25.12 17.64 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 CA-C-N 120.072 1.062 . . . . 0.0 112.246 -170.264 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 40.6 m -75.65 -28.04 58.61 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.418 -0.802 . . . . 0.0 111.651 176.133 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.29 -45.45 80.17 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 120.99 -1.069 . . . . 0.0 111.914 173.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.1 mt -58.85 -43.6 88.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 123.953 0.901 . . . . 0.0 110.67 176.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.21 -36.09 82.93 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.698 -0.626 . . . . 0.0 112.592 177.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 4.3 mmt -77.84 -30.42 51.01 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 125.014 1.325 . . . . 0.0 112.197 -179.346 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 87.1 mmm -74.44 -30.65 61.98 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.929 0.892 . . . . 0.0 111.12 169.389 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -70.86 -20.53 62.52 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.217 -0.927 . . . . 0.0 113.361 176.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -60.68 -31.86 71.1 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 120.254 1.388 . . . . 0.0 112.345 170.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.1 p -100.85 9.59 8.17 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 C-N-CA 126.428 1.891 . . . . 0.0 111.522 177.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.34 20.91 80.0 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 125.048 1.309 . . . . 0.0 115.155 173.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 77.5 mt -104.05 133.27 48.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 124.9 1.28 . . . . 0.0 110.265 -178.205 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -101.53 124.35 47.05 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.874 0.87 . . . . 0.0 111.697 178.196 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 32.5 pt -121.13 11.02 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 125.118 1.367 . . . . 0.0 112.947 170.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 98.6 p -69.07 -19.16 64.07 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 120.563 -1.336 . . . . 0.0 114.166 -175.084 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -76.62 -2.15 74.28 Favored Glycine 0 CA--C 1.54 1.633 0 C-N-CA 124.805 1.193 . . . . 0.0 114.744 171.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -97.6 159.2 15.07 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.222 1.409 . . . . 0.0 110.938 177.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.6 t -147.78 175.99 10.48 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 125.963 1.705 . . . . 0.0 108.563 170.159 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.7 p -88.09 130.74 34.92 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -173.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -138.05 143.5 39.8 Favored Pre-proline 0 CA--C 1.55 0.956 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 -173.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -83.86 144.22 10.88 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 123.582 2.855 . . . . 0.0 114.222 -171.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.9 tt -54.56 -33.6 27.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 127.487 2.315 . . . . 0.0 112.146 176.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -57.82 -27.3 63.04 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.429 1.492 . . . . 0.0 114.179 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.54 -13.18 35.11 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 179.524 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -97.07 171.16 8.65 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.899 1.28 . . . . 0.0 113.354 -170.056 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -124.53 86.68 2.6 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.2 1.4 . . . . 0.0 112.927 -169.742 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.53 -32.98 43.24 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -56.79 -25.36 55.31 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.163 1.385 . . . . 0.0 114.15 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -103.28 9.2 38.17 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.157 0.983 . . . . 0.0 113.608 177.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -110.39 97.74 7.12 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.204 1.002 . . . . 0.0 108.608 173.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -52.42 -35.25 51.53 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.469 0.707 . . . . 0.0 112.078 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 48.1 t -124.77 138.16 55.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 C-N-CA 124.719 1.208 . . . . 0.0 110.514 173.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 50.4 t -122.69 138.03 54.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 124.209 1.004 . . . . 0.0 109.893 171.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 24.3 mm -123.74 134.98 64.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 C-N-CA 124.532 1.133 . . . . 0.0 109.522 -178.063 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.9 t -104.16 138.96 39.89 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.494 0.718 . . . . 0.0 111.108 169.432 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.9 mp . . . . . 0 CA--C 1.538 0.493 0 C-N-CA 125.681 1.592 . . . . 0.0 109.481 -177.547 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 82.1 t . . . . . 0 N--CA 1.478 0.944 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -138.66 -0.24 1.96 Allowed 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 -178.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.0 mt 42.88 66.31 4.52 Favored Pre-proline 0 CA--C 1.554 1.117 0 C-N-CA 126.422 1.889 . . . . 0.0 115.081 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -50.39 -29.16 23.02 Favored 'Trans proline' 0 CA--C 1.554 1.507 0 C-N-CA 123.72 2.947 . . . . 0.0 119.168 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -76.51 -159.47 0.1 OUTLIER 'Trans proline' 0 CA--C 1.548 1.215 0 C-N-CA 122.778 2.319 . . . . 0.0 115.021 -176.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -52.91 -13.48 0.44 Allowed 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 126.22 1.808 . . . . 0.0 115.145 172.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -59.72 -16.08 24.57 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 126.208 1.803 . . . . 0.0 114.939 173.28 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 32.8 m -120.32 4.5 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 174.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 44.2 p -93.02 2.71 56.65 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.063 0.945 . . . . 0.0 113.258 176.143 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 -76.51 177.5 7.37 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.634 1.174 . . . . 0.0 111.921 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -64.69 -39.1 93.08 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 121.345 -0.847 . . . . 0.0 112.824 -169.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 26.5 mt -136.88 137.25 47.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 123.817 0.847 . . . . 0.0 110.243 172.338 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -126.49 134.61 50.87 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.501 1.12 . . . . 0.0 109.76 168.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -135.13 153.23 52.07 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.285 1.034 . . . . 0.0 111.493 175.099 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -122.36 119.17 30.28 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.565 0.746 . . . . 0.0 111.798 170.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 43.5 m0 -108.82 86.26 2.25 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.903 1.681 . . . . 0.0 109.858 -174.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -80.24 122.26 26.65 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.617 0.767 . . . . 0.0 110.673 -175.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 75.8 mt -143.42 172.63 12.51 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.66 1.584 . . . . 0.0 111.714 -175.088 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -56.53 168.52 0.56 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.355 1.462 . . . . 0.0 113.058 172.104 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -118.07 93.06 43.85 Favored Pre-proline 0 CA--C 1.542 0.658 0 C-N-CA 126.049 1.739 . . . . 0.0 110.522 -177.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -70.07 -14.54 35.24 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.464 2.776 . . . . 0.0 116.598 -169.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -58.94 99.77 0.06 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.809 1.644 . . . . 0.0 111.852 -175.152 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 86.21 14.92 65.58 Favored Glycine 0 CA--C 1.541 1.707 0 C-N-CA 124.408 1.004 . . . . 0.0 115.366 -176.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -88.91 -103.63 0.09 Allowed 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 118.787 1.293 . . . . 0.0 111.689 178.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 54.9 p -153.6 164.5 38.14 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 126.733 2.013 . . . . 0.0 110.189 177.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.8 mt -62.35 -37.65 86.49 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 122.0 -0.438 . . . . 0.0 112.169 177.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -65.91 -34.32 77.85 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.51 -0.744 . . . . 0.0 111.939 176.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 75.4 t -70.55 -35.8 63.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 O-C-N 120.963 -1.086 . . . . 0.0 111.431 172.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -61.34 -48.42 81.41 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.179 0.899 . . . . 0.0 111.108 170.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 45.4 mtp85 -59.57 -37.77 79.37 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.27 1.428 . . . . 0.0 112.393 177.014 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 53.5 m -63.69 -41.25 98.16 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.576 1.15 . . . . 0.0 112.036 176.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 75.7 t -72.46 -48.35 47.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 O-C-N 121.513 -0.742 . . . . 0.0 111.529 172.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 53.4 ttp180 -49.09 -51.34 32.25 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 126.511 1.924 . . . . 0.0 112.019 -178.522 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -61.43 -36.32 92.36 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 123.857 0.741 . . . . 0.0 113.859 -178.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -76.75 -47.15 22.62 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.615 -0.933 . . . . 0.0 111.432 177.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 39.0 t -57.07 -40.15 71.11 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 CA-C-N 119.322 0.964 . . . . 0.0 111.297 173.097 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 48.1 tttm -58.72 -55.82 30.19 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.545 1.138 . . . . 0.0 111.927 173.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -35.5 81.04 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 118.319 -0.848 . . . . 0.0 111.508 -177.493 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -61.11 -44.46 97.31 Favored 'General case' 0 C--N 1.34 0.185 0 CA-C-N 119.165 0.893 . . . . 0.0 110.81 175.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 39.2 t -61.29 -50.15 81.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-O 118.129 -0.939 . . . . 0.0 113.21 170.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -59.59 -34.2 72.44 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 120.836 1.653 . . . . 0.0 112.88 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.19 -26.46 60.29 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 176.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 55.5 tp -79.68 -48.76 13.15 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.405 1.082 . . . . 0.0 111.89 176.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 6.1 pt -64.03 -28.22 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 CA-C-N 119.578 1.081 . . . . 0.0 112.613 -176.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.14 -21.08 64.94 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 174.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -87.89 -44.46 11.04 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.214 1.406 . . . . 0.0 113.179 176.314 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.294 1.7 pp -105.75 4.05 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 N-CA-C 116.541 2.052 . . . . 0.0 116.541 -169.697 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--O 1.253 1.288 0 C-N-CA 124.023 0.929 . . . . 0.0 111.929 169.768 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.45 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 13.9 ttt . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 119.912 -0.089 . . . . 0.0 111.234 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -130.19 165.32 22.61 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 125.851 1.661 . . . . 0.0 111.239 170.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -105.64 140.95 37.92 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.95 1.3 . . . . 0.0 110.509 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.2 t -123.46 140.19 47.8 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 124.6 1.16 . . . . 0.0 109.751 177.274 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 4.2 tpp -133.35 135.58 44.83 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 123.763 0.825 . . . . 0.0 109.997 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -108.18 135.19 49.93 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 124.207 1.003 . . . . 0.0 111.504 -176.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.4 t -115.82 123.77 71.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 126.782 2.033 . . . . 0.0 109.495 173.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 48.0 t -122.15 165.25 16.42 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.57 1.148 . . . . 0.0 110.187 169.623 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -62.47 -40.4 96.54 Favored 'General case' 0 N--CA 1.484 1.255 0 O-C-N 120.675 -1.266 . . . . 0.0 113.308 -169.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.3 0.2 OUTLIER -127.22 12.16 7.06 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 116.135 1.902 . . . . 0.0 116.135 173.797 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 49.35 34.22 6.22 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 127.582 2.353 . . . . 0.0 116.001 -177.241 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.9 p -92.93 -38.75 11.52 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.776 1.23 . . . . 0.0 112.853 179.341 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.9 t -139.78 -177.0 4.77 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.793 1.637 . . . . 0.0 110.713 -176.358 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.5 mtm-85 57.31 -77.75 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 127.312 2.245 . . . . 0.0 114.077 -175.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 59.7 p -45.54 -44.95 13.12 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 126.373 1.869 . . . . 0.0 113.387 175.097 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -66.91 -38.33 86.03 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.391 1.476 . . . . 0.0 112.051 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 58.5 mtt -68.85 -36.22 77.88 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.276 1.03 . . . . 0.0 112.193 170.498 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.7 -41.06 98.18 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.447 0.699 . . . . 0.0 111.115 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -63.21 -39.67 95.28 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 122.867 0.467 . . . . 0.0 110.709 169.557 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.92 -45.89 85.31 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 124.935 1.255 . . . . 0.0 114.318 173.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -73.95 -46.58 43.19 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.121 1.461 . . . . 0.0 112.271 175.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.47 -34.93 79.42 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -176.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -63.34 -32.24 73.6 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 120.388 1.449 . . . . 0.0 113.118 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.0 m -90.21 -51.21 5.56 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 125.473 1.509 . . . . 0.0 112.334 179.496 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 68.9 mt -78.3 -23.89 46.92 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.12 0.968 . . . . 0.0 112.345 -175.271 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -104.72 10.29 48.9 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 126.915 2.198 . . . . 0.0 114.553 176.224 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.17 110.97 0.49 Allowed 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 119.78 1.79 . . . . 0.0 112.531 -177.495 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.99 -21.49 7.86 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.949 1.261 . . . . 0.0 114.435 -178.552 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 1' ' ' MET . 36.8 mtpt -73.61 -39.45 64.56 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.951 1.301 . . . . 0.0 110.928 169.654 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.5 pp -143.83 172.8 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 125.064 1.346 . . . . 0.0 112.808 -177.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.04 145.25 51.05 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.973 1.309 . . . . 0.0 108.922 168.189 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.13 149.55 24.69 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 N-CA-C 115.056 1.502 . . . . 0.0 115.056 -169.39 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.2 m -140.02 148.73 42.27 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.736 1.615 . . . . 0.0 109.924 178.003 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.8 t -119.32 139.35 52.08 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.254 1.422 . . . . 0.0 112.041 174.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 14.0 p -153.34 -177.5 6.37 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.635 1.574 . . . . 0.0 112.664 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -151.0 164.37 29.99 Favored Glycine 0 N--CA 1.467 0.72 0 O-C-N 120.48 -1.388 . . . . 0.0 112.13 170.106 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.56 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.7 OUTLIER -63.83 -15.28 58.43 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 118.725 1.263 . . . . 0.0 113.254 176.442 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -150.39 165.1 34.13 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 127.508 2.323 . . . . 0.0 108.366 168.581 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.7 t -121.81 150.0 42.52 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.193 0.997 . . . . 0.0 112.832 -170.022 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 87.8 p -137.39 -98.91 0.2 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.137 1.375 . . . . 0.0 111.772 173.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.68 152.13 26.72 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 127.892 2.477 . . . . 0.0 109.718 174.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.8 t -59.11 133.01 24.47 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 CA-C-N 119.737 1.153 . . . . 0.0 109.157 171.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -66.34 124.66 88.69 Favored Pre-proline 0 CA--C 1.531 0.243 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 174.282 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -67.63 -26.83 39.28 Favored 'Trans proline' 0 CA--C 1.539 0.764 0 CA-C-N 120.569 1.239 . . . . 0.0 111.884 -169.288 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 35.5 m -69.01 -28.81 66.93 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.458 -0.777 . . . . 0.0 112.168 173.055 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.46 -46.44 90.05 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 120.179 1.354 . . . . 0.0 111.462 174.084 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.1 mt -59.3 -45.95 92.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 123.787 0.835 . . . . 0.0 110.038 174.018 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.46 -35.52 77.86 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 178.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 10.7 mmt -75.62 -28.37 58.82 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.57 1.148 . . . . 0.0 112.089 178.296 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 81.9 mmm -74.49 -33.28 62.8 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.223 0.92 . . . . 0.0 111.372 169.524 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -65.63 -21.97 66.61 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 112.943 0.719 . . . . 0.0 112.943 175.616 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -64.02 -26.44 68.57 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 119.867 1.212 . . . . 0.0 112.609 170.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.0 t -86.94 -6.87 10.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.383 1.473 . . . . 0.0 111.338 175.309 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.38 16.18 77.27 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 124.382 0.992 . . . . 0.0 113.292 -169.524 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 54.2 mt -96.02 132.48 40.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 125.417 1.487 . . . . 0.0 109.515 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -100.11 123.04 43.88 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 -175.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.7 pt -130.25 13.89 2.24 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 C-N-CA 125.09 1.356 . . . . 0.0 113.612 169.644 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 52.5 p -63.82 -24.09 67.61 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 120.306 -1.496 . . . . 0.0 114.048 -172.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -78.92 0.59 77.77 Favored Glycine 0 CA--C 1.539 1.575 0 C-N-CA 125.098 1.332 . . . . 0.0 115.471 174.481 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -74.38 158.81 33.28 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 119.758 1.779 . . . . 0.0 111.693 176.073 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 26.5 p -144.75 163.23 34.65 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 128.998 2.919 . . . . 0.0 105.472 173.606 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.0 m -85.69 144.87 27.57 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 121.414 -0.804 . . . . 0.0 112.055 176.195 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -141.48 145.64 38.61 Favored Pre-proline 0 CA--C 1.552 1.023 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 177.356 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -86.69 149.05 8.58 Favored 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 124.026 3.151 . . . . 0.0 113.891 -175.329 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.1 tt -58.08 -35.45 52.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 126.563 1.945 . . . . 0.0 112.221 -178.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -63.92 -23.22 67.26 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 -175.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -85.14 -13.32 50.52 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 176.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -100.8 172.42 7.07 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.337 1.455 . . . . 0.0 113.693 -169.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -126.34 88.82 2.9 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.095 1.358 . . . . 0.0 113.169 -169.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.91 -32.24 52.8 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -57.05 -24.03 50.9 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.192 1.397 . . . . 0.0 113.941 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -107.79 12.01 27.7 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.148 0.979 . . . . 0.0 113.562 176.046 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -111.19 97.0 6.47 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 169.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -53.23 -34.03 55.39 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 122.909 0.483 . . . . 0.0 112.193 -177.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 44.7 t -122.54 137.73 55.07 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 C-N-CA 124.476 1.111 . . . . 0.0 110.693 171.57 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 45.6 t -120.84 138.56 50.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 123.988 0.915 . . . . 0.0 109.704 169.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 30.6 mm -125.1 130.36 73.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 124.583 1.153 . . . . 0.0 109.203 -177.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.7 t -99.01 144.47 28.12 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 123.686 0.795 . . . . 0.0 109.594 168.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 mp . . . . . 0 CA--C 1.535 0.383 0 C-N-CA 125.932 1.693 . . . . 0.0 108.82 -178.589 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 57.3 t . . . . . 0 N--CA 1.482 1.134 0 N-CA-C 110.725 -0.102 . . . . 0.0 110.725 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -133.01 -6.14 3.09 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 115.327 1.603 . . . . 0.0 115.327 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 45.0 mt 44.7 59.63 13.48 Favored Pre-proline 0 CA--C 1.556 1.178 0 C-N-CA 126.074 1.75 . . . . 0.0 115.242 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -58.1 -17.6 32.48 Favored 'Trans proline' 0 CA--C 1.558 1.717 0 N-CA-C 119.086 2.687 . . . . 0.0 119.086 -177.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo -76.73 -158.85 0.09 OUTLIER 'Trans proline' 0 CA--C 1.55 1.302 0 CA-C-N 123.887 2.424 . . . . 0.0 114.143 177.225 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -52.35 -13.3 0.33 Allowed 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 126.045 1.738 . . . . 0.0 115.366 171.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -61.96 -14.6 36.44 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.811 1.644 . . . . 0.0 114.889 175.225 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 34.2 m -120.75 4.88 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 174.475 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 51.0 p -94.69 4.42 53.85 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.167 0.987 . . . . 0.0 113.327 178.336 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 -78.59 -177.12 5.18 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.856 1.262 . . . . 0.0 112.339 -178.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -64.86 -40.95 95.95 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 121.033 -1.042 . . . . 0.0 112.163 -170.21 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 42.1 mt -138.08 140.37 40.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 124.746 1.219 . . . . 0.0 109.874 172.463 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -128.79 136.96 51.23 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.308 1.043 . . . . 0.0 109.768 168.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -136.11 155.83 49.61 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.838 1.255 . . . . 0.0 111.601 176.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -128.67 102.39 6.56 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.293 1.037 . . . . 0.0 110.885 175.115 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 37.2 m0 -89.57 89.46 7.84 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.627 1.571 . . . . 0.0 110.379 -177.246 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -80.41 90.9 5.64 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.79 0.836 . . . . 0.0 110.231 -176.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 60.5 mt -109.35 173.46 6.31 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.488 1.515 . . . . 0.0 111.897 -177.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 25.7 mp0 -63.56 166.48 6.71 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.718 1.607 . . . . 0.0 111.479 174.104 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -118.18 97.66 50.9 Favored Pre-proline 0 CA--C 1.545 0.751 0 C-N-CA 124.926 1.29 . . . . 0.0 111.147 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -72.44 -15.62 27.79 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 123.766 2.977 . . . . 0.0 116.346 -170.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -56.38 106.12 0.26 Allowed 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.121 1.368 . . . . 0.0 111.721 -177.489 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 82.64 13.67 77.61 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 124.31 0.957 . . . . 0.0 115.133 -177.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -90.62 -103.96 0.1 Allowed 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.56 1.144 . . . . 0.0 111.258 178.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.5 m -159.98 162.17 34.28 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 127.153 2.181 . . . . 0.0 109.839 177.178 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.3 mp -68.0 -29.62 68.68 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 120.872 -1.142 . . . . 0.0 112.142 -173.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.9 -29.94 70.54 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 120.711 -1.243 . . . . 0.0 112.951 170.198 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 99.3 t -77.47 -38.25 26.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.815 0.846 . . . . 0.0 110.883 174.244 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -60.03 -44.99 94.25 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.199 0.909 . . . . 0.0 111.343 169.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 74.1 mtt180 -63.38 -39.33 94.23 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.422 1.089 . . . . 0.0 111.879 177.048 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 47.8 m -61.4 -42.84 99.38 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.049 0.94 . . . . 0.0 111.711 174.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 55.7 t -69.04 -47.65 74.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 O-C-N 121.131 -0.981 . . . . 0.0 112.016 173.147 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 -51.53 -48.24 63.09 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.789 1.636 . . . . 0.0 112.141 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -61.25 -38.48 95.73 Favored Glycine 0 CA--C 1.533 1.209 0 C-N-CA 123.643 0.64 . . . . 0.0 113.224 178.557 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -72.83 -45.62 57.42 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 117.976 0.888 . . . . 0.0 111.701 177.195 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 58.8 t -56.57 -44.65 81.34 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 O-C-N 120.935 -1.103 . . . . 0.0 111.305 173.251 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 39.3 tttm -57.63 -53.65 55.77 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.189 0.996 . . . . 0.0 111.31 174.541 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -65.21 -36.83 85.39 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 118.695 -0.669 . . . . 0.0 112.25 -175.373 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 28.5 mmm180 -64.46 -43.3 94.65 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.461 1.028 . . . . 0.0 111.043 174.347 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 19.5 t -59.73 -50.98 78.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 CA-C-N 119.661 1.119 . . . . 0.0 113.211 171.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -59.51 -35.77 74.8 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 120.624 1.556 . . . . 0.0 112.738 178.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.72 -29.26 62.15 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 177.784 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 47.8 tp -75.73 -51.21 13.2 Favored 'General case' 0 C--O 1.227 -0.104 0 C-N-CA 123.905 0.882 . . . . 0.0 111.473 177.097 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.7 pt -61.46 -33.73 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-N 119.536 1.062 . . . . 0.0 111.894 -174.308 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.87 -21.0 66.72 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 175.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -85.68 -38.33 18.45 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.232 1.413 . . . . 0.0 113.372 175.097 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.0 pp -111.48 -0.93 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 N-CA-C 116.339 1.977 . . . . 0.0 116.339 -169.648 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 57.2 m . . . . . 0 C--O 1.254 1.29 0 C-N-CA 124.136 0.975 . . . . 0.0 112.584 174.279 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.46 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 15.4 ttt . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 119.878 -0.106 . . . . 0.0 111.225 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 53.6 mttp -128.74 166.69 18.5 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 126.002 1.721 . . . . 0.0 111.051 169.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.442 ' HE2' ' O ' ' A' ' 72' ' ' ASP . 1.6 mppt? -109.59 140.57 43.24 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.45 1.1 . . . . 0.0 111.435 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.3 t -122.75 141.43 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 124.166 0.986 . . . . 0.0 109.991 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 8.6 tpp -131.42 135.45 47.17 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.905 0.882 . . . . 0.0 110.518 177.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -111.64 115.48 29.19 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 125.008 1.323 . . . . 0.0 111.492 -177.028 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.509 HG21 HD12 ' A' ' 65' ' ' ILE . 2.5 t -95.3 130.88 43.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 126.273 1.829 . . . . 0.0 110.908 172.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.7 t -127.93 175.17 8.57 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.166 1.386 . . . . 0.0 109.14 169.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp -64.03 -54.39 34.94 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 120.716 -1.24 . . . . 0.0 111.868 -175.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.319 0.3 OUTLIER -116.83 7.66 13.4 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 116.85 2.167 . . . . 0.0 116.85 176.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 52.01 36.06 17.69 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 127.079 2.152 . . . . 0.0 114.279 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.6 p -95.14 -43.75 7.96 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.325 1.45 . . . . 0.0 112.28 178.144 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.5 t -132.48 -176.11 3.98 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.395 1.878 . . . . 0.0 110.51 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.0 mtt180 56.71 -80.01 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 127.103 2.161 . . . . 0.0 113.251 -171.189 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.9 p -51.65 -40.26 59.67 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 127.238 2.215 . . . . 0.0 114.175 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -69.27 -35.52 76.15 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.438 0.695 . . . . 0.0 111.78 178.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 48.1 mtt -69.59 -38.02 77.17 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.94 0.896 . . . . 0.0 111.615 171.186 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.45 -40.95 96.36 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.305 0.642 . . . . 0.0 111.692 177.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 62.8 tt0 -61.8 -41.91 98.34 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.843 0.857 . . . . 0.0 111.729 170.288 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.92 -46.94 93.24 Favored Glycine 0 CA--C 1.531 1.051 0 C-N-CA 124.036 0.827 . . . . 0.0 114.517 174.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -69.39 -47.69 63.43 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.083 1.441 . . . . 0.0 111.68 176.554 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.26 -37.48 85.59 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 118.4 -0.809 . . . . 0.0 113.041 -176.561 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -66.15 -28.39 68.75 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 120.267 1.394 . . . . 0.0 112.922 177.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.9 m -86.3 -52.41 5.64 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.172 1.389 . . . . 0.0 112.376 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 69.2 mt -83.94 -24.66 30.59 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.303 1.441 . . . . 0.0 112.259 -173.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -100.34 9.66 59.35 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 126.707 2.098 . . . . 0.0 114.558 174.235 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.99 112.17 0.63 Allowed 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 119.668 1.734 . . . . 0.0 112.736 -179.306 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.3 -21.56 8.36 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 125.116 1.341 . . . . 0.0 114.548 -178.503 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.46 ' O ' ' HA ' ' A' ' 1' ' ' MET . 31.2 mtpt -75.03 -39.18 61.2 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.983 1.313 . . . . 0.0 111.126 169.637 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.4 pp -144.44 172.62 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 125.316 1.447 . . . . 0.0 112.72 -176.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.06 144.59 51.11 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.901 1.281 . . . . 0.0 108.715 168.293 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.32 152.72 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 N-CA-C 115.094 1.516 . . . . 0.0 115.094 -169.406 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.1 m -146.44 153.15 40.12 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.154 1.781 . . . . 0.0 108.907 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 89.8 p -126.1 149.4 48.95 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.075 -1.016 . . . . 0.0 111.636 169.641 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 14.5 p -152.34 -174.54 4.93 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.802 1.241 . . . . 0.0 110.527 176.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -149.36 166.81 29.61 Favored Glycine 0 C--O 1.225 -0.453 0 O-C-N 120.334 -1.479 . . . . 0.0 113.249 169.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.567 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -65.79 -11.95 50.23 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 121.741 -0.858 . . . . 0.0 112.54 170.11 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -140.08 164.63 29.52 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 127.799 2.439 . . . . 0.0 108.179 169.385 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 62.7 p -132.61 140.84 48.4 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.214 1.006 . . . . 0.0 111.481 176.147 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 25.0 t -133.32 -96.33 0.3 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.562 0.745 . . . . 0.0 111.587 174.165 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.85 155.95 40.95 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.414 1.486 . . . . 0.0 110.597 171.217 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.4 t -59.1 132.51 24.16 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 CA-C-N 119.865 1.212 . . . . 0.0 108.685 170.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 53.4 t-80 -65.23 124.99 88.45 Favored Pre-proline 0 N--CA 1.464 0.229 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 177.318 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -70.96 -20.45 29.16 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 CA-C-N 120.329 1.153 . . . . 0.0 112.172 -169.074 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.4 m -72.24 -26.45 62.01 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 121.12 -0.987 . . . . 0.0 111.889 171.431 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.39 -38.35 89.3 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 120.567 -1.333 . . . . 0.0 111.985 174.439 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -56.44 -47.42 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 172.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.16 -38.44 90.56 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 121.176 0.512 . . . . 0.0 112.377 -178.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 12.1 mmt -72.74 -28.1 62.43 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 124.588 1.155 . . . . 0.0 112.719 178.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 84.3 mmm -77.97 -31.35 50.74 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 119.27 0.941 . . . . 0.0 111.265 169.633 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -67.53 -24.74 65.59 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 120.981 -1.074 . . . . 0.0 112.869 174.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -59.18 -31.33 68.91 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.838 1.199 . . . . 0.0 112.628 172.44 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.1 m -101.98 10.56 8.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.616 1.566 . . . . 0.0 112.693 177.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.51 23.04 78.52 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 124.795 1.188 . . . . 0.0 115.12 176.528 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 64.4 mt -110.08 141.33 25.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 125.672 1.589 . . . . 0.0 109.75 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -104.13 136.41 43.81 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.446 1.098 . . . . 0.0 112.317 178.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.7 pt -130.57 11.29 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 124.171 0.988 . . . . 0.0 111.664 169.004 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.7 m -66.08 -26.77 67.64 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.348 1.459 . . . . 0.0 113.412 -171.268 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.44 -0.71 89.5 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 125.009 1.29 . . . . 0.0 114.715 175.393 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -89.22 161.13 16.6 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 119.024 1.412 . . . . 0.0 110.743 176.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 25.7 p -145.76 163.64 34.35 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 128.58 2.752 . . . . 0.0 105.489 -179.302 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.9 m -83.26 138.37 33.61 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 121.471 -0.768 . . . . 0.0 111.997 178.177 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -136.43 148.24 63.21 Favored Pre-proline 0 N--CA 1.478 0.954 0 C-N-CA 124.095 0.958 . . . . 0.0 113.559 178.317 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -88.42 143.62 5.5 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 123.316 2.677 . . . . 0.0 113.207 -176.451 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.509 HD12 HG21 ' A' ' 7' ' ' VAL . 8.3 tt -57.17 -34.8 46.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 126.021 1.728 . . . . 0.0 111.993 176.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -58.99 -23.7 62.07 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.953 1.301 . . . . 0.0 114.404 -177.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.36 -15.18 33.92 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 178.78 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -99.37 174.59 6.21 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.47 1.108 . . . . 0.0 113.935 -169.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.9 100.75 8.89 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.309 1.844 . . . . 0.0 112.023 -175.131 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.73 -35.77 61.56 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.265 -0.897 . . . . 0.0 112.343 174.258 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -60.92 -31.15 70.68 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.599 1.56 . . . . 0.0 114.457 -172.147 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.442 ' O ' ' HE2' ' A' ' 3' ' ' LYS . 32.4 t70 -85.2 -29.53 24.62 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 179.369 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -79.26 92.28 5.1 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 121.439 -0.788 . . . . 0.0 109.396 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -48.0 -34.88 9.99 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.961 1.304 . . . . 0.0 112.144 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 52.7 t -124.93 137.85 56.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 C-N-CA 124.449 1.1 . . . . 0.0 110.692 172.292 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.1 t -122.87 136.1 60.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 123.8 0.84 . . . . 0.0 110.101 171.225 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 24.7 mm -121.5 128.52 75.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 124.655 1.182 . . . . 0.0 108.56 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.9 t -98.68 144.37 28.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 118.685 0.675 . . . . 0.0 109.414 168.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.3 mp . . . . . 0 C--N 1.33 -0.269 0 C-N-CA 125.874 1.67 . . . . 0.0 108.964 179.552 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 59.7 t . . . . . 0 N--CA 1.475 0.781 0 N-CA-C 111.251 0.093 . . . . 0.0 111.251 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -137.27 -2.76 2.0 Favored 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 115.949 1.833 . . . . 0.0 115.949 177.417 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.1 mt 42.43 64.98 5.49 Favored Pre-proline 0 CA--C 1.558 1.269 0 C-N-CA 126.103 1.761 . . . . 0.0 114.662 -173.385 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -51.58 -29.05 30.98 Favored 'Trans proline' 0 CA--C 1.554 1.504 0 C-N-CA 123.451 2.767 . . . . 0.0 119.036 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -75.87 -160.42 0.11 Allowed 'Trans proline' 0 CA--C 1.547 1.162 0 C-N-CA 122.694 2.263 . . . . 0.0 114.773 -176.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -61.43 -6.32 2.24 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 119.998 -1.689 . . . . 0.0 114.785 176.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -59.49 -16.85 27.0 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 120.159 -1.588 . . . . 0.0 114.783 171.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 34.9 m -113.8 0.58 8.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 124.774 1.23 . . . . 0.0 114.012 174.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 42.9 p -96.43 7.08 47.37 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.647 1.179 . . . . 0.0 113.229 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -75.98 -179.52 4.95 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.097 1.359 . . . . 0.0 111.832 177.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -62.92 -40.22 96.96 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 121.121 -0.987 . . . . 0.0 112.163 -170.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 39.3 mt -137.67 139.04 43.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 124.681 1.192 . . . . 0.0 109.873 170.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -128.75 136.04 50.03 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.21 1.004 . . . . 0.0 110.02 168.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -136.15 156.88 48.05 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.393 1.077 . . . . 0.0 111.928 177.214 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -127.4 103.4 7.35 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.593 1.157 . . . . 0.0 111.222 177.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 37.8 m0 -101.25 82.3 2.32 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.168 1.787 . . . . 0.0 111.001 -175.344 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -74.74 126.43 30.88 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 121.614 -0.679 . . . . 0.0 111.145 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 72.2 mt -141.51 172.35 12.81 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.301 1.84 . . . . 0.0 110.887 -176.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -59.56 170.21 1.11 Allowed 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.094 1.358 . . . . 0.0 113.358 173.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -113.49 93.97 29.78 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 126.142 1.777 . . . . 0.0 110.13 175.029 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -68.88 -15.87 40.76 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 123.387 2.725 . . . . 0.0 115.958 -173.303 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -54.88 108.21 0.37 Allowed 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.99 1.316 . . . . 0.0 111.925 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 80.47 13.48 81.61 Favored Glycine 0 CA--C 1.539 1.55 0 C-N-CA 124.242 0.925 . . . . 0.0 114.69 -178.605 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -91.24 -102.1 0.11 Allowed 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 118.587 1.193 . . . . 0.0 110.89 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 88.9 p -161.24 162.01 30.99 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 126.52 1.928 . . . . 0.0 110.496 -178.142 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 75.0 mt -64.69 -35.99 82.81 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.476 -0.765 . . . . 0.0 112.371 -178.299 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.27 -31.08 72.14 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 173.026 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 71.3 t -75.02 -39.29 44.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 O-C-N 120.853 -1.154 . . . . 0.0 111.569 172.332 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -58.82 -46.04 88.57 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.497 1.044 . . . . 0.0 111.334 169.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 58.7 mtp85 -61.57 -39.55 91.53 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.75 1.22 . . . . 0.0 112.117 176.539 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 46.3 m -61.26 -41.18 96.47 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.345 1.058 . . . . 0.0 112.261 175.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 53.6 t -70.46 -50.23 47.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 O-C-N 121.512 -0.743 . . . . 0.0 111.411 172.011 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -52.57 -47.31 66.92 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.74 1.616 . . . . 0.0 112.585 -176.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -62.01 -37.73 94.91 Favored Glycine 0 N--CA 1.474 1.185 0 C-N-CA 123.407 0.527 . . . . 0.0 113.24 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -76.14 -41.25 50.59 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.718 -0.872 . . . . 0.0 111.888 178.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 65.8 t -57.61 -46.09 86.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 O-C-N 121.257 -0.902 . . . . 0.0 111.342 170.195 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 38.0 tttm -57.04 -55.83 29.65 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.109 0.963 . . . . 0.0 111.28 175.289 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -63.94 -36.89 85.43 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 118.762 -0.637 . . . . 0.0 112.096 -174.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 38.6 mtt180 -68.33 -37.47 80.59 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 117.76 -1.114 . . . . 0.0 111.7 175.485 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 15.3 t -61.19 -50.44 80.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-N 120.013 1.279 . . . . 0.0 112.584 169.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -60.05 -35.73 75.76 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 120.658 1.572 . . . . 0.0 112.773 178.447 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.55 -30.62 64.59 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 177.261 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 48.0 tp -75.17 -51.3 13.74 Favored 'General case' 0 C--O 1.226 -0.157 0 C-N-CA 123.856 0.862 . . . . 0.0 111.521 177.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.9 pt -61.11 -33.91 58.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 CA-C-N 119.663 1.119 . . . . 0.0 111.985 -175.357 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.1 -21.73 66.65 Favored 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 175.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -85.62 -39.3 17.47 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.931 1.292 . . . . 0.0 113.167 175.387 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.0 pp -110.97 0.15 9.37 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 N-CA-C 116.551 2.056 . . . . 0.0 116.551 -169.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.9 m . . . . . 0 C--O 1.254 1.314 0 C-N-CA 124.017 0.927 . . . . 0.0 112.305 173.735 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.3 ttm . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 111.347 0.128 . . . . 0.0 111.347 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -128.79 164.79 22.26 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 126.35 1.86 . . . . 0.0 110.0 169.416 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.413 ' HE2' ' O ' ' A' ' 72' ' ' ASP . 1.5 mppt? -110.32 141.16 43.72 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.469 1.108 . . . . 0.0 111.5 -174.026 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.0 t -121.89 139.42 48.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.136 0.974 . . . . 0.0 109.914 177.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 5.4 tpp -129.88 132.1 46.3 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 124.026 0.93 . . . . 0.0 110.163 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -110.21 112.3 24.18 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.405 1.082 . . . . 0.0 111.718 -174.357 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.6 t -89.81 137.49 21.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 125.901 1.681 . . . . 0.0 111.136 170.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 36.8 t -132.52 176.58 8.31 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.032 1.733 . . . . 0.0 107.192 168.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.0 ttpp -63.89 -59.63 4.28 Favored 'General case' 0 N--CA 1.483 1.176 0 O-C-N 120.298 -1.501 . . . . 0.0 110.36 178.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.296 0.3 OUTLIER -114.05 3.04 15.15 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 117.316 2.339 . . . . 0.0 117.316 -178.052 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 53.32 31.78 12.45 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 126.585 1.954 . . . . 0.0 115.201 176.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.6 p -85.96 -36.09 20.04 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.444 1.498 . . . . 0.0 112.509 170.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.6 p -142.25 175.62 9.62 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.678 1.991 . . . . 0.0 111.242 -169.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 96.7 mtm-85 55.86 -76.36 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 127.272 2.229 . . . . 0.0 114.236 -173.15 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.4 p -50.23 -39.94 46.12 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 126.06 1.744 . . . . 0.0 113.892 177.185 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 43.0 mm-40 -67.67 -37.12 81.91 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.774 0.829 . . . . 0.0 112.293 176.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.5 mtt -69.44 -38.48 77.82 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.014 0.925 . . . . 0.0 111.897 171.117 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.31 -41.29 96.74 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 119.125 0.875 . . . . 0.0 111.424 178.403 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 73.2 tt0 -61.69 -41.77 98.03 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.338 0.655 . . . . 0.0 111.2 169.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.56 -44.95 97.3 Favored Glycine 0 N--CA 1.475 1.298 0 C-N-CA 124.659 1.123 . . . . 0.0 115.679 175.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -67.17 -47.53 70.68 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 121.12 -1.223 . . . . 0.0 110.747 174.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.7 -42.12 86.94 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.493 -0.755 . . . . 0.0 112.935 -177.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.6 ptmm? -62.83 -24.38 67.74 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 119.394 0.997 . . . . 0.0 113.387 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.0 m -91.24 -52.48 4.79 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.518 1.527 . . . . 0.0 112.478 176.505 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.3 mt -81.52 -28.87 33.79 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.431 1.093 . . . . 0.0 112.284 -170.222 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -101.52 14.46 57.87 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 126.601 2.048 . . . . 0.0 114.283 173.586 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.24 113.25 1.07 Allowed 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 118.653 1.227 . . . . 0.0 113.032 -173.126 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.34 -5.67 82.45 Favored Glycine 0 N--CA 1.474 1.167 0 C-N-CA 124.054 0.835 . . . . 0.0 114.762 175.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -105.83 -27.75 11.05 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.368 1.467 . . . . 0.0 112.745 169.482 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 pp -128.69 172.87 14.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 123.536 0.734 . . . . 0.0 112.62 170.054 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -132.69 143.42 49.62 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.613 1.165 . . . . 0.0 109.353 169.062 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -139.72 151.83 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 N-CA-C 115.158 1.54 . . . . 0.0 115.158 -169.366 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.9 m -145.18 153.05 40.94 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.925 1.69 . . . . 0.0 109.31 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 93.4 p -128.55 151.16 49.77 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 120.768 -1.208 . . . . 0.0 112.105 169.624 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 19.1 p -154.31 -177.91 6.77 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.943 1.297 . . . . 0.0 110.696 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -148.71 167.49 29.27 Favored Glycine 0 N--CA 1.464 0.508 0 O-C-N 120.336 -1.478 . . . . 0.0 112.818 169.658 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.472 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.3 OUTLIER -66.53 -11.33 52.27 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 118.369 1.084 . . . . 0.0 112.979 175.47 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -148.17 172.85 13.66 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 127.688 2.395 . . . . 0.0 108.679 168.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.2 p -125.94 138.11 53.75 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.405 1.082 . . . . 0.0 112.333 -177.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.0 t -117.38 -130.73 0.31 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.265 1.826 . . . . 0.0 109.2 173.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.412 ' H ' ' HD3' ' A' ' 41' ' ' ARG . 0.1 OUTLIER -118.67 146.72 44.47 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 127.826 2.45 . . . . 0.0 109.081 170.748 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.78 129.21 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 CA-C-N 119.193 0.906 . . . . 0.0 108.664 169.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -72.88 129.45 86.58 Favored Pre-proline 0 CA--C 1.536 0.413 0 O-C-N 121.747 -0.596 . . . . 0.0 110.831 -171.543 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.61 -27.77 18.19 Favored 'Trans proline' 0 CA--C 1.536 0.591 0 CA-C-N 120.163 1.094 . . . . 0.0 112.184 -170.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.3 m -74.09 -28.55 61.42 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.433 -0.792 . . . . 0.0 111.658 175.27 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.61 -46.11 84.49 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 120.852 -1.155 . . . . 0.0 112.251 172.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.4 mt -60.2 -46.52 94.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 123.795 0.838 . . . . 0.0 110.063 175.442 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.61 -39.61 88.81 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 178.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 12.5 mmt -75.16 -23.87 57.84 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.139 1.375 . . . . 0.0 112.382 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -78.24 -36.06 47.48 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.329 1.052 . . . . 0.0 110.308 169.231 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -68.47 -25.44 64.99 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.01 -1.056 . . . . 0.0 113.095 178.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -59.67 -29.14 67.86 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 119.535 1.061 . . . . 0.0 112.882 171.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.4 m -102.48 12.47 7.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 125.295 1.438 . . . . 0.0 112.618 175.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.88 19.83 79.61 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 125.15 1.357 . . . . 0.0 115.118 177.469 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 52.1 mt -100.99 139.64 21.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 125.454 1.501 . . . . 0.0 109.953 -178.527 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -114.45 120.41 40.18 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.267 1.027 . . . . 0.0 111.689 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 34.9 pt -119.71 11.83 6.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.42 1.488 . . . . 0.0 113.012 170.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 89.8 p -65.77 -20.08 66.13 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 120.622 -1.299 . . . . 0.0 114.276 -173.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -79.38 -2.51 87.72 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 124.689 1.138 . . . . 0.0 115.151 172.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -93.1 156.66 16.73 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 119.017 1.409 . . . . 0.0 110.778 178.389 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 34.6 p -143.87 164.83 29.43 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 127.754 2.422 . . . . 0.0 105.893 177.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.1 m -79.28 134.16 36.64 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.285 -0.885 . . . . 0.0 111.726 179.084 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -136.57 147.51 60.03 Favored Pre-proline 0 N--CA 1.482 1.151 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -179.309 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -86.95 145.39 7.56 Favored 'Trans proline' 0 CA--C 1.542 0.875 0 C-N-CA 123.543 2.829 . . . . 0.0 114.216 -173.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 8.5 tt -57.44 -34.48 46.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 126.792 2.037 . . . . 0.0 112.095 178.227 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -61.35 -23.15 65.55 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 -177.522 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.51 -12.52 39.77 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 177.509 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -98.63 170.61 8.67 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.883 1.273 . . . . 0.0 113.963 -169.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -120.54 87.69 2.8 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.25 1.42 . . . . 0.0 113.096 -169.615 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.37 -35.05 26.36 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -59.24 -26.96 65.33 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.148 1.379 . . . . 0.0 114.178 -176.328 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.413 ' O ' ' HE2' ' A' ' 3' ' ' LYS . 33.2 t70 -85.95 -28.12 24.48 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 176.497 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -81.35 93.94 6.67 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 121.524 -0.735 . . . . 0.0 109.434 -174.475 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -48.49 -34.43 11.16 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.417 1.087 . . . . 0.0 111.853 177.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 45.5 t -127.03 137.92 56.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 C-N-CA 124.217 1.007 . . . . 0.0 110.912 172.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 52.5 t -122.76 136.7 58.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 123.858 0.863 . . . . 0.0 110.068 170.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 28.4 mm -121.85 135.5 61.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 C-N-CA 124.518 1.127 . . . . 0.0 109.117 -179.538 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.5 t -102.34 140.31 36.79 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 124.041 0.937 . . . . 0.0 109.933 169.341 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.3 mp . . . . . 0 CA--C 1.537 0.473 0 C-N-CA 126.033 1.733 . . . . 0.0 109.007 -179.118 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 61.4 t . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -137.97 1.23 2.25 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 115.726 1.75 . . . . 0.0 115.726 178.101 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 51.5 mt 42.95 61.37 9.62 Favored Pre-proline 0 CA--C 1.556 1.194 0 C-N-CA 126.0 1.72 . . . . 0.0 114.508 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -58.48 -17.05 32.3 Favored 'Trans proline' 0 CA--C 1.555 1.571 0 N-CA-C 118.874 2.605 . . . . 0.0 118.874 -177.52 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_exo -75.88 -159.5 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 CA-C-N 123.86 2.414 . . . . 0.0 114.156 175.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -58.6 -11.65 3.26 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 120.143 -1.598 . . . . 0.0 115.225 176.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 79.8 m95 -57.11 -20.68 27.02 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.765 2.026 . . . . 0.0 115.671 177.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 17.6 m -109.01 -12.6 10.96 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 -178.365 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.0 t -97.66 16.99 18.89 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-O 122.356 1.074 . . . . 0.0 112.707 -179.261 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -72.69 176.21 5.73 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.267 1.027 . . . . 0.0 110.31 169.232 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -63.01 -36.57 83.98 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 120.799 -1.188 . . . . 0.0 112.975 -169.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 34.9 mt -136.96 138.01 46.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 124.186 0.994 . . . . 0.0 109.948 169.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -127.97 135.7 50.29 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.411 1.084 . . . . 0.0 109.982 168.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -136.0 156.61 48.48 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.534 1.134 . . . . 0.0 111.812 176.476 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -128.04 104.12 7.61 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.704 1.202 . . . . 0.0 111.032 176.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 34.7 m0 -96.38 86.06 4.09 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.746 1.618 . . . . 0.0 110.456 -177.021 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -76.5 114.46 15.25 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.599 -0.688 . . . . 0.0 110.345 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 79.2 mt -136.37 171.83 13.9 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 126.324 1.85 . . . . 0.0 111.507 -177.043 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 21.9 mp0 -59.66 167.77 1.93 Allowed 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.87 2.068 . . . . 0.0 112.55 175.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -118.6 92.32 43.71 Favored Pre-proline 0 CA--C 1.545 0.788 0 C-N-CA 125.265 1.426 . . . . 0.0 111.666 -177.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -71.57 -17.92 29.59 Favored 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 123.764 2.976 . . . . 0.0 116.463 -170.068 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -56.31 101.1 0.05 OUTLIER 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 126.056 1.742 . . . . 0.0 111.412 -177.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 86.62 14.09 66.22 Favored Glycine 0 CA--C 1.54 1.656 0 C-N-CA 124.443 1.02 . . . . 0.0 115.415 -177.38 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -90.84 -106.69 0.1 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.115 1.366 . . . . 0.0 111.003 177.053 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.6 t -155.57 167.56 29.97 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 126.144 1.778 . . . . 0.0 110.172 173.082 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.0 mp -66.98 -31.44 72.01 Favored 'General case' 0 C--O 1.222 -0.381 0 C-N-CA 124.309 1.043 . . . . 0.0 112.114 -174.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -61.87 -35.06 77.19 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.17 -0.956 . . . . 0.0 111.874 171.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 87.6 t -74.21 -37.53 46.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 123.52 0.728 . . . . 0.0 110.903 175.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -60.83 -49.09 78.9 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 119.092 0.86 . . . . 0.0 111.355 170.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -59.28 -39.35 82.64 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.524 1.13 . . . . 0.0 111.642 177.312 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 58.7 m -65.65 -38.93 90.74 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.419 0.687 . . . . 0.0 112.336 178.109 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 38.4 t -67.46 -46.67 82.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 O-C-N 121.284 -0.885 . . . . 0.0 111.36 169.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.62 -44.49 73.19 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.392 1.077 . . . . 0.0 112.496 -176.124 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -61.11 -37.72 94.4 Favored Glycine 0 CA--C 1.533 1.206 0 CA-C-N 118.044 0.383 . . . . 0.0 112.773 -179.59 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -79.11 -45.98 18.95 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.261 0.624 . . . . 0.0 111.481 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 48.2 t -55.97 -43.43 75.01 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 O-C-N 120.95 -1.094 . . . . 0.0 111.155 172.185 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 41.9 tttm -58.43 -54.33 48.28 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.557 1.143 . . . . 0.0 111.666 173.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -64.89 -36.63 84.98 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 118.88 0.764 . . . . 0.0 112.242 -174.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 28.9 mmm180 -64.09 -42.77 96.81 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 118.11 -0.948 . . . . 0.0 111.172 173.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 20.9 t -60.54 -51.16 76.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 CA-C-O 117.854 -1.07 . . . . 0.0 113.039 171.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -59.26 -35.58 73.97 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 120.745 1.611 . . . . 0.0 112.631 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.11 -27.3 61.62 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 177.612 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 47.0 tp -80.93 -49.02 11.51 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 124.257 1.023 . . . . 0.0 111.963 178.342 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 10.9 pt -64.1 -28.59 45.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 CA-C-N 119.1 0.864 . . . . 0.0 112.645 -175.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.0 -19.43 63.33 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 174.526 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -88.13 -44.24 11.06 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.974 1.31 . . . . 0.0 112.728 174.672 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.286 1.3 pp -100.36 -3.18 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 N-CA-C 116.822 2.156 . . . . 0.0 116.822 -169.65 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 66.7 p . . . . . 0 C--O 1.253 1.254 0 CA-C-N 120.192 1.36 . . . . 0.0 114.012 177.153 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.418 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 10.7 ttt . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 111.433 0.16 . . . . 0.0 111.433 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -130.52 164.94 23.76 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 125.76 1.624 . . . . 0.0 110.894 170.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -108.78 141.34 40.92 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.549 1.14 . . . . 0.0 112.054 -176.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.5 t -121.91 141.14 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 124.626 1.17 . . . . 0.0 109.75 179.282 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.7 tpp -131.28 134.36 46.32 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.69 0.796 . . . . 0.0 110.418 178.257 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -105.36 130.82 53.39 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 124.584 1.154 . . . . 0.0 111.098 -177.438 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.465 HG21 HD12 ' A' ' 65' ' ' ILE . 3.5 t -113.14 134.71 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 126.647 1.979 . . . . 0.0 109.483 172.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.3 t -135.28 171.03 15.02 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.717 1.207 . . . . 0.0 110.314 171.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.12 -26.89 64.17 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -172.018 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.62 4.29 1.73 Allowed 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 116.865 2.172 . . . . 0.0 116.865 170.791 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 53.62 33.0 15.48 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 126.389 1.875 . . . . 0.0 115.46 178.018 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.9 p -89.14 -41.77 12.07 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.935 1.294 . . . . 0.0 112.414 176.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.7 t -132.0 -156.93 0.78 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 126.976 2.11 . . . . 0.0 110.08 178.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 50.64 -89.95 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 127.335 2.254 . . . . 0.0 113.039 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.9 p -41.25 -43.76 2.47 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 126.815 2.046 . . . . 0.0 114.547 171.211 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -65.93 -35.66 81.21 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 121.132 -0.98 . . . . 0.0 112.645 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 43.8 mtt -70.39 -33.22 71.14 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.637 0.775 . . . . 0.0 111.819 172.003 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.83 -40.25 94.88 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.408 0.683 . . . . 0.0 112.018 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -62.65 -40.92 98.54 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.969 -0.457 . . . . 0.0 111.043 169.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.12 -48.8 80.73 Favored Glycine 0 N--CA 1.472 1.073 0 C-N-CA 124.191 0.901 . . . . 0.0 114.111 175.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -69.72 -45.32 68.47 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 118.623 1.211 . . . . 0.0 111.703 176.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.18 -41.81 94.24 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.551 -0.718 . . . . 0.0 112.643 -177.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -65.93 -25.22 67.03 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-N 119.769 1.168 . . . . 0.0 113.222 -179.294 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.5 m -89.85 -48.83 6.99 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.604 1.562 . . . . 0.0 112.347 179.215 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 69.7 mt -85.24 -30.83 23.52 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.676 1.19 . . . . 0.0 112.118 -173.269 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -100.14 15.28 59.31 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 126.72 2.105 . . . . 0.0 114.463 172.053 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -45.88 109.54 0.19 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.134 1.373 . . . . 0.0 113.754 -175.71 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.59 -18.4 15.2 Favored Glycine 0 CA--C 1.532 1.153 0 C-N-CA 124.822 1.201 . . . . 0.0 114.631 175.352 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 1' ' ' MET . 17.2 ptmt -85.8 -26.03 25.98 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 118.336 1.068 . . . . 0.0 112.63 169.614 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.3 pp -133.5 171.12 18.58 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 C-N-CA 123.941 0.896 . . . . 0.0 111.576 169.581 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -131.26 147.6 52.6 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.221 1.008 . . . . 0.0 109.505 168.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.64 151.31 20.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 N-CA-C 115.409 1.633 . . . . 0.0 115.409 -169.202 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.0 m -139.86 150.54 44.76 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.661 1.584 . . . . 0.0 110.061 177.099 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.6 t -122.29 139.69 53.51 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.816 1.646 . . . . 0.0 111.981 175.005 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 15.2 p -154.35 -177.79 6.69 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.735 1.614 . . . . 0.0 111.871 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -143.57 165.18 27.23 Favored Glycine 0 N--CA 1.468 0.775 0 O-C-N 120.261 -1.524 . . . . 0.0 112.193 169.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.551 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.6 OUTLIER -66.81 -10.39 47.25 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 118.386 1.093 . . . . 0.0 113.197 174.195 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -155.63 168.43 27.18 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 128.304 2.642 . . . . 0.0 108.664 169.322 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.2 t -118.36 146.8 44.11 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.255 1.022 . . . . 0.0 113.002 -171.253 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 35.1 t -126.83 -116.25 0.27 Allowed 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 126.651 1.98 . . . . 0.0 109.472 173.32 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.62 150.61 42.22 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 127.66 2.384 . . . . 0.0 109.482 172.366 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.2 t -58.42 132.24 23.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 CA-C-N 119.244 0.929 . . . . 0.0 109.823 170.655 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -78.96 124.59 84.77 Favored Pre-proline 0 N--CA 1.465 0.28 0 CA-C-O 119.075 -0.488 . . . . 0.0 110.552 -178.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -73.2 -21.4 20.29 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 121.062 1.174 . . . . 0.0 112.29 -170.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.8 m -74.49 -28.4 60.99 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 121.254 -0.904 . . . . 0.0 111.481 172.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.05 -42.69 95.01 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.841 1.2 . . . . 0.0 111.452 172.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -58.68 -45.39 90.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 123.582 0.753 . . . . 0.0 109.28 175.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.69 -43.43 98.83 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 178.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 11.6 mmt -70.17 -22.72 62.93 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.913 0.885 . . . . 0.0 112.481 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 78.8 mmm -82.42 -35.09 27.95 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.775 0.83 . . . . 0.0 111.858 169.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -64.8 -26.18 68.23 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 120.834 -1.166 . . . . 0.0 112.262 172.168 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -63.66 -17.83 63.34 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 172.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.4 m -114.98 13.34 8.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 125.754 1.622 . . . . 0.0 112.734 171.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.44 22.6 78.59 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 124.756 1.17 . . . . 0.0 115.2 176.376 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.3 mt -111.08 138.03 41.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 125.396 1.478 . . . . 0.0 109.656 179.533 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -99.64 134.72 42.12 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.394 1.078 . . . . 0.0 112.029 177.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.7 pt -130.65 14.52 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 C-N-CA 124.114 0.965 . . . . 0.0 111.943 169.298 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.0 m -69.9 -23.25 63.21 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.355 1.462 . . . . 0.0 113.893 -171.103 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -80.32 2.24 77.83 Favored Glycine 0 CA--C 1.539 1.57 0 C-N-CA 124.899 1.238 . . . . 0.0 114.717 175.089 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -99.2 158.79 15.45 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.332 1.453 . . . . 0.0 110.092 176.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.1 t -149.87 176.16 10.99 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 106.313 -1.736 . . . . 0.0 106.313 169.613 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.4 m -74.97 134.79 41.42 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.943 -177.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -139.4 145.28 43.47 Favored Pre-proline 0 CA--C 1.547 0.846 0 C-N-CA 124.689 1.195 . . . . 0.0 113.51 177.069 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -85.8 144.77 8.76 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 123.719 2.946 . . . . 0.0 113.684 -176.142 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.465 HD12 HG21 ' A' ' 7' ' ' VAL . 9.4 tt -56.61 -36.31 47.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 126.617 1.967 . . . . 0.0 111.771 177.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -60.88 -24.29 65.83 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -176.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -85.1 -15.1 45.05 Favored 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 177.767 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -100.74 177.3 5.03 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.777 1.231 . . . . 0.0 113.219 -171.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -117.6 97.54 5.92 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.97 1.708 . . . . 0.0 112.771 -171.361 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.453 ' HB2' ' CD2' ' A' ' 90' ' ' TRP . . . -57.62 -28.66 63.88 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 121.342 -0.849 . . . . 0.0 113.252 177.326 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -62.72 -36.22 82.27 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.962 1.705 . . . . 0.0 114.052 -176.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -87.05 -32.19 20.11 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -175.494 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -72.83 105.24 4.29 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 177.076 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -55.35 -31.45 61.74 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.815 0.846 . . . . 0.0 111.92 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 57.4 t -131.77 140.35 48.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 125.387 1.475 . . . . 0.0 110.202 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 51.1 t -126.81 139.32 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 123.99 0.916 . . . . 0.0 110.087 173.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 25.1 mm -126.81 133.28 68.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 124.352 1.061 . . . . 0.0 110.434 -174.241 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 45.0 t -99.54 136.5 39.38 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.819 0.848 . . . . 0.0 111.353 169.515 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.3 mp . . . . . 0 N--CA 1.469 0.484 0 C-N-CA 125.831 1.652 . . . . 0.0 109.872 176.078 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 60.3 t . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -140.06 5.42 2.12 Favored 'General case' 0 CA--C 1.551 0.981 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 178.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.429 HD13 ' HB3' ' A' ' 90' ' ' TRP . 66.4 mt 41.92 68.27 2.74 Favored Pre-proline 0 N--CA 1.482 1.168 0 C-N-CA 126.508 1.923 . . . . 0.0 114.843 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -51.53 -29.41 31.89 Favored 'Trans proline' 0 CA--C 1.556 1.602 0 C-N-CA 123.284 2.656 . . . . 0.0 118.937 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_exo -75.24 -159.49 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.102 0 C-N-CA 122.851 2.367 . . . . 0.0 115.595 -177.299 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -57.98 -3.72 0.26 Allowed 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.981 1.712 . . . . 0.0 115.165 171.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.453 ' CD2' ' HB2' ' A' ' 70' ' ' ALA . 98.4 m95 -76.02 8.06 3.53 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.063 1.745 . . . . 0.0 115.277 173.183 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 34.7 m -132.94 10.63 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 125.073 1.349 . . . . 0.0 113.411 169.516 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 62.1 p -99.74 10.73 40.84 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.831 1.252 . . . . 0.0 112.931 -179.58 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 21.7 mp0 -59.57 177.04 0.22 Allowed 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 129.246 3.018 . . . . 0.0 114.118 177.207 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -65.5 -43.13 91.08 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.235 169.638 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 36.4 mt -137.42 141.08 40.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 125.431 1.493 . . . . 0.0 109.852 173.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -130.8 132.54 45.31 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.368 1.067 . . . . 0.0 108.797 168.442 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -135.05 152.69 51.92 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.431 1.093 . . . . 0.0 111.323 178.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -132.31 66.09 1.56 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.101 0.96 . . . . 0.0 111.773 -175.475 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -71.02 99.69 1.86 Allowed 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.031 -1.043 . . . . 0.0 110.303 179.488 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -78.9 124.08 27.88 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.4 -0.812 . . . . 0.0 110.724 -173.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 96.1 mt -139.95 151.45 45.56 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.687 1.595 . . . . 0.0 108.702 -179.105 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -71.87 160.37 32.67 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 121.553 0.692 . . . . 0.0 112.0 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.419 ' HA ' ' HD3' ' A' ' 104' ' ' PRO . 9.8 t70 -93.85 115.88 65.71 Favored Pre-proline 0 CA--C 1.547 0.839 0 CA-C-O 118.62 -0.705 . . . . 0.0 111.749 -178.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 103' ' ' ASP . 52.6 Cg_exo -73.43 -9.1 22.66 Favored 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 123.268 2.645 . . . . 0.0 116.765 -174.109 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -57.71 110.49 0.9 Allowed 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 119.913 1.233 . . . . 0.0 111.86 -176.141 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.64 15.81 80.46 Favored Glycine 0 CA--C 1.539 1.554 0 CA-C-O 119.101 -0.833 . . . . 0.0 114.712 -179.24 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -85.65 -96.67 0.07 Allowed 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 118.374 1.087 . . . . 0.0 110.863 178.302 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 53.9 p -159.44 162.01 35.6 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 126.563 1.945 . . . . 0.0 109.344 172.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.9 mp -69.83 -24.78 63.5 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.51 -0.744 . . . . 0.0 111.313 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -66.29 -39.19 89.21 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 121.053 -1.03 . . . . 0.0 111.44 169.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.2 t -66.89 -40.71 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 O-C-N 121.222 -0.924 . . . . 0.0 110.958 172.274 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.403 ' CE1' ' HB2' ' A' ' 104' ' ' PRO . 12.2 m-85 -59.01 -49.04 79.43 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 119.817 1.19 . . . . 0.0 111.56 173.19 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 81.2 mtt-85 -60.14 -39.26 85.7 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.879 0.871 . . . . 0.0 111.792 177.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 98.5 m -64.2 -46.11 85.36 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.069 0.947 . . . . 0.0 111.457 177.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 57.3 t -68.74 -46.36 79.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 123.568 0.747 . . . . 0.0 110.984 177.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 49.4 ttp180 -52.52 -48.56 65.97 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.581 1.552 . . . . 0.0 112.113 176.103 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -58.92 -38.46 92.65 Favored Glycine 0 N--CA 1.472 1.043 0 C-N-CA 124.0 0.809 . . . . 0.0 113.071 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -74.57 -46.98 35.23 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 117.928 0.864 . . . . 0.0 112.412 173.493 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 99.6 t -52.82 -40.51 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 CA-C-N 120.218 1.372 . . . . 0.0 111.394 175.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 38.0 tttm -57.8 -57.6 12.03 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.884 0.874 . . . . 0.0 111.742 171.386 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -66.34 -35.12 79.56 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -173.307 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -64.66 -41.81 95.83 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.49 1.041 . . . . 0.0 110.398 175.359 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 11.8 t -62.65 -50.49 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 CA-C-O 117.592 -1.194 . . . . 0.0 113.114 170.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -57.45 -35.69 70.44 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 121.298 1.863 . . . . 0.0 113.019 178.064 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -25.31 59.68 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 112.997 0.739 . . . . 0.0 112.997 178.358 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 59.3 tp -82.82 -47.89 11.39 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.554 1.141 . . . . 0.0 111.851 177.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 11.8 pt -63.79 -29.27 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 CA-C-N 119.533 1.061 . . . . 0.0 112.699 -175.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.13 -21.83 64.91 Favored 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 174.487 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -86.18 -42.52 13.76 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.244 1.418 . . . . 0.0 112.871 175.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.293 1.4 pp -104.32 2.17 10.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 N-CA-C 116.45 2.019 . . . . 0.0 116.45 -170.261 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 32.3 t . . . . . 0 C--O 1.255 1.365 0 CA-C-N 119.344 0.975 . . . . 0.0 112.267 169.65 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.416 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 11.5 ttt . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 119.911 -0.09 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -130.77 164.29 25.44 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 125.87 1.668 . . . . 0.0 112.051 174.453 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -107.02 136.7 46.44 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.027 1.331 . . . . 0.0 110.963 -177.545 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.3 t -122.38 139.94 47.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 124.225 1.01 . . . . 0.0 109.923 177.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 8.2 tpp -131.22 133.95 45.97 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.024 0.93 . . . . 0.0 110.67 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -112.32 118.06 34.2 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.723 1.209 . . . . 0.0 112.169 -173.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.4 t -96.16 138.59 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 126.52 1.928 . . . . 0.0 111.515 174.522 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 48.9 t -137.29 178.32 7.19 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.866 1.667 . . . . 0.0 109.305 169.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -54.96 -60.74 2.95 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 120.009 1.277 . . . . 0.0 112.206 178.133 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -126.03 16.43 7.91 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 115.402 1.63 . . . . 0.0 115.402 -177.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 52.21 37.01 20.82 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 127.1 2.16 . . . . 0.0 113.739 -176.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.9 p -91.15 -49.49 6.36 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.904 1.681 . . . . 0.0 112.402 -179.149 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.6 t -131.77 179.18 6.22 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.968 1.707 . . . . 0.0 110.691 -178.225 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.1 mtt85 54.53 -73.08 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 128.089 2.556 . . . . 0.0 114.37 -171.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.7 p -51.61 -38.94 56.9 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 126.439 1.895 . . . . 0.0 113.77 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -71.39 -36.04 71.27 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.31 0.644 . . . . 0.0 111.67 177.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 45.4 mtt -68.43 -40.25 81.24 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.68 0.792 . . . . 0.0 111.08 171.612 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.41 -43.72 88.74 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.027 0.931 . . . . 0.0 111.631 177.199 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 -61.02 -40.45 93.63 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.5 0.72 . . . . 0.0 111.309 169.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.08 -51.02 59.91 Favored Glycine 0 N--CA 1.472 1.061 0 C-N-CA 125.75 1.643 . . . . 0.0 115.319 173.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -67.55 -46.33 73.07 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.751 1.776 . . . . 0.0 110.131 176.39 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.1 -41.72 90.24 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 113.21 0.818 . . . . 0.0 113.21 -173.525 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -62.01 -26.9 68.5 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-N 119.307 0.958 . . . . 0.0 113.005 178.04 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.6 m -90.35 -52.38 4.95 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.954 1.701 . . . . 0.0 112.699 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 76.6 mt -85.11 -29.4 24.87 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.181 1.392 . . . . 0.0 112.327 -171.263 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -98.81 11.85 62.6 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 126.172 1.844 . . . . 0.0 114.452 173.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.5 111.42 0.49 Allowed 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 119.234 1.517 . . . . 0.0 113.392 -173.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.15 -18.28 23.45 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 124.715 1.15 . . . . 0.0 115.036 176.264 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 1' ' ' MET . 16.8 ptmt -88.74 -26.06 21.97 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.299 1.04 . . . . 0.0 112.706 169.62 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 pp -133.98 170.82 19.02 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 123.968 0.907 . . . . 0.0 111.987 169.576 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.5 145.18 51.19 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.141 0.976 . . . . 0.0 109.599 168.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -140.37 151.03 21.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 N-CA-C 115.174 1.546 . . . . 0.0 115.174 -169.378 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.9 m -145.75 151.09 37.41 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.902 1.681 . . . . 0.0 109.139 178.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 89.0 p -124.33 150.26 45.67 Favored 'General case' 0 N--CA 1.468 0.425 0 O-C-N 120.944 -1.098 . . . . 0.0 111.839 169.43 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 15.8 p -153.91 -176.17 5.72 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.446 1.498 . . . . 0.0 110.664 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -153.56 168.54 32.17 Favored Glycine 0 C--O 1.223 -0.562 0 O-C-N 120.323 -1.486 . . . . 0.0 112.759 171.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.499 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -66.29 -12.87 59.05 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 118.634 1.217 . . . . 0.0 112.932 174.716 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -138.44 176.64 8.52 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 127.766 2.427 . . . . 0.0 109.55 169.382 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.8 p -136.38 144.89 44.8 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.147 1.379 . . . . 0.0 111.31 171.104 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 40.5 m -137.4 -75.66 0.41 Allowed 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.156 0.583 . . . . 0.0 112.481 170.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.15 161.79 22.45 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 126.841 2.057 . . . . 0.0 109.843 169.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.8 t -62.42 137.52 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 CA-C-N 119.498 1.045 . . . . 0.0 108.512 169.289 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -66.24 124.55 88.29 Favored Pre-proline 0 N--CA 1.466 0.371 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 174.343 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.43 -24.96 30.62 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 CA-C-N 120.298 1.142 . . . . 0.0 112.205 -169.288 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.1 m -71.95 -29.35 64.18 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.441 -0.787 . . . . 0.0 111.932 173.095 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.59 -44.49 93.34 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 120.625 -1.297 . . . . 0.0 111.523 174.539 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.1 mt -59.0 -43.82 89.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.847 0.859 . . . . 0.0 110.81 174.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.85 -37.12 86.19 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 177.663 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 14.4 mmt -74.46 -29.17 61.35 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.988 1.315 . . . . 0.0 112.768 178.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 85.1 mmm -75.78 -31.97 59.71 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.696 0.68 . . . . 0.0 111.514 169.475 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -68.61 -23.36 64.44 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.361 -0.837 . . . . 0.0 113.224 174.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -60.48 -32.34 71.33 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.851 1.205 . . . . 0.0 112.705 171.386 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.1 m -98.44 10.63 6.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 125.033 1.333 . . . . 0.0 112.526 176.407 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.9 19.34 78.18 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 124.83 1.205 . . . . 0.0 114.759 176.379 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 63.7 mt -101.87 129.61 52.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 124.734 1.214 . . . . 0.0 110.18 -179.036 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -97.14 118.74 34.24 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -177.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 9.4 pt -122.23 14.26 5.74 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 C-N-CA 125.049 1.34 . . . . 0.0 111.893 169.089 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.2 m -65.25 -30.83 71.74 Favored 'General case' 0 N--CA 1.48 1.057 0 O-C-N 120.74 -1.225 . . . . 0.0 113.063 -172.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -83.31 3.09 85.89 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 124.803 1.192 . . . . 0.0 114.95 176.297 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -86.61 158.8 19.41 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.348 1.574 . . . . 0.0 110.896 176.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 23.7 p -140.94 161.36 38.0 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 127.917 2.487 . . . . 0.0 107.682 -178.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 65.3 p -87.53 137.63 32.18 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.515 -0.74 . . . . 0.0 112.731 178.538 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -137.72 146.67 53.94 Favored Pre-proline 0 N--CA 1.478 0.963 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 -178.207 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -87.65 146.0 6.93 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 123.623 2.882 . . . . 0.0 113.912 -172.318 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.7 tt -55.87 -35.34 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 127.508 2.323 . . . . 0.0 112.153 178.503 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -60.39 -23.96 64.75 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.641 1.177 . . . . 0.0 113.947 -178.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.06 -14.25 34.21 Favored 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 178.396 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -96.14 171.83 8.36 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.637 1.175 . . . . 0.0 113.501 -169.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -121.26 86.65 2.61 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.461 1.505 . . . . 0.0 112.452 -169.581 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.88 -34.27 27.49 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -178.081 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -58.99 -26.38 64.46 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.337 1.455 . . . . 0.0 114.184 -178.266 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -93.41 0.99 57.03 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 178.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -106.62 103.21 12.61 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.188 -0.945 . . . . 0.0 108.815 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -51.71 -38.57 55.74 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.48 0.712 . . . . 0.0 111.186 175.35 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 38.5 t -126.81 136.58 60.38 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 C-N-CA 124.102 0.961 . . . . 0.0 110.422 177.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 48.7 t -121.44 137.76 54.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 123.781 0.833 . . . . 0.0 109.697 170.4 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 30.3 mm -123.42 137.49 56.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 124.554 1.142 . . . . 0.0 109.748 -177.324 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.0 t -105.28 135.84 45.9 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.415 0.686 . . . . 0.0 110.758 169.071 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.2 mp . . . . . 0 N--CA 1.472 0.63 0 C-N-CA 125.356 1.463 . . . . 0.0 109.896 -178.09 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 30.9 t . . . . . 0 N--CA 1.476 0.843 0 N-CA-C 111.506 0.188 . . . . 0.0 111.506 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -134.98 -6.07 2.38 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 115.707 1.743 . . . . 0.0 115.707 -177.576 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.5 mt 44.24 65.8 5.6 Favored Pre-proline 0 CA--C 1.555 1.142 0 C-N-CA 126.341 1.856 . . . . 0.0 114.806 -179.531 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -51.17 -28.64 26.3 Favored 'Trans proline' 0 CA--C 1.555 1.539 0 N-CA-C 119.196 2.729 . . . . 0.0 119.196 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -76.12 -160.83 0.12 Allowed 'Trans proline' 0 CA--C 1.549 1.247 0 C-N-CA 122.713 2.275 . . . . 0.0 114.655 -177.448 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -58.07 -8.81 1.15 Allowed 'General case' 0 N--CA 1.478 0.97 0 O-C-N 120.073 -1.642 . . . . 0.0 115.009 175.671 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 89.3 m95 -58.67 -16.77 17.78 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.797 1.639 . . . . 0.0 114.714 171.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.6 m -117.77 1.95 7.69 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 174.052 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 37.4 p -94.14 2.1 56.01 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.142 0.977 . . . . 0.0 113.054 176.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 -71.8 175.16 5.98 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.284 1.034 . . . . 0.0 112.055 174.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -63.81 -36.66 84.62 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 113.083 0.771 . . . . 0.0 113.083 -169.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 44.5 mt -137.23 137.82 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.019 0.927 . . . . 0.0 110.504 170.245 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -128.17 133.31 48.89 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.346 1.058 . . . . 0.0 109.515 168.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -135.57 150.55 49.74 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.473 1.109 . . . . 0.0 111.181 174.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -120.3 112.58 19.21 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 122.049 0.928 . . . . 0.0 111.616 173.613 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.468 ' CE2' ' HB3' ' A' ' 122' ' ' ARG . 37.3 m0 -100.25 78.32 2.04 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 126.087 1.755 . . . . 0.0 109.894 -174.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -73.87 118.94 17.41 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.028 0.531 . . . . 0.0 110.333 -178.103 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 81.0 mt -135.26 171.18 14.8 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.486 1.914 . . . . 0.0 110.095 177.499 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -68.43 177.61 2.31 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.622 0.769 . . . . 0.0 112.516 176.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -117.92 98.25 51.41 Favored Pre-proline 0 CA--C 1.548 0.882 0 C-N-CA 124.623 1.169 . . . . 0.0 112.403 -169.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -70.41 -15.09 34.61 Favored 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 123.79 2.993 . . . . 0.0 117.265 -169.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -57.57 113.46 1.81 Allowed 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 119.571 1.078 . . . . 0.0 112.236 -176.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.33 15.02 81.79 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 123.861 0.743 . . . . 0.0 114.036 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -88.37 -105.73 0.08 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.33 1.052 . . . . 0.0 110.742 177.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 67.0 m -154.35 156.54 37.08 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.939 2.096 . . . . 0.0 109.365 -176.337 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 67.5 mt -62.36 -34.63 77.04 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.377 -0.827 . . . . 0.0 112.249 178.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -58.44 -37.37 75.28 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.573 0.749 . . . . 0.0 112.211 172.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 56.7 t -74.08 -38.57 49.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 O-C-N 122.047 -0.408 . . . . 0.0 110.515 178.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -60.19 -46.89 88.18 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 118.21 0.459 . . . . 0.0 111.299 170.421 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 59.3 mtp85 -60.28 -39.54 87.25 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.967 1.307 . . . . 0.0 112.162 176.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 56.0 m -64.33 -38.66 91.83 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.575 1.15 . . . . 0.0 112.093 176.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 53.6 t -72.92 -50.16 34.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 O-C-N 121.685 -0.635 . . . . 0.0 111.209 172.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -46.6 -52.09 14.3 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 126.645 1.978 . . . . 0.0 112.096 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -59.73 -42.29 97.9 Favored Glycine 0 N--CA 1.473 1.13 0 C-N-CA 123.796 0.712 . . . . 0.0 113.725 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -72.82 -36.62 67.54 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.226 -1.161 . . . . 0.0 112.032 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 41.1 t -66.37 -41.8 89.46 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 O-C-N 121.023 -1.048 . . . . 0.0 110.787 172.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -56.73 -46.78 81.12 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.34 1.056 . . . . 0.0 110.924 171.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -56.67 -52.79 63.56 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.083 0.553 . . . . 0.0 111.835 174.205 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.468 ' HB3' ' CE2' ' A' ' 99' ' ' TRP . 24.5 mmm180 -60.88 -36.44 79.19 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 118.302 -0.856 . . . . 0.0 111.376 -176.392 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 52.3 t -65.71 -54.7 24.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-O 117.621 -1.181 . . . . 0.0 113.962 169.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -58.71 -36.18 73.85 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 121.062 1.755 . . . . 0.0 112.056 -178.351 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -77.32 -26.78 52.49 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 179.336 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 56.2 tp -73.91 -51.5 15.94 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 124.367 1.067 . . . . 0.0 112.876 170.372 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 11.2 pt -62.24 -29.62 47.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 CA-C-N 119.54 1.064 . . . . 0.0 111.958 -174.359 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.96 -23.08 66.53 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 176.109 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -96.44 -32.89 12.1 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 114.973 1.471 . . . . 0.0 114.973 175.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.275 1.8 pp -101.1 -5.93 9.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 N-CA-C 117.14 2.274 . . . . 0.0 117.14 -177.767 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 48.3 m . . . . . 0 C--O 1.254 1.323 0 CA-C-N 120.504 1.502 . . . . 0.0 113.012 177.544 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.462 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 15.6 ttt . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 119.624 -0.227 . . . . 0.0 111.436 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 42.7 mttm -130.33 163.91 25.79 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 125.451 1.5 . . . . 0.0 112.355 174.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -104.99 137.12 43.22 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.606 1.162 . . . . 0.0 111.216 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.5 t -124.21 138.84 52.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 124.571 1.148 . . . . 0.0 109.721 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 5.4 tpp -131.76 133.43 44.76 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.708 0.803 . . . . 0.0 110.035 -177.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -104.48 140.86 37.34 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.609 0.764 . . . . 0.0 111.763 -176.673 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.3 t -122.12 127.64 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 126.68 1.992 . . . . 0.0 110.28 174.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 40.4 t -126.76 172.08 10.65 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.906 1.683 . . . . 0.0 108.8 169.491 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.1 ttpp -61.27 -52.42 64.81 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 119.245 0.93 . . . . 0.0 111.744 -175.493 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.337 0.2 OUTLIER -120.91 9.46 10.64 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 117.312 2.338 . . . . 0.0 117.312 175.879 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 54.23 27.81 8.34 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 116.012 1.856 . . . . 0.0 116.012 178.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.4 p -87.4 -38.5 16.11 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.507 1.523 . . . . 0.0 111.946 174.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.5 t -139.95 -176.67 4.67 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.779 1.632 . . . . 0.0 110.693 -176.406 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 77.5 mtm180 57.71 -80.34 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 126.892 2.077 . . . . 0.0 113.178 -174.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 56.8 p -45.72 -42.97 12.42 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 127.251 2.22 . . . . 0.0 114.453 176.595 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -71.38 -36.48 71.43 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 121.777 -0.577 . . . . 0.0 111.086 -178.469 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 54.8 mtm -73.66 -30.63 63.03 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 121.149 -0.969 . . . . 0.0 112.002 173.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.8 97.96 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.959 0.904 . . . . 0.0 111.563 171.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -62.81 -41.17 99.19 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 119.134 -0.46 . . . . 0.0 111.532 170.08 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.65 -47.91 68.35 Favored Glycine 0 N--CA 1.474 1.181 0 C-N-CA 125.007 1.289 . . . . 0.0 114.513 174.043 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -70.86 -44.72 65.8 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 118.801 1.301 . . . . 0.0 112.116 175.59 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.73 -38.84 90.26 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -177.617 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -67.84 -25.56 65.61 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 119.755 1.161 . . . . 0.0 113.155 178.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.3 m -86.07 -55.98 3.68 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.381 1.472 . . . . 0.0 112.757 175.561 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 71.4 mt -82.63 -22.43 34.71 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.342 1.457 . . . . 0.0 112.655 -172.455 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -102.1 8.76 55.94 Favored Glycine 0 CA--C 1.53 0.996 0 C-N-CA 126.609 2.052 . . . . 0.0 114.324 174.215 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.34 112.84 0.75 Allowed 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 119.728 1.764 . . . . 0.0 112.561 -179.103 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.21 -22.23 8.82 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 124.776 1.179 . . . . 0.0 114.34 -178.534 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 1' ' ' MET . 34.8 mtpt -75.7 -39.03 58.1 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.98 1.312 . . . . 0.0 111.019 169.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.4 pp -142.68 171.31 10.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 125.178 1.391 . . . . 0.0 112.326 -176.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -126.09 142.15 51.64 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.869 1.268 . . . . 0.0 108.633 168.395 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.08 148.39 27.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 N-CA-C 114.749 1.389 . . . . 0.0 114.749 -169.62 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.6 m -137.95 146.15 42.87 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.281 1.433 . . . . 0.0 109.963 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.2 t -115.13 136.37 53.19 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.745 1.218 . . . . 0.0 112.247 176.044 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 12.0 p -150.53 -177.94 6.26 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.471 1.108 . . . . 0.0 112.75 177.075 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -155.11 166.06 32.44 Favored Glycine 0 N--CA 1.465 0.602 0 O-C-N 120.401 -1.437 . . . . 0.0 112.388 171.418 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.54 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -67.57 -12.19 59.81 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 118.341 1.07 . . . . 0.0 113.256 174.083 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -136.91 166.75 22.9 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 127.876 2.47 . . . . 0.0 107.808 169.155 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.0 p -135.8 118.06 15.6 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.211 -0.93 . . . . 0.0 112.81 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.3 t -141.74 146.25 35.78 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 126.168 1.787 . . . . 0.0 110.107 169.639 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -31.43 140.93 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 129.472 3.109 . . . . 0.0 115.669 -174.581 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.6 t -54.86 130.58 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 172.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -65.42 123.79 85.35 Favored Pre-proline 0 C--O 1.234 0.256 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 178.157 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.76 -22.52 31.98 Favored 'Trans proline' 0 CA--C 1.54 0.797 0 CA-C-N 120.212 1.111 . . . . 0.0 112.014 -168.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 55.9 m -68.04 -27.71 66.76 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.065 -1.022 . . . . 0.0 111.842 171.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.62 98.99 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 120.431 -1.418 . . . . 0.0 111.83 173.072 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mp -56.21 -49.16 77.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 171.636 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.68 -36.44 82.9 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 -177.401 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 10.3 mmt -76.27 -29.65 57.52 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 123.938 0.895 . . . . 0.0 111.703 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 84.6 mmm -74.51 -30.59 61.86 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.163 0.892 . . . . 0.0 111.789 169.577 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -66.94 -25.28 66.27 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.739 -1.226 . . . . 0.0 112.905 174.662 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -62.61 -28.15 69.69 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 119.876 1.216 . . . . 0.0 112.835 174.051 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.0 m -102.13 10.28 8.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 125.632 1.573 . . . . 0.0 112.524 176.456 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.66 23.03 78.63 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.991 1.281 . . . . 0.0 115.424 176.583 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 71.1 mt -109.16 142.19 22.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 125.389 1.476 . . . . 0.0 110.055 -178.196 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -111.42 121.5 45.36 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.012 0.925 . . . . 0.0 112.892 -176.022 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.5 pt -126.28 23.32 3.16 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 C-N-CA 125.182 1.393 . . . . 0.0 111.885 169.067 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 95.9 p -78.16 -24.76 47.16 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 120.786 -1.196 . . . . 0.0 113.416 179.124 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -85.65 13.09 57.4 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 125.376 1.465 . . . . 0.0 115.281 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -127.62 163.38 24.35 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.221 1.511 . . . . 0.0 112.113 -178.189 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 37.1 p -137.27 170.39 16.16 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 127.375 2.27 . . . . 0.0 108.174 -169.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.1 p -85.14 147.18 26.75 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 177.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -143.38 145.44 32.02 Favored Pre-proline 0 CA--C 1.55 0.972 0 C-N-CA 124.024 0.929 . . . . 0.0 113.232 177.415 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -86.6 146.99 8.4 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 123.406 2.737 . . . . 0.0 113.446 -173.683 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.7 tt -54.88 -34.21 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 127.061 2.145 . . . . 0.0 111.849 177.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -59.25 -26.57 65.02 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.495 1.518 . . . . 0.0 114.081 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.51 -13.09 38.19 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 179.239 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -98.25 170.58 8.78 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.894 1.278 . . . . 0.0 113.519 -169.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -122.56 85.36 2.4 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.323 1.449 . . . . 0.0 112.188 -169.828 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.79 -35.09 42.74 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -178.462 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -55.87 -26.53 47.45 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.049 1.74 . . . . 0.0 114.488 -178.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -83.79 -31.6 25.81 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 175.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -79.33 108.45 12.86 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.566 0.746 . . . . 0.0 109.288 -172.542 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -51.2 -36.46 41.57 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.678 0.791 . . . . 0.0 111.291 174.507 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 38.6 t -133.56 138.5 50.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 C-N-CA 124.227 1.011 . . . . 0.0 111.235 -178.233 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 52.0 t -123.76 137.2 57.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.225 1.01 . . . . 0.0 110.518 173.313 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 29.7 mm -129.46 111.1 21.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 124.365 1.066 . . . . 0.0 110.942 -171.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.7 t -84.7 145.74 27.79 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.666 -0.646 . . . . 0.0 109.329 168.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.9 mp . . . . . 0 CA--C 1.541 0.632 0 C-N-CA 124.465 1.106 . . . . 0.0 111.003 169.972 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 81.1 t . . . . . 0 N--CA 1.477 0.918 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -142.45 156.8 45.21 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.739 2.416 . . . . 0.0 107.518 169.033 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 79.0 mt -118.59 67.83 7.64 Favored Pre-proline 0 N--CA 1.476 0.833 0 C-N-CA 124.675 1.19 . . . . 0.0 111.487 -176.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -59.37 -16.63 35.97 Favored 'Trans proline' 0 CA--C 1.556 1.597 0 N-CA-C 118.809 2.58 . . . . 0.0 118.809 -174.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -74.39 -159.46 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 CA-C-N 123.603 2.322 . . . . 0.0 114.4 175.639 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -53.06 -14.56 0.63 Allowed 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.772 1.629 . . . . 0.0 115.159 172.175 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -59.51 -17.03 28.5 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.08 1.752 . . . . 0.0 115.198 173.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 34.0 m -119.86 2.57 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 174.328 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 43.0 p -90.37 1.11 56.92 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.893 0.877 . . . . 0.0 112.988 176.193 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 70.6 mm-40 -74.36 176.07 7.08 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.184 0.994 . . . . 0.0 112.196 178.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -65.68 -37.49 86.64 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.67 -0.644 . . . . 0.0 112.706 -169.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 46.7 mt -136.67 136.13 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 123.96 0.904 . . . . 0.0 109.973 169.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -124.35 135.12 53.08 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.251 1.021 . . . . 0.0 109.623 169.088 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -129.33 156.48 43.96 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.096 0.958 . . . . 0.0 112.022 175.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -137.26 80.59 1.82 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.809 1.244 . . . . 0.0 109.668 178.357 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 29.2 m95 -82.68 79.84 8.96 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.74 0.781 . . . . 0.0 110.263 -178.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -64.52 127.7 32.62 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.31 0.644 . . . . 0.0 111.187 -176.251 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 76.6 mt -140.44 166.01 25.88 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 126.154 1.782 . . . . 0.0 110.15 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -71.77 167.14 20.56 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.121 0.968 . . . . 0.0 111.935 173.025 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -105.47 111.51 64.87 Favored Pre-proline 0 CA--C 1.547 0.857 0 C-N-CA 124.257 1.023 . . . . 0.0 111.795 -177.641 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -72.72 -11.76 26.17 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 123.131 2.554 . . . . 0.0 117.213 -172.313 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -56.85 115.13 2.4 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 119.414 1.006 . . . . 0.0 112.324 -178.195 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.0 13.99 80.57 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 123.982 0.801 . . . . 0.0 114.467 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -88.12 -96.49 0.09 Allowed 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 118.237 1.018 . . . . 0.0 110.833 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 64.7 p -161.08 164.19 30.94 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 126.343 1.857 . . . . 0.0 110.069 175.11 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 67.8 mt -63.35 -36.21 82.95 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 121.579 -0.701 . . . . 0.0 111.637 174.517 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -59.18 -38.74 80.54 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.788 -0.57 . . . . 0.0 112.12 172.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 68.6 t -71.09 -38.25 70.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 O-C-N 121.105 -0.997 . . . . 0.0 111.695 174.193 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -60.22 -46.83 88.41 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.701 1.137 . . . . 0.0 111.381 171.481 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -62.18 -38.79 90.44 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.46 1.104 . . . . 0.0 111.831 177.13 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 51.8 m -62.52 -38.81 91.39 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.512 1.125 . . . . 0.0 111.897 175.433 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 41.3 t -73.09 -48.35 44.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 O-C-N 121.441 -0.787 . . . . 0.0 111.155 173.008 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -51.97 -48.84 64.18 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 126.093 1.757 . . . . 0.0 112.273 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -62.56 -37.38 94.63 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 123.486 0.565 . . . . 0.0 113.422 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -74.71 -46.32 38.4 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.895 -0.767 . . . . 0.0 111.331 176.202 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 93.7 t -54.16 -42.3 55.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 O-C-N 121.098 -1.001 . . . . 0.0 111.64 173.112 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -59.17 -56.26 24.45 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.249 1.02 . . . . 0.0 111.528 173.483 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -63.97 -37.72 88.43 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 118.464 0.574 . . . . 0.0 112.099 -174.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -63.69 -42.37 98.0 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 118.895 0.77 . . . . 0.0 110.252 178.17 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 7.5 t -63.54 -48.17 88.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-O 117.823 -1.084 . . . . 0.0 113.134 171.653 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -60.39 -36.26 77.68 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 121.026 1.739 . . . . 0.0 112.366 178.547 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.34 -23.98 60.3 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 179.083 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 50.4 tp -84.89 -51.02 7.03 Favored 'General case' 0 C--O 1.225 -0.192 0 C-N-CA 125.089 1.356 . . . . 0.0 111.286 178.281 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.2 pt -61.1 -33.39 55.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 CA-C-N 119.26 0.937 . . . . 0.0 111.388 -176.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.56 -19.79 65.85 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 178.427 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -98.78 -33.5 10.88 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 174.258 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.255 2.0 pp -98.68 -1.82 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 N-CA-C 116.016 1.858 . . . . 0.0 116.016 -179.208 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 40.2 m . . . . . 0 C--O 1.256 1.419 0 CA-C-N 119.743 1.156 . . . . 0.0 112.538 174.274 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.0 ttm . . . . . 0 N--CA 1.493 1.68 0 N-CA-C 111.419 0.155 . . . . 0.0 111.419 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -128.53 163.65 24.51 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 126.131 1.772 . . . . 0.0 110.03 169.391 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.4 ' HB2' ' HE2' ' A' ' 3' ' ' LYS . 1.6 mppt? -108.93 141.4 41.06 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.223 1.009 . . . . 0.0 111.734 -174.432 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.7 t -120.71 137.79 53.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 123.993 0.917 . . . . 0.0 110.458 175.332 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 5.1 tpp -124.87 131.13 53.47 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 124.203 1.001 . . . . 0.0 110.439 176.476 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -105.79 124.58 49.8 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 125.003 1.321 . . . . 0.0 110.695 -176.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.432 HG21 HD12 ' A' ' 65' ' ' ILE . 2.4 t -104.88 131.42 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 125.86 1.664 . . . . 0.0 110.415 174.089 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 39.7 t -130.81 169.82 15.21 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.246 1.019 . . . . 0.0 109.326 169.428 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -62.79 -46.43 88.05 Favored 'General case' 0 N--CA 1.485 1.281 0 O-C-N 120.973 -1.079 . . . . 0.0 113.402 -169.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.317 0.1 OUTLIER -124.41 19.09 8.91 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 174.256 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 47.54 43.48 16.07 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 127.751 2.42 . . . . 0.0 115.45 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.2 p -98.14 -48.32 5.15 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 -169.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 14.5 p -134.28 -67.78 0.57 Allowed 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 -169.679 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 71.6 mtm180 -56.42 -47.62 78.67 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 124.432 1.093 . . . . 0.0 113.705 -169.461 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.9 p -69.86 -33.22 71.96 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.231 1.012 . . . . 0.0 112.584 176.211 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -70.74 -37.9 73.48 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 121.685 -0.634 . . . . 0.0 111.098 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 32.6 mtt -64.62 -37.02 86.14 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.152 0.981 . . . . 0.0 112.194 169.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.68 -44.72 85.36 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.875 -0.515 . . . . 0.0 111.229 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -60.87 -43.29 98.6 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 119.124 -0.465 . . . . 0.0 110.917 169.727 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.65 -44.97 69.11 Favored Glycine 0 N--CA 1.471 1.007 0 C-N-CA 124.598 1.094 . . . . 0.0 115.026 176.493 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -79.5 -42.85 24.3 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 118.775 1.287 . . . . 0.0 111.373 178.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.66 -39.77 94.27 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 119.259 0.936 . . . . 0.0 112.583 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -66.36 -23.85 66.41 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-N 119.328 0.967 . . . . 0.0 113.349 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.2 m -90.06 -50.53 5.96 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.73 1.612 . . . . 0.0 112.441 177.173 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 74.1 mt -84.03 -29.34 26.99 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.756 1.222 . . . . 0.0 112.348 -171.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -98.8 12.74 62.62 Favored Glycine 0 CA--C 1.532 1.094 0 C-N-CA 126.514 2.007 . . . . 0.0 114.303 173.048 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.74 113.57 1.03 Allowed 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.294 1.038 . . . . 0.0 113.15 -174.273 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.09 -7.78 76.48 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.207 0.908 . . . . 0.0 114.561 175.282 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -103.94 -28.58 11.48 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.225 1.41 . . . . 0.0 112.864 169.483 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -128.2 173.67 12.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 123.636 0.774 . . . . 0.0 112.906 170.424 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.74 141.95 47.74 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.52 1.128 . . . . 0.0 109.148 169.207 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.6 m -140.11 151.79 21.72 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 -169.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.1 m -141.29 149.33 41.12 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.079 1.351 . . . . 0.0 110.431 -177.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.2 t -116.83 137.9 51.88 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.912 1.685 . . . . 0.0 111.475 173.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 14.0 p -150.7 -177.73 6.16 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.308 1.443 . . . . 0.0 112.498 174.047 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -152.22 163.84 30.33 Favored Glycine 0 N--CA 1.466 0.649 0 O-C-N 119.897 -1.752 . . . . 0.0 113.266 171.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.574 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -64.75 -16.51 63.08 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 121.823 -0.81 . . . . 0.0 112.687 172.253 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -140.4 167.59 21.8 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 127.126 2.17 . . . . 0.0 107.819 168.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.3 m -152.76 138.64 18.04 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 120.968 -1.083 . . . . 0.0 112.198 -177.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.1 t -134.6 -74.29 0.47 Allowed 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 176.07 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.47 156.41 35.22 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.892 1.277 . . . . 0.0 111.996 171.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.0 t -60.49 132.08 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 169.633 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -65.9 124.0 86.44 Favored Pre-proline 0 CA--C 1.531 0.216 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 176.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -69.51 -24.94 30.28 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 CA-C-N 120.257 1.127 . . . . 0.0 111.861 -169.078 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.0 m -70.48 -28.38 64.94 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.35 -0.844 . . . . 0.0 111.943 172.643 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.54 -45.61 93.24 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 119.839 1.2 . . . . 0.0 111.51 173.041 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.1 mt -58.62 -45.97 90.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 123.479 0.711 . . . . 0.0 110.228 174.336 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.9 -38.02 86.78 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 178.551 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 21.5 mmt -73.55 -27.15 61.18 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 125.054 1.342 . . . . 0.0 112.57 178.591 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 83.6 mmm -78.02 -31.82 50.73 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.884 0.765 . . . . 0.0 111.281 169.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -67.1 -24.82 65.98 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.115 -0.99 . . . . 0.0 112.98 174.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -60.22 -31.56 70.28 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.714 1.143 . . . . 0.0 112.616 172.64 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 31.8 m -99.51 10.32 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 125.134 1.374 . . . . 0.0 112.62 177.163 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.2 20.74 79.28 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 124.845 1.212 . . . . 0.0 114.929 177.017 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 64.4 mt -105.19 140.08 24.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 125.27 1.428 . . . . 0.0 109.714 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -109.56 125.8 52.91 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.356 0.662 . . . . 0.0 112.169 179.55 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.1 pt -121.1 13.11 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 125.179 1.391 . . . . 0.0 112.542 169.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.4 m -63.35 -26.8 68.92 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 120.423 -1.423 . . . . 0.0 113.457 -175.203 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -78.9 0.42 78.38 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 124.917 1.246 . . . . 0.0 114.932 175.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -88.47 166.15 14.41 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.415 1.607 . . . . 0.0 110.78 175.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.7 p -146.5 157.63 43.77 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 128.582 2.753 . . . . 0.0 105.455 -174.158 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 49.1 m -80.07 129.33 34.41 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 119.48 -0.888 . . . . 0.0 109.709 169.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -137.4 136.92 21.1 Favored Pre-proline 0 CA--C 1.544 0.727 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -178.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -80.5 143.86 15.55 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.837 2.358 . . . . 0.0 113.541 -170.25 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.432 HD12 HG21 ' A' ' 7' ' ' VAL . 9.6 tt -54.23 -35.53 30.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 126.485 1.914 . . . . 0.0 111.582 176.347 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -59.25 -24.13 62.93 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.23 1.412 . . . . 0.0 114.296 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.4 -14.48 35.4 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 178.213 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -99.7 174.99 5.97 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.585 1.154 . . . . 0.0 113.692 -170.27 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -116.38 94.19 4.53 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.18 1.792 . . . . 0.0 112.003 -172.404 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.9 -36.48 49.0 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.546 -0.721 . . . . 0.0 112.516 175.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -57.53 -30.65 65.34 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.313 1.845 . . . . 0.0 114.549 -175.246 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -85.35 -28.76 25.0 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 178.302 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -81.6 94.68 6.97 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.504 0.722 . . . . 0.0 109.959 -175.575 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -48.02 -34.87 10.07 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.014 1.325 . . . . 0.0 112.15 178.287 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 40.6 t -127.12 138.34 55.13 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 C-N-CA 124.15 0.98 . . . . 0.0 111.134 173.416 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 76.0 t -122.25 138.39 52.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.848 0.859 . . . . 0.0 109.972 169.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 27.7 mm -126.16 130.74 72.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 C-N-CA 124.282 1.033 . . . . 0.0 109.428 -178.33 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.4 t -97.65 137.16 36.97 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 118.762 0.71 . . . . 0.0 110.571 169.506 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.6 mp . . . . . 0 CA--C 1.537 0.477 0 C-N-CA 126.027 1.731 . . . . 0.0 109.611 177.625 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 55.5 t . . . . . 0 N--CA 1.482 1.133 0 CA-C-O 120.337 0.113 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 62.1 m-80 -132.32 1.77 3.82 Favored 'General case' 0 CA--C 1.554 1.101 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 177.121 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 71.1 mt 42.27 66.95 3.69 Favored Pre-proline 0 CA--C 1.556 1.19 0 C-N-CA 126.347 1.859 . . . . 0.0 114.786 -177.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -50.98 -29.37 27.13 Favored 'Trans proline' 0 CA--C 1.555 1.549 0 C-N-CA 123.322 2.681 . . . . 0.0 118.965 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -75.6 -160.89 0.11 Allowed 'Trans proline' 0 CA--C 1.546 1.092 0 C-N-CA 122.726 2.284 . . . . 0.0 115.143 -176.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -57.72 -9.46 1.23 Allowed 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.618 1.567 . . . . 0.0 115.001 174.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -61.4 -14.95 31.96 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.671 1.588 . . . . 0.0 115.075 172.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.6 m -116.1 0.92 8.32 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 124.535 1.134 . . . . 0.0 113.97 173.656 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 43.0 p -94.01 4.6 53.67 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.435 1.094 . . . . 0.0 113.378 178.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -75.28 179.14 5.32 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.956 1.302 . . . . 0.0 111.824 177.063 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -64.56 -37.91 89.2 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 121.444 -0.785 . . . . 0.0 112.622 -170.123 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 27.0 mt -137.67 137.85 44.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 123.719 0.808 . . . . 0.0 110.457 169.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -128.49 135.45 49.46 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.167 0.987 . . . . 0.0 109.39 168.589 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -135.78 153.64 51.47 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.083 0.953 . . . . 0.0 111.41 174.476 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -123.21 116.19 22.98 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.945 0.898 . . . . 0.0 111.576 172.13 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 41.8 m0 -106.46 83.57 1.89 Allowed 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 126.368 1.867 . . . . 0.0 109.348 -175.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -79.27 74.94 5.84 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.147 0.979 . . . . 0.0 111.467 -174.519 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 84.9 mt -86.74 161.66 18.28 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.666 1.186 . . . . 0.0 109.625 172.473 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -69.14 160.79 30.43 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.646 0.736 . . . . 0.0 110.938 173.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.433 ' HA ' ' HD3' ' A' ' 104' ' ' PRO . 11.6 t70 -102.54 113.52 65.84 Favored Pre-proline 0 CA--C 1.547 0.864 0 CA-C-O 118.861 -0.59 . . . . 0.0 111.854 -175.776 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 103' ' ' ASP . 51.5 Cg_exo -73.51 -8.13 21.24 Favored 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 123.027 2.485 . . . . 0.0 116.957 -171.237 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -57.46 112.16 1.33 Allowed 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.292 0.951 . . . . 0.0 112.143 -178.055 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.44 14.85 80.64 Favored Glycine 0 CA--C 1.538 1.479 0 CA-C-O 119.044 -0.864 . . . . 0.0 114.556 -178.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -88.41 -95.68 0.09 Allowed 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 118.653 1.227 . . . . 0.0 110.803 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 59.4 p -160.16 164.29 33.01 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 126.445 1.898 . . . . 0.0 110.119 174.143 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 51.8 mt -64.85 -34.3 78.06 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.675 -0.641 . . . . 0.0 111.744 175.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -61.29 -38.6 87.36 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.328 0.651 . . . . 0.0 112.18 171.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 65.4 t -70.04 -39.27 77.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 O-C-N 121.153 -0.967 . . . . 0.0 111.591 173.22 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -58.48 -48.46 80.69 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.634 1.107 . . . . 0.0 111.43 171.222 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 63.8 mtp85 -60.18 -39.1 85.3 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.959 1.304 . . . . 0.0 112.035 177.188 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 62.0 m -64.05 -37.76 88.62 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.714 1.206 . . . . 0.0 112.189 176.385 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 53.4 t -78.95 -44.0 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 123.808 0.843 . . . . 0.0 111.402 176.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -50.81 -48.96 59.57 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 126.511 1.924 . . . . 0.0 112.404 179.406 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -63.26 -36.45 93.43 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 123.642 0.639 . . . . 0.0 113.315 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -75.21 -39.2 60.3 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 117.868 0.834 . . . . 0.0 112.159 177.119 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 94.9 t -58.28 -47.96 86.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 O-C-N 121.407 -0.808 . . . . 0.0 110.531 169.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.411 ' HA ' HG22 ' A' ' 123' ' ' VAL . 78.0 tttt -57.28 -53.91 52.78 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.581 1.152 . . . . 0.0 111.871 175.729 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -61.37 -35.38 77.31 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.739 1.154 . . . . 0.0 111.968 -178.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 36.9 mtt180 -70.82 -41.66 71.25 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 116.998 -1.477 . . . . 0.0 112.996 175.384 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.411 HG22 ' HA ' ' A' ' 120' ' ' LYS . 30.8 m -63.8 -39.74 86.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-N 121.296 1.862 . . . . 0.0 113.1 171.355 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -62.6 -41.83 99.21 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 120.085 1.311 . . . . 0.0 111.811 175.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -31.76 72.4 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 177.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 54.4 tp -76.13 -48.99 18.57 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.821 0.848 . . . . 0.0 112.15 179.316 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 10.3 pt -63.17 -29.58 47.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-N 119.501 1.046 . . . . 0.0 112.555 -176.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.45 -20.04 63.77 Favored 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 174.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -86.74 -44.79 11.51 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.804 1.242 . . . . 0.0 112.892 173.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.293 1.4 pp -101.46 -0.3 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 N-CA-C 116.637 2.088 . . . . 0.0 116.637 -169.459 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 63.7 p . . . . . 0 C--O 1.255 1.348 0 CA-C-N 120.101 1.319 . . . . 0.0 113.732 175.111 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.457 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 17.6 ttt . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 119.652 -0.213 . . . . 0.0 111.328 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -130.55 166.2 21.1 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 125.5 1.52 . . . . 0.0 111.612 173.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -104.4 139.52 39.23 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.746 1.218 . . . . 0.0 111.239 -177.303 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.6 t -125.63 141.66 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 124.476 1.11 . . . . 0.0 110.23 179.52 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 7.1 tpp -134.61 134.61 41.42 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.878 0.871 . . . . 0.0 110.459 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -110.16 119.59 39.74 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.525 1.13 . . . . 0.0 111.667 -174.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.7 t -96.08 138.18 22.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 126.423 1.889 . . . . 0.0 111.157 173.155 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.3 t -136.45 173.58 11.55 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.874 1.669 . . . . 0.0 108.481 169.621 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.83 -45.74 73.8 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.217 -1.552 . . . . 0.0 112.169 -174.77 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.271 0.2 OUTLIER -125.73 10.54 7.76 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 116.707 2.114 . . . . 0.0 116.707 177.103 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.269 9.2 t-20 46.68 32.39 1.7 Allowed 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 128.861 2.864 . . . . 0.0 115.999 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.3 p -86.04 -40.18 16.05 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.566 1.546 . . . . 0.0 112.681 175.001 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.2 p -138.6 175.6 9.42 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 126.964 2.106 . . . . 0.0 110.835 -170.059 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.2 mtm-85 55.46 -78.35 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 126.909 2.084 . . . . 0.0 113.953 -171.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.8 p -48.38 -40.31 25.26 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 126.772 2.029 . . . . 0.0 114.499 179.122 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -67.46 -38.93 85.19 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.519 0.728 . . . . 0.0 111.742 176.68 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.3 mtp -72.84 -33.55 66.23 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.747 1.219 . . . . 0.0 111.459 176.3 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.47 -44.45 96.36 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.907 0.883 . . . . 0.0 111.517 171.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.49 -41.13 93.65 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.476 0.71 . . . . 0.0 111.858 170.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.91 -49.88 73.57 Favored Glycine 0 N--CA 1.471 0.987 0 C-N-CA 124.269 0.937 . . . . 0.0 114.431 173.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -67.64 -44.25 78.4 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.965 1.382 . . . . 0.0 111.661 176.514 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.69 -39.27 88.02 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.018 0.748 . . . . 0.0 113.018 -176.388 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.5 pttt -67.82 -26.7 66.19 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 119.974 1.261 . . . . 0.0 113.225 178.256 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.9 m -84.42 -55.81 3.96 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.294 1.438 . . . . 0.0 112.533 177.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 72.0 mt -81.74 -26.56 34.43 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.314 1.446 . . . . 0.0 112.328 -174.151 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -99.62 9.3 60.46 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 126.43 1.967 . . . . 0.0 114.553 176.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.92 113.73 0.85 Allowed 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 119.919 1.859 . . . . 0.0 112.651 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.86 -20.81 5.17 Favored Glycine 0 CA--C 1.539 1.592 0 C-N-CA 125.212 1.387 . . . . 0.0 115.087 -177.611 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.457 ' O ' ' HA ' ' A' ' 1' ' ' MET . 33.4 mtpt -74.94 -37.68 61.94 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.276 1.43 . . . . 0.0 110.374 169.687 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.5 pp -143.81 172.17 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 125.624 1.57 . . . . 0.0 113.3 177.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -125.51 142.42 51.51 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.457 1.503 . . . . 0.0 108.033 168.03 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.38 154.19 29.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 N-CA-C 115.601 1.704 . . . . 0.0 115.601 -169.118 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.7 m -146.87 155.22 42.15 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.34 1.856 . . . . 0.0 109.225 176.452 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 77.6 p -127.47 150.32 49.71 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 120.628 -1.295 . . . . 0.0 111.657 169.161 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 17.2 p -153.28 -177.35 6.27 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.331 1.452 . . . . 0.0 110.532 -179.43 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -152.5 167.18 31.39 Favored Glycine 0 C--O 1.223 -0.537 0 O-C-N 120.518 -1.364 . . . . 0.0 112.295 170.013 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.499 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -64.7 -14.83 60.1 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 118.884 1.342 . . . . 0.0 112.617 173.754 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -139.54 167.76 21.35 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 127.208 2.203 . . . . 0.0 109.183 169.096 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.9 p -120.95 152.51 38.43 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.356 1.462 . . . . 0.0 110.555 169.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.3 p -135.03 -84.37 0.41 Allowed 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.217 1.007 . . . . 0.0 111.847 174.008 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -158.75 146.42 17.87 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 128.253 2.621 . . . . 0.0 109.012 175.545 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.406 ' CG1' HD11 ' A' ' 47' ' ' ILE . 0.5 OUTLIER -61.98 132.9 27.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 CA-C-N 119.639 1.108 . . . . 0.0 109.475 169.76 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -74.41 127.96 86.7 Favored Pre-proline 0 CA--C 1.536 0.414 0 CA-C-O 118.982 -0.533 . . . . 0.0 110.95 -173.079 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -72.84 -26.39 15.76 Favored 'Trans proline' 0 CA--C 1.538 0.679 0 CA-C-N 120.311 1.147 . . . . 0.0 112.37 -170.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.1 m -76.86 -27.84 55.2 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 121.364 -0.835 . . . . 0.0 111.45 175.425 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.19 -47.54 81.0 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 120.912 -1.118 . . . . 0.0 111.784 170.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.406 HD11 ' CG1' ' A' ' 42' ' ' VAL . 6.5 mt -56.89 -47.14 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 123.508 0.723 . . . . 0.0 110.238 175.491 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.52 -38.39 84.24 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 112.743 0.645 . . . . 0.0 112.743 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 8.7 mmt -77.69 -26.88 50.57 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.321 1.048 . . . . 0.0 112.15 -179.194 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 84.2 mmm -77.77 -29.74 51.09 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 118.918 0.781 . . . . 0.0 111.484 169.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -68.23 -23.48 64.81 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.033 -1.042 . . . . 0.0 112.888 175.476 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -61.33 -28.8 69.47 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 119.979 1.263 . . . . 0.0 112.933 173.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.1 p -103.95 10.02 8.94 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 C-N-CA 126.413 1.885 . . . . 0.0 111.647 178.521 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.14 18.7 79.79 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 124.841 1.21 . . . . 0.0 115.097 174.562 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 69.7 mt -103.64 132.0 50.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.989 1.316 . . . . 0.0 109.962 -177.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -98.8 124.79 43.9 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.94 0.896 . . . . 0.0 111.522 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.2 pt -125.23 25.13 3.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.135 0.974 . . . . 0.0 111.695 169.429 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.7 m -77.41 -29.25 52.99 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.563 1.145 . . . . 0.0 112.475 178.435 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -80.78 11.41 40.86 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 125.475 1.512 . . . . 0.0 115.332 178.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -134.26 153.49 51.83 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.071 1.748 . . . . 0.0 109.829 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.7 t -147.36 -176.33 5.19 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 124.134 0.974 . . . . 0.0 110.452 179.349 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.0 p -84.35 132.84 34.56 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 -169.63 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -140.08 147.09 49.2 Favored Pre-proline 0 CA--C 1.55 0.978 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 -177.342 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -87.49 146.4 7.2 Favored 'Trans proline' 0 CA--C 1.544 0.983 0 C-N-CA 123.634 2.889 . . . . 0.0 114.366 -170.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.9 tt -57.05 -36.1 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 127.536 2.334 . . . . 0.0 112.263 -177.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -69.73 -11.13 60.61 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.803 1.408 . . . . 0.0 114.803 -177.55 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -92.99 -12.31 31.02 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 170.628 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -99.64 174.03 6.43 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.13 1.372 . . . . 0.0 113.51 -170.347 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -124.49 86.27 2.54 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.342 1.457 . . . . 0.0 112.969 -169.744 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.33 -33.2 41.61 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -178.569 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -57.02 -27.37 61.56 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.291 1.436 . . . . 0.0 114.155 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -96.15 2.78 53.4 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 177.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -107.91 97.76 7.43 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.055 0.942 . . . . 0.0 108.576 176.192 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -51.75 -35.44 43.45 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.404 0.681 . . . . 0.0 111.787 178.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 47.4 t -124.49 138.25 54.6 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 C-N-CA 124.522 1.129 . . . . 0.0 110.648 173.584 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 44.8 t -121.51 137.55 54.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 123.987 0.915 . . . . 0.0 109.827 169.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 27.4 mm -122.23 131.17 73.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 C-N-CA 124.475 1.11 . . . . 0.0 109.643 -178.467 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.0 m -97.18 139.38 33.24 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.282 0.633 . . . . 0.0 109.842 168.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.4 mp . . . . . 0 N--CA 1.467 0.389 0 C-N-CA 125.56 1.544 . . . . 0.0 109.118 176.813 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 60.2 t . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 119.458 -0.306 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -136.8 -3.29 2.06 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 116.381 1.993 . . . . 0.0 116.381 -175.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.9 mt 44.36 66.62 4.76 Favored Pre-proline 0 CA--C 1.555 1.166 0 C-N-CA 125.951 1.7 . . . . 0.0 114.979 -178.617 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -50.82 -29.3 25.96 Favored 'Trans proline' 0 CA--C 1.554 1.513 0 C-N-CA 123.496 2.797 . . . . 0.0 119.151 178.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -76.84 -160.33 0.11 Allowed 'Trans proline' 0 CA--C 1.548 1.2 0 C-N-CA 122.662 2.241 . . . . 0.0 114.926 -176.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -54.16 -11.34 0.46 Allowed 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 126.324 1.85 . . . . 0.0 115.3 173.194 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 88.1 m95 -60.5 -16.69 39.48 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.681 1.592 . . . . 0.0 114.839 173.028 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 32.9 m -117.31 3.21 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 174.641 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 43.3 p -94.21 4.03 54.44 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.334 1.054 . . . . 0.0 112.931 177.107 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 75.5 mm-40 -75.74 177.3 6.98 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.612 1.165 . . . . 0.0 111.817 177.341 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -65.44 -38.74 90.77 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 121.209 -0.932 . . . . 0.0 112.798 -169.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 41.6 mt -134.34 139.38 48.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 124.196 0.998 . . . . 0.0 110.308 170.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -130.18 131.22 45.51 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.454 1.102 . . . . 0.0 109.513 168.521 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -133.45 153.49 51.57 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.805 1.242 . . . . 0.0 111.204 176.641 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -127.4 101.32 6.4 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.146 0.979 . . . . 0.0 111.241 -178.66 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 35.5 m0 -95.08 86.4 4.59 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.923 1.689 . . . . 0.0 111.036 -174.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -77.01 117.1 18.26 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.624 0.77 . . . . 0.0 110.584 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 65.0 mt -138.59 170.29 16.26 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.748 2.019 . . . . 0.0 111.206 -178.25 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -62.41 172.25 1.61 Allowed 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 122.968 1.366 . . . . 0.0 113.327 175.193 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -119.62 92.92 46.89 Favored Pre-proline 0 CA--C 1.542 0.637 0 C-N-CA 125.664 1.586 . . . . 0.0 110.971 -175.135 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -70.7 -15.13 33.57 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 123.434 2.756 . . . . 0.0 116.371 -170.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -57.32 100.15 0.05 OUTLIER 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.948 1.699 . . . . 0.0 111.738 -177.217 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 87.16 13.62 65.79 Favored Glycine 0 CA--C 1.54 1.622 0 N-CA-C 115.578 0.991 . . . . 0.0 115.578 -176.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -90.26 -104.38 0.1 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.944 1.297 . . . . 0.0 111.557 179.224 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 60.6 p -155.05 164.78 38.4 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 126.727 2.011 . . . . 0.0 110.531 179.098 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 53.8 mt -63.48 -36.92 85.36 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 121.689 -0.632 . . . . 0.0 111.858 176.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -60.18 -39.09 85.22 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.39 0.676 . . . . 0.0 112.096 173.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 73.2 t -71.72 -37.61 63.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 O-C-N 121.258 -0.901 . . . . 0.0 111.538 174.583 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -60.43 -47.74 84.79 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 119.714 1.143 . . . . 0.0 111.43 171.699 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -61.78 -37.73 85.43 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.387 1.075 . . . . 0.0 111.932 177.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 52.6 m -63.0 -42.25 99.8 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 124.245 1.018 . . . . 0.0 112.066 176.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 60.1 t -71.58 -46.39 63.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 123.608 0.763 . . . . 0.0 112.068 172.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -53.1 -46.52 68.73 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 126.155 1.782 . . . . 0.0 112.359 -177.302 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -62.04 -36.68 93.25 Favored Glycine 0 N--CA 1.475 1.272 0 C-N-CA 123.128 0.394 . . . . 0.0 113.19 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -77.58 -43.92 30.16 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 121.9 -0.765 . . . . 0.0 111.517 177.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 57.5 t -56.13 -43.3 75.56 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 CA-C-N 119.39 0.995 . . . . 0.0 111.433 171.635 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -58.27 -56.71 18.57 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.0 0.92 . . . . 0.0 111.328 174.164 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -34.21 77.67 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 118.219 -0.896 . . . . 0.0 112.211 -175.51 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -61.86 -43.47 98.78 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 119.351 0.978 . . . . 0.0 110.784 174.681 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 20.3 t -61.6 -48.52 88.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 CA-C-O 118.399 -0.81 . . . . 0.0 113.07 170.381 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -60.38 -35.63 76.19 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 120.34 1.427 . . . . 0.0 112.705 178.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.74 -28.87 62.89 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 176.521 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 58.2 tp -76.88 -46.02 26.05 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.909 0.884 . . . . 0.0 112.514 176.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 7.9 pt -63.93 -26.01 39.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 CA-C-N 119.936 1.244 . . . . 0.0 112.659 179.567 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.8 -27.45 68.89 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 171.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 62.2 mtpt -86.12 -37.19 19.05 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.589 1.556 . . . . 0.0 113.01 -177.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.275 1.8 pp -120.18 6.27 6.43 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 N-CA-C 117.041 2.237 . . . . 0.0 117.041 -170.062 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 42.6 t . . . . . 0 C--O 1.255 1.353 0 CA-C-N 119.922 1.237 . . . . 0.0 111.26 169.517 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.461 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 16.7 ttt . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 119.535 -0.269 . . . . 0.0 111.197 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -130.47 161.62 31.02 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 125.599 1.56 . . . . 0.0 111.88 175.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -102.84 139.42 38.44 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.92 1.288 . . . . 0.0 111.237 -176.668 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.9 t -123.64 140.96 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.945 1.298 . . . . 0.0 110.187 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.6 tpp -135.0 132.66 38.58 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 123.66 0.784 . . . . 0.0 110.199 178.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -104.03 135.72 45.01 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.289 1.036 . . . . 0.0 111.194 -178.146 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.3 t -115.5 128.86 72.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 126.613 1.965 . . . . 0.0 109.61 171.571 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.4 t -128.51 177.57 6.91 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.841 1.257 . . . . 0.0 109.695 169.655 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.71 -48.09 41.73 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.43 -1.419 . . . . 0.0 112.784 -172.339 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.309 0.2 OUTLIER -120.1 11.86 11.76 Favored 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 115.929 1.825 . . . . 0.0 115.929 175.302 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 53.29 36.89 23.93 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 126.847 2.059 . . . . 0.0 114.683 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.0 p -93.83 -45.23 7.74 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 -172.026 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.2 p -130.74 -71.9 0.57 Allowed 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 114.536 1.309 . . . . 0.0 114.536 -169.479 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 96.3 mtm-85 -58.03 -48.06 81.2 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -169.144 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.0 p -66.37 -34.8 78.77 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.454 0.701 . . . . 0.0 112.315 176.103 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -71.57 -39.66 70.45 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.096 0.958 . . . . 0.0 111.427 -179.392 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 54.9 mtp -74.18 -31.93 62.87 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.624 1.569 . . . . 0.0 111.556 175.451 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.89 -42.53 97.44 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.689 0.796 . . . . 0.0 111.713 172.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -61.56 -39.28 90.54 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 118.859 -0.591 . . . . 0.0 110.832 169.567 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.78 -49.01 59.92 Favored Glycine 0 N--CA 1.474 1.221 0 C-N-CA 124.685 1.136 . . . . 0.0 114.515 173.279 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -72.93 -43.45 62.37 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 120.856 -1.379 . . . . 0.0 112.269 175.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.3 -36.82 82.31 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -176.404 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.6 ptmm? -65.73 -28.01 68.73 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-N 119.773 1.169 . . . . 0.0 113.027 177.072 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.9 m -89.47 -54.13 4.22 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.281 1.432 . . . . 0.0 112.376 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.7 mt -83.94 -24.67 30.59 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.254 1.421 . . . . 0.0 112.245 -173.6 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -99.2 5.46 59.17 Favored Glycine 0 CA--C 1.526 0.777 0 C-N-CA 126.237 1.875 . . . . 0.0 114.532 176.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.81 113.07 0.76 Allowed 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 120.009 1.905 . . . . 0.0 112.716 -177.684 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.66 -21.89 7.09 Favored Glycine 0 CA--C 1.538 1.513 0 C-N-CA 124.898 1.237 . . . . 0.0 114.774 -178.364 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 1' ' ' MET . 30.0 mtpt -75.95 -38.69 57.31 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.945 1.298 . . . . 0.0 110.645 169.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.4 pp -142.75 170.93 10.62 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 125.436 1.494 . . . . 0.0 112.707 -179.544 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -125.99 146.5 49.85 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.096 1.358 . . . . 0.0 108.507 168.167 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.81 149.78 25.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 N-CA-C 115.838 1.792 . . . . 0.0 115.838 -169.364 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.9 m -138.95 149.42 44.74 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.739 1.616 . . . . 0.0 109.757 174.379 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.3 t -118.63 137.38 53.32 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.61 1.564 . . . . 0.0 111.596 174.158 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 14.3 p -150.28 -177.81 6.15 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.308 1.443 . . . . 0.0 112.231 176.083 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -151.56 167.95 30.95 Favored Glycine 0 N--CA 1.467 0.766 0 O-C-N 120.403 -1.436 . . . . 0.0 112.436 169.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.498 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -63.99 -17.45 63.32 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 118.487 1.143 . . . . 0.0 112.318 172.137 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -140.07 162.17 35.87 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.963 2.105 . . . . 0.0 108.222 168.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.9 p -144.68 138.59 27.41 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.494 1.118 . . . . 0.0 111.726 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.1 t -133.93 -71.4 0.5 Allowed 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 173.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.36 159.35 38.68 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.904 1.282 . . . . 0.0 112.034 173.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.9 t -65.93 136.79 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 169.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 34.7 t-80 -65.1 122.6 80.58 Favored Pre-proline 0 CA--C 1.531 0.239 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 173.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -69.06 -23.57 33.82 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 CA-C-N 120.711 1.29 . . . . 0.0 112.17 -169.311 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.5 m -68.97 -25.69 64.66 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.19 -0.943 . . . . 0.0 112.29 172.368 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.57 -40.47 96.96 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 120.482 -1.386 . . . . 0.0 111.851 173.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -57.12 -46.06 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 173.459 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.25 -39.54 89.58 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.757 -0.59 . . . . 0.0 112.516 -178.107 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 7.6 mmt -74.92 -29.35 60.94 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.805 0.842 . . . . 0.0 112.17 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 81.1 mmm -76.22 -32.37 58.9 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 118.881 0.764 . . . . 0.0 111.335 169.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -67.83 -21.15 65.22 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 175.295 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -62.92 -25.65 68.43 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 120.099 1.318 . . . . 0.0 112.007 169.487 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.8 t -89.4 -5.8 10.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 126.11 1.764 . . . . 0.0 111.574 174.299 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.9 17.44 76.94 Favored Glycine 0 CA--C 1.542 1.73 0 O-C-N 120.988 -1.07 . . . . 0.0 113.41 -169.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.5 mt -95.71 126.95 48.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 124.888 1.275 . . . . 0.0 109.545 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -96.89 124.29 40.83 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.148 0.579 . . . . 0.0 112.006 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 9.5 pt -123.11 9.52 5.32 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 C-N-CA 125.25 1.42 . . . . 0.0 112.832 169.497 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 93.7 p -66.18 -19.26 65.78 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 120.461 -1.4 . . . . 0.0 114.431 -172.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.73 -1.07 76.56 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 124.828 1.204 . . . . 0.0 115.189 172.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -80.08 154.19 28.26 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.609 1.705 . . . . 0.0 111.87 178.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 23.9 p -145.32 142.94 29.87 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 128.232 2.613 . . . . 0.0 105.697 169.7 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 38.4 m -79.44 147.42 32.31 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 121.291 -0.881 . . . . 0.0 113.127 -169.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -145.83 150.47 42.96 Favored Pre-proline 0 N--CA 1.479 0.977 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -175.59 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -91.66 148.63 3.39 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 123.406 2.737 . . . . 0.0 113.42 -170.54 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.1 tt -54.2 -35.31 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 126.676 1.99 . . . . 0.0 111.975 177.742 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -60.34 -24.5 65.09 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.079 1.352 . . . . 0.0 114.129 -178.354 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -91.2 -12.77 34.34 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 178.521 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -96.74 169.55 9.79 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.809 1.244 . . . . 0.0 114.048 -169.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -118.47 86.34 2.52 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.205 1.402 . . . . 0.0 112.703 -169.652 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.27 -34.24 22.63 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -178.045 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -60.64 -23.73 64.99 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.165 1.386 . . . . 0.0 114.471 -176.706 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -99.15 3.24 46.47 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.937 0.895 . . . . 0.0 113.189 178.238 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -106.09 99.28 8.88 Favored 'General case' 0 N--CA 1.464 0.233 0 O-C-N 121.221 -0.924 . . . . 0.0 108.582 176.091 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -53.03 -35.63 59.67 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.233 0.613 . . . . 0.0 111.694 177.542 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 43.3 t -125.33 138.26 54.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 C-N-CA 124.345 1.058 . . . . 0.0 110.979 175.039 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 52.1 t -121.67 139.69 47.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.298 1.039 . . . . 0.0 110.301 170.05 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 23.9 mm -126.93 130.35 71.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 C-N-CA 124.383 1.073 . . . . 0.0 110.582 -174.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 37.8 t -100.45 136.99 39.47 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.714 0.806 . . . . 0.0 112.294 169.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 N--CA 1.472 0.643 0 C-N-CA 126.098 1.759 . . . . 0.0 109.607 177.393 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 97.0 t . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -130.28 -5.73 4.31 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 115.264 1.579 . . . . 0.0 115.264 -174.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 61.5 mt 43.06 66.15 4.74 Favored Pre-proline 0 N--CA 1.482 1.162 0 C-N-CA 126.217 1.807 . . . . 0.0 114.983 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -50.66 -28.75 23.34 Favored 'Trans proline' 0 CA--C 1.556 1.577 0 C-N-CA 123.634 2.889 . . . . 0.0 119.245 178.653 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -76.61 -160.22 0.11 Allowed 'Trans proline' 0 CA--C 1.548 1.201 0 C-N-CA 122.72 2.28 . . . . 0.0 114.627 -176.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -58.35 -9.55 1.61 Allowed 'General case' 0 N--CA 1.478 0.963 0 O-C-N 120.253 -1.529 . . . . 0.0 114.857 175.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -58.72 -16.4 16.39 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.993 1.717 . . . . 0.0 114.878 172.13 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.9 m -117.95 2.58 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 124.425 1.09 . . . . 0.0 113.934 173.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 35.5 p -95.34 3.55 54.31 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.397 1.079 . . . . 0.0 113.193 177.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 75.5 mm-40 -73.94 177.76 5.39 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.53 1.132 . . . . 0.0 111.863 175.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -64.21 -38.75 92.18 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.39 -0.819 . . . . 0.0 112.719 -170.272 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 20.2 mt -137.2 136.57 47.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 123.729 0.811 . . . . 0.0 110.475 171.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -123.38 131.15 53.56 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.111 0.964 . . . . 0.0 108.489 168.588 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -128.47 153.0 47.6 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.72 0.808 . . . . 0.0 111.266 174.455 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -130.58 122.53 27.69 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.332 0.653 . . . . 0.0 110.739 169.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 12.8 m95 -119.68 102.95 8.97 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.123 0.969 . . . . 0.0 108.99 -178.532 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 -91.21 115.09 27.75 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.495 0.718 . . . . 0.0 109.922 -170.639 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 81.7 mt -126.8 173.37 9.6 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.94 1.696 . . . . 0.0 112.241 -172.55 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 23.8 mp0 -64.87 166.69 8.7 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.051 1.74 . . . . 0.0 111.654 175.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -117.45 98.79 52.17 Favored Pre-proline 0 CA--C 1.543 0.684 0 C-N-CA 124.837 1.255 . . . . 0.0 111.23 -178.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -72.85 -14.27 26.7 Favored 'Trans proline' 0 C--N 1.356 0.967 0 C-N-CA 123.508 2.805 . . . . 0.0 116.247 -171.407 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -57.72 106.45 0.35 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.868 1.267 . . . . 0.0 111.807 -176.195 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 81.9 14.88 76.53 Favored Glycine 0 CA--C 1.54 1.595 0 C-N-CA 124.361 0.981 . . . . 0.0 114.95 -177.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -92.03 -101.75 0.12 Allowed 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.661 1.184 . . . . 0.0 111.354 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 66.8 p -157.68 164.52 37.08 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 126.264 1.825 . . . . 0.0 110.303 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 77.3 mt -62.72 -37.39 86.36 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.615 -0.678 . . . . 0.0 111.937 176.537 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -58.55 -38.06 77.02 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 121.621 -0.674 . . . . 0.0 112.512 172.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 77.8 t -73.19 -36.01 48.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 O-C-N 121.119 -0.988 . . . . 0.0 112.08 174.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -61.4 -46.03 91.84 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.574 1.079 . . . . 0.0 111.302 170.306 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 -62.37 -37.73 86.86 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.469 1.108 . . . . 0.0 111.869 176.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 53.3 m -61.84 -43.05 99.63 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.289 1.036 . . . . 0.0 111.922 174.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.14 -45.97 74.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 O-C-N 121.122 -0.986 . . . . 0.0 111.629 173.235 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 57.5 ttp180 -50.98 -49.08 60.96 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.746 1.618 . . . . 0.0 112.083 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -61.49 -37.33 93.96 Favored Glycine 0 CA--C 1.532 1.153 0 C-N-CA 123.652 0.644 . . . . 0.0 113.076 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -75.51 -48.54 22.11 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 117.724 0.762 . . . . 0.0 111.342 177.363 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 79.7 t -53.61 -42.84 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 O-C-N 120.876 -1.14 . . . . 0.0 111.122 174.408 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -57.54 -55.69 31.62 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.156 0.982 . . . . 0.0 111.489 172.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -65.74 -35.28 80.28 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -174.106 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -64.77 -43.66 92.54 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.51 1.05 . . . . 0.0 110.85 175.647 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 13.8 t -61.41 -48.99 86.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 CA-C-O 117.814 -1.089 . . . . 0.0 113.1 171.525 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -59.75 -35.91 75.54 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 120.835 1.652 . . . . 0.0 112.458 179.045 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.34 -25.46 60.62 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 178.705 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 43.2 tp -83.37 -47.45 11.43 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.026 1.33 . . . . 0.0 111.893 178.482 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 7.9 pt -64.07 -28.82 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 CA-C-N 119.23 0.923 . . . . 0.0 112.652 -176.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.94 -20.15 64.2 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 175.17 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -85.22 -36.94 20.65 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.561 1.145 . . . . 0.0 113.024 174.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.2 pt -108.4 1.71 9.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 N-CA-C 116.286 1.958 . . . . 0.0 116.286 -169.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 54.0 p . . . . . 0 C--O 1.256 1.42 0 C-N-CA 124.339 1.056 . . . . 0.0 113.413 173.596 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.442 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 55.2 ttm . . . . . 0 N--CA 1.488 1.448 0 N-CA-C 111.57 0.211 . . . . 0.0 111.57 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -130.02 164.14 24.96 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 126.359 1.864 . . . . 0.0 110.62 169.713 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.407 ' HB2' ' HE2' ' A' ' 3' ' ' LYS . 1.6 mppt? -107.78 141.01 39.99 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.693 1.197 . . . . 0.0 111.636 -174.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.6 t -121.9 139.68 48.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 124.275 1.03 . . . . 0.0 109.964 178.258 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.8 tpp -132.27 133.85 44.58 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 123.999 0.92 . . . . 0.0 110.307 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -108.24 135.13 50.07 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.521 1.128 . . . . 0.0 111.493 -176.042 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.4 t -115.42 120.68 65.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 126.812 2.045 . . . . 0.0 110.01 174.267 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 51.1 t -118.85 171.82 7.96 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.94 1.296 . . . . 0.0 110.516 169.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.3 ttpt -67.58 -45.92 74.16 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.499 -1.376 . . . . 0.0 113.424 -171.058 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.301 0.2 OUTLIER -123.4 14.4 9.59 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 115.432 1.642 . . . . 0.0 115.432 174.147 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.263 6.3 t-20 47.38 34.44 3.28 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 128.531 2.732 . . . . 0.0 116.171 -177.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.2 p -95.31 -42.55 8.47 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 125.453 1.501 . . . . 0.0 112.767 177.291 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.0 p -121.09 174.59 6.56 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.157 1.783 . . . . 0.0 111.964 -173.371 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 93.2 mtm-85 55.84 -75.82 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 127.456 2.302 . . . . 0.0 114.742 176.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.8 p -44.77 -43.3 8.47 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 126.718 2.007 . . . . 0.0 113.776 174.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -70.68 -34.47 72.03 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.868 0.867 . . . . 0.0 112.233 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 38.9 mtt -70.99 -34.96 71.89 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.239 1.016 . . . . 0.0 111.899 169.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.37 -42.14 98.84 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.358 0.663 . . . . 0.0 110.962 178.324 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -62.05 -40.38 95.57 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 118.91 -0.567 . . . . 0.0 110.991 169.45 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.16 -49.58 66.94 Favored Glycine 0 N--CA 1.473 1.14 0 C-N-CA 124.798 1.189 . . . . 0.0 114.838 174.714 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -70.74 -42.95 69.82 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 120.939 -1.33 . . . . 0.0 111.65 176.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.36 -39.51 85.7 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -178.155 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.3 ptmm? -64.71 -27.41 68.89 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-N 120.0 1.273 . . . . 0.0 113.17 177.729 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.3 m -87.08 -54.4 4.34 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.247 1.419 . . . . 0.0 112.66 178.125 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 69.0 mt -84.71 -22.97 29.55 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.226 1.41 . . . . 0.0 112.507 -171.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -102.02 9.19 56.38 Favored Glycine 0 CA--C 1.529 0.961 0 C-N-CA 126.28 1.895 . . . . 0.0 114.469 174.465 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.76 110.63 0.49 Allowed 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 119.554 1.677 . . . . 0.0 112.553 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.38 -13.5 60.0 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 124.341 0.972 . . . . 0.0 114.062 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 1' ' ' MET . 28.0 mtpt -85.99 -42.15 14.26 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.473 1.509 . . . . 0.0 110.934 169.455 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.3 pp -139.5 174.45 9.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.624 1.17 . . . . 0.0 113.128 -172.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -132.3 143.67 50.05 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.895 1.278 . . . . 0.0 108.679 168.692 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.22 148.58 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 -169.538 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.5 m -137.0 146.28 45.13 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.317 1.447 . . . . 0.0 110.112 175.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.7 t -116.09 136.77 52.72 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.629 1.572 . . . . 0.0 111.619 174.126 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 13.5 p -151.0 -177.51 6.06 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.685 1.594 . . . . 0.0 112.092 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -153.98 169.9 32.55 Favored Glycine 0 C--O 1.222 -0.613 0 O-C-N 120.174 -1.579 . . . . 0.0 112.331 171.304 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.534 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -63.84 -14.73 55.49 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 119.023 1.412 . . . . 0.0 112.975 174.753 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -154.44 165.6 35.91 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 127.419 2.288 . . . . 0.0 109.148 168.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.0 p -116.04 158.54 22.97 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.436 1.494 . . . . 0.0 112.569 -177.173 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.1 t -142.12 -82.08 0.21 Allowed 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.896 1.279 . . . . 0.0 110.688 170.047 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.72 158.93 18.21 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 127.959 2.504 . . . . 0.0 109.184 172.582 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.7 t -61.19 136.39 24.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 CA-C-N 120.483 1.492 . . . . 0.0 108.675 169.547 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -65.14 123.9 85.34 Favored Pre-proline 0 N--CA 1.466 0.348 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 175.373 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -69.95 -23.57 29.77 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 CA-C-N 120.271 1.133 . . . . 0.0 112.342 -168.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 47.7 m -70.69 -24.78 62.73 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.139 -0.975 . . . . 0.0 111.814 173.022 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.47 -39.85 95.55 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 120.716 -1.24 . . . . 0.0 111.808 174.064 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -55.79 -47.56 79.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 173.134 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.7 -42.86 97.93 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 120.841 0.353 . . . . 0.0 111.834 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 24.5 mmt -69.85 -24.4 63.43 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.423 1.089 . . . . 0.0 113.168 -179.218 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 81.9 mmm -81.1 -34.0 32.91 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.585 0.754 . . . . 0.0 111.6 169.43 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -67.8 -26.84 66.29 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.035 -1.041 . . . . 0.0 112.929 175.114 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -57.65 -30.18 65.2 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 119.473 1.033 . . . . 0.0 112.949 171.552 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . 0.255 6.2 p -107.22 13.56 8.3 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.881 0 C-N-CA 126.82 2.048 . . . . 0.0 111.259 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.5 20.86 79.45 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 125.391 1.472 . . . . 0.0 115.246 171.63 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 71.9 mt -110.78 140.69 28.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 125.573 1.549 . . . . 0.0 110.168 -177.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -107.24 123.91 48.98 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.632 0.773 . . . . 0.0 112.384 178.399 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.1 pt -120.94 10.15 6.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 125.142 1.377 . . . . 0.0 112.789 169.445 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.7 t -65.38 -26.56 68.06 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 120.617 -1.302 . . . . 0.0 112.869 -174.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -74.53 -1.04 60.28 Favored Glycine 0 CA--C 1.539 1.577 0 CA-C-O 118.613 -1.104 . . . . 0.0 115.311 172.481 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -89.92 155.46 19.11 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 119.643 1.721 . . . . 0.0 111.329 177.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 24.6 p -134.53 164.1 28.22 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 127.645 2.378 . . . . 0.0 108.231 176.165 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.5 p -93.23 140.33 29.65 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 176.091 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -143.4 147.49 40.22 Favored Pre-proline 0 CA--C 1.552 1.034 0 C-N-CA 124.48 1.112 . . . . 0.0 113.964 -176.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -84.96 147.59 10.53 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 124.005 3.137 . . . . 0.0 113.891 -174.412 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.9 tt -57.01 -35.22 46.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 127.422 2.289 . . . . 0.0 112.082 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -63.1 -22.47 66.88 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -177.523 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.24 -13.57 43.44 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 176.359 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -98.72 170.13 9.0 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.114 1.366 . . . . 0.0 113.629 -169.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -119.86 85.66 2.42 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.193 1.397 . . . . 0.0 112.96 -169.827 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.27 -35.72 18.65 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -58.99 -25.49 63.68 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.275 1.43 . . . . 0.0 114.101 -176.038 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -86.63 -30.44 21.77 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 176.558 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -79.97 99.51 7.66 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.525 -0.734 . . . . 0.0 109.396 -173.35 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -51.9 -33.04 35.17 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.776 0.83 . . . . 0.0 111.695 178.452 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 42.6 t -128.0 136.46 60.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 C-N-CA 124.333 1.053 . . . . 0.0 111.015 174.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.1 t -120.92 138.66 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.2 1.0 . . . . 0.0 110.119 170.526 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 27.1 mm -125.79 131.5 71.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 124.801 1.241 . . . . 0.0 108.922 -178.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 76.9 p -104.95 145.68 30.08 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.976 0.807 . . . . 0.0 110.707 169.222 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 mp . . . . . 0 N--CA 1.472 0.667 0 C-N-CA 125.554 1.542 . . . . 0.0 109.783 -172.368 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 90.6 t . . . . . 0 N--CA 1.471 0.587 0 CA-C-O 122.099 0.952 . . . . 0.0 113.454 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -146.57 154.5 41.58 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.235 1.814 . . . . 0.0 108.067 168.446 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 73.0 mt -116.89 67.58 4.13 Favored Pre-proline 0 CA--C 1.55 0.968 0 C-N-CA 124.092 0.957 . . . . 0.0 111.044 -177.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -59.77 -16.05 35.37 Favored 'Trans proline' 0 CA--C 1.556 1.608 0 N-CA-C 118.652 2.52 . . . . 0.0 118.652 -174.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -74.03 -160.39 0.1 OUTLIER 'Trans proline' 0 CA--C 1.548 1.178 0 CA-C-N 123.443 2.265 . . . . 0.0 114.016 175.108 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -59.22 -9.58 2.27 Favored 'General case' 0 CA--C 1.549 0.932 0 O-C-N 120.193 -1.567 . . . . 0.0 114.689 175.111 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 92.5 m95 -58.35 -18.19 25.72 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.638 1.575 . . . . 0.0 114.958 172.595 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 35.2 m -115.78 1.25 8.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 124.453 1.101 . . . . 0.0 113.804 174.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 41.8 p -94.11 2.9 55.93 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.17 0.988 . . . . 0.0 113.111 178.118 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -73.62 176.25 6.37 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.82 1.248 . . . . 0.0 111.918 177.612 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -65.19 -37.31 86.93 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 121.317 -0.864 . . . . 0.0 112.642 -169.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 32.0 mt -135.85 137.25 49.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 123.901 0.881 . . . . 0.0 110.076 169.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -126.83 135.8 51.5 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.557 1.143 . . . . 0.0 109.93 169.056 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -136.78 153.38 50.84 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.375 1.07 . . . . 0.0 112.025 176.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -124.89 98.9 5.9 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.757 1.223 . . . . 0.0 110.191 178.164 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 39.4 m0 -90.77 80.02 5.93 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 125.537 1.535 . . . . 0.0 110.563 -177.483 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -71.73 116.29 11.93 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.659 178.448 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 92.7 mt -137.82 167.84 20.92 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.658 1.983 . . . . 0.0 109.762 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -74.7 178.98 5.04 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 122.026 0.917 . . . . 0.0 112.913 178.219 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -118.63 99.03 51.45 Favored Pre-proline 0 CA--C 1.544 0.716 0 C-N-CA 124.216 1.006 . . . . 0.0 112.495 -169.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -70.01 -11.91 31.42 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 124.145 3.23 . . . . 0.0 116.661 -173.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -55.32 108.25 0.4 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.822 1.249 . . . . 0.0 111.635 -179.241 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 77.84 14.58 82.21 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 124.321 0.962 . . . . 0.0 114.937 -178.64 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -90.35 -96.89 0.11 Allowed 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 118.796 1.298 . . . . 0.0 111.597 -179.194 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 60.0 p -158.22 162.93 37.89 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 126.475 1.91 . . . . 0.0 110.183 176.126 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 54.2 mt -65.1 -33.8 76.89 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.653 -0.654 . . . . 0.0 112.039 177.358 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -61.83 -39.11 90.67 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.096 0.558 . . . . 0.0 112.28 171.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 64.4 t -69.76 -37.69 74.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 O-C-N 120.74 -1.225 . . . . 0.0 111.335 174.033 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -58.9 -50.45 73.96 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.021 0.828 . . . . 0.0 111.431 170.226 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 23.3 mtp85 -55.08 -42.14 72.44 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.155 1.382 . . . . 0.0 112.37 174.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 89.1 m -63.16 -38.26 90.46 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.65 1.18 . . . . 0.0 112.292 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 58.0 t -77.73 -46.05 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 O-C-N 121.536 -0.728 . . . . 0.0 111.505 174.4 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 48.2 ttp180 -52.23 -47.89 65.45 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 126.577 1.951 . . . . 0.0 112.328 -178.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -61.53 -34.79 89.7 Favored Glycine 0 N--CA 1.476 1.341 0 C-N-CA 123.677 0.656 . . . . 0.0 113.383 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -77.34 -43.74 31.93 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.662 -0.905 . . . . 0.0 111.675 177.423 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 59.9 t -56.19 -43.95 77.79 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 O-C-N 121.2 -0.938 . . . . 0.0 111.289 170.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 38.8 tttm -56.81 -55.02 39.68 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.51 1.124 . . . . 0.0 111.732 173.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -65.94 -35.1 79.68 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 118.601 -0.714 . . . . 0.0 112.554 -174.53 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 28.9 mmm180 -63.76 -43.06 97.55 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.397 0.999 . . . . 0.0 111.083 173.591 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 19.1 t -59.81 -51.28 74.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 CA-C-N 119.567 1.076 . . . . 0.0 113.342 171.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -59.18 -35.64 73.93 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 120.613 1.551 . . . . 0.0 112.658 179.059 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.27 -29.89 63.05 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 177.645 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 48.0 tp -76.58 -50.45 13.85 Favored 'General case' 0 CA--C 1.524 -0.056 0 C-N-CA 124.048 0.939 . . . . 0.0 111.555 178.138 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 6.5 pt -61.79 -33.17 56.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 CA-C-N 119.366 0.985 . . . . 0.0 111.819 -174.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.47 -21.21 66.61 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 175.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -85.33 -41.05 15.85 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.656 1.183 . . . . 0.0 112.887 174.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.253 1.9 pp -106.05 -0.66 9.99 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 -169.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 39.8 m . . . . . 0 C--O 1.254 1.294 0 C-N-CA 124.23 1.012 . . . . 0.0 112.386 174.382 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.452 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 56.7 ttm . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 119.694 -0.193 . . . . 0.0 111.472 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -128.82 166.43 19.07 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 125.99 1.716 . . . . 0.0 110.829 169.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -107.41 141.46 38.77 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.75 1.22 . . . . 0.0 111.91 -175.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.8 t -123.05 140.69 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 124.536 1.134 . . . . 0.0 109.823 176.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.3 tpp -132.01 133.38 44.38 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.907 0.883 . . . . 0.0 109.987 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -106.98 131.67 53.79 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.839 0.856 . . . . 0.0 111.248 -177.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.3 t -109.23 132.3 57.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 126.639 1.976 . . . . 0.0 109.961 171.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 46.9 t -130.73 171.84 12.66 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.322 1.449 . . . . 0.0 108.835 169.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -63.74 -50.89 67.33 Favored 'General case' 0 N--CA 1.484 1.261 0 O-C-N 120.677 -1.264 . . . . 0.0 112.714 -169.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.302 0.0 OUTLIER -121.77 15.75 10.99 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 115.943 1.831 . . . . 0.0 115.943 173.927 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 53.55 23.7 3.67 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 128.739 2.816 . . . . 0.0 116.482 -176.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.3 p -82.31 -31.02 30.16 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.419 1.087 . . . . 0.0 113.605 -176.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.5 t -149.46 -177.31 5.79 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.577 1.551 . . . . 0.0 110.955 -174.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.7 mtm-85 57.13 -77.11 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 127.682 2.393 . . . . 0.0 114.235 -175.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 54.1 p -44.25 -43.2 7.13 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 126.52 1.928 . . . . 0.0 113.684 174.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -68.88 -37.54 79.1 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.451 1.1 . . . . 0.0 112.254 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.1 mtt -68.73 -35.06 76.65 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.071 0.949 . . . . 0.0 111.569 170.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.62 -42.72 95.31 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.383 0.673 . . . . 0.0 110.72 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -62.24 -43.39 98.93 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 118.908 -0.568 . . . . 0.0 110.957 169.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.16 -48.5 63.27 Favored Glycine 0 N--CA 1.475 1.239 0 C-N-CA 124.455 1.026 . . . . 0.0 114.74 175.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -71.15 -45.72 62.96 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 121.15 -1.206 . . . . 0.0 111.71 175.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.54 -40.24 95.23 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 -177.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -67.44 -25.06 65.72 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 119.414 1.006 . . . . 0.0 113.273 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.2 m -87.43 -55.18 3.91 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.452 1.501 . . . . 0.0 112.558 176.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 76.4 mt -80.94 -30.74 35.19 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.211 1.404 . . . . 0.0 112.151 -172.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -97.46 11.62 65.04 Favored Glycine 0 CA--C 1.527 0.795 0 C-N-CA 126.258 1.885 . . . . 0.0 114.512 175.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.95 112.3 0.76 Allowed 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 119.511 1.656 . . . . 0.0 112.44 178.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.9 -13.89 58.07 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 124.444 1.021 . . . . 0.0 114.356 -178.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 1' ' ' MET . 22.2 mtpp -86.22 -41.11 14.91 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.345 1.458 . . . . 0.0 110.74 169.512 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.3 pp -139.68 174.28 9.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 124.839 1.256 . . . . 0.0 113.513 -174.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -131.05 141.87 50.24 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.3 1.44 . . . . 0.0 108.453 168.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -138.67 151.21 23.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 N-CA-C 114.828 1.418 . . . . 0.0 114.828 -169.311 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.0 m -140.6 147.07 38.82 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.564 1.545 . . . . 0.0 109.752 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.7 t -117.12 139.26 50.95 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.338 1.455 . . . . 0.0 111.962 174.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 15.0 p -153.26 -178.51 7.01 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.239 1.415 . . . . 0.0 112.662 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -152.98 161.55 29.65 Favored Glycine 0 C--O 1.223 -0.591 0 O-C-N 120.143 -1.598 . . . . 0.0 112.937 170.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.588 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -67.13 -16.12 64.13 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 117.917 0.859 . . . . 0.0 113.226 178.03 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -133.82 165.48 24.87 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 127.104 2.162 . . . . 0.0 108.12 168.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.0 t -127.71 143.46 51.14 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.615 0.766 . . . . 0.0 112.111 178.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 81.8 p -136.52 -99.47 0.21 Allowed 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.299 1.44 . . . . 0.0 111.457 176.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -155.27 155.12 33.23 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 127.859 2.463 . . . . 0.0 110.064 171.253 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -59.37 135.99 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 118.528 0.604 . . . . 0.0 111.377 170.319 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -72.25 127.22 90.59 Favored Pre-proline 0 CA--C 1.531 0.232 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 175.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.24 -26.21 25.55 Favored 'Trans proline' 0 CA--C 1.537 0.653 0 CA-C-N 120.503 1.215 . . . . 0.0 112.733 -169.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 20.4 m -68.29 -25.37 65.11 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.46 -0.775 . . . . 0.0 111.911 174.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.49 -45.18 92.42 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 120.817 -1.177 . . . . 0.0 111.882 175.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.4 mt -61.77 -43.79 97.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 123.942 0.897 . . . . 0.0 110.425 176.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.27 -38.56 87.18 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.314 0.578 . . . . 0.0 112.286 177.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 21.6 mmt -74.97 -29.82 61.02 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.927 1.291 . . . . 0.0 112.525 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 83.0 mmm -77.56 -29.94 52.44 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.063 0.847 . . . . 0.0 111.747 169.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -69.6 -22.91 63.47 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.997 -1.064 . . . . 0.0 112.867 175.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -60.17 -29.55 68.76 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 119.714 1.143 . . . . 0.0 112.549 170.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.0 m -103.65 10.48 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 125.478 1.511 . . . . 0.0 112.755 176.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.41 20.59 79.43 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 125.018 1.294 . . . . 0.0 115.266 176.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.4 mt -104.8 133.91 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 125.031 1.332 . . . . 0.0 110.034 -178.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -101.11 125.59 47.74 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.557 0.743 . . . . 0.0 112.373 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 33.8 pt -123.44 12.18 5.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.958 1.303 . . . . 0.0 113.002 169.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.5 t -66.81 -25.17 66.32 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 120.599 -1.313 . . . . 0.0 113.29 -175.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.86 0.32 45.85 Favored Glycine 0 CA--C 1.542 1.754 0 C-N-CA 124.755 1.169 . . . . 0.0 115.204 171.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -110.43 151.56 27.35 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.686 1.594 . . . . 0.0 110.876 177.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.3 t -149.84 -178.6 6.56 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 125.757 1.623 . . . . 0.0 106.687 168.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.2 m -67.37 137.25 55.83 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 -176.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -140.36 145.04 39.45 Favored Pre-proline 0 CA--C 1.551 1.017 0 C-N-CA 125.402 1.481 . . . . 0.0 112.958 171.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -85.75 144.53 8.73 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 123.374 2.716 . . . . 0.0 114.245 -171.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.5 tt -53.87 -35.34 27.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 127.408 2.283 . . . . 0.0 111.82 176.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -62.86 -23.69 67.43 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 -177.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.94 -12.81 43.52 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 176.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -99.89 171.47 7.84 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.179 1.392 . . . . 0.0 113.172 -170.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -123.43 82.46 2.01 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.233 1.413 . . . . 0.0 113.165 -169.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.567 ' HB2' ' CD2' ' A' ' 90' ' ' TRP . . . -54.73 -27.99 44.88 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 -178.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -58.2 -32.29 68.13 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.232 1.413 . . . . 0.0 113.984 177.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -91.21 -29.38 17.25 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -178.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -71.26 109.52 5.34 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 177.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -56.77 -30.99 64.17 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 122.961 0.504 . . . . 0.0 111.592 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 46.6 t -130.93 138.52 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 C-N-CA 124.88 1.272 . . . . 0.0 110.709 177.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 41.2 t -124.92 137.56 57.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 123.959 0.904 . . . . 0.0 109.954 171.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 27.3 mm -122.8 134.71 65.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 C-N-CA 124.422 1.089 . . . . 0.0 109.735 -177.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.5 t -101.92 137.65 39.93 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.719 0.808 . . . . 0.0 111.386 169.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.5 mp -137.36 47.06 2.11 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 126.041 1.737 . . . . 0.0 109.228 -177.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 77.4 m -94.99 -19.25 20.36 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 116.12 1.896 . . . . 0.0 116.12 -169.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.32 50.72 6.51 Favored Glycine 0 CA--C 1.536 1.365 0 CA-C-N 119.017 0.826 . . . . 0.0 112.434 -173.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 64.3 m 60.11 -177.9 0.1 Allowed 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.892 2.077 . . . . 0.0 113.583 -172.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 78.48 5.13 87.86 Favored Glycine 0 CA--C 1.538 1.477 0 O-C-N 121.131 -0.981 . . . . 0.0 115.248 -177.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 58.7 t -141.26 132.15 27.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 125.523 1.529 . . . . 0.0 110.643 -171.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -130.61 -5.32 4.15 Favored 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 -178.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.456 HD13 ' HB3' ' A' ' 90' ' ' TRP . 37.7 mt 42.89 64.79 5.95 Favored Pre-proline 0 N--CA 1.485 1.285 0 C-N-CA 126.366 1.866 . . . . 0.0 114.845 -177.626 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -50.91 -28.2 23.11 Favored 'Trans proline' 0 CA--C 1.553 1.451 0 C-N-CA 123.449 2.766 . . . . 0.0 119.123 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -76.47 -156.46 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.231 0 C-N-CA 122.476 2.117 . . . . 0.0 115.185 -176.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.486 ' HG3' ' HB3' ' A' ' 70' ' ' ALA . 10.2 pt-20 -52.87 -14.2 0.53 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.337 1.455 . . . . 0.0 114.452 169.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.567 ' CD2' ' HB2' ' A' ' 70' ' ' ALA . 93.5 m95 -66.24 6.23 0.44 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.657 1.983 . . . . 0.0 116.043 175.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 27.0 m -134.85 9.75 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 125.107 1.363 . . . . 0.0 113.06 169.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 44.8 p -100.51 11.57 39.18 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.756 1.223 . . . . 0.0 112.991 -178.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.47 ' NE2' ' HB1' ' A' ' 70' ' ' ALA . 25.3 mp0 -59.75 175.38 0.37 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 128.265 2.626 . . . . 0.0 114.198 177.094 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -68.4 -38.73 81.56 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.453 169.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 28.5 mt -137.23 138.45 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.689 1.196 . . . . 0.0 110.416 170.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -128.74 135.31 49.03 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.452 1.101 . . . . 0.0 108.57 168.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -135.35 156.12 49.46 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.552 1.141 . . . . 0.0 111.153 176.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -128.55 114.35 16.62 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.687 0.795 . . . . 0.0 112.031 174.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 33.7 m0 -103.68 91.32 3.96 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.781 1.633 . . . . 0.0 109.603 -174.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -86.07 81.33 8.51 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.903 0.881 . . . . 0.0 110.381 -173.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 51.0 mt -94.61 175.62 6.6 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.423 1.489 . . . . 0.0 111.301 -177.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 27.2 mp0 -63.96 168.97 4.65 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.073 1.349 . . . . 0.0 111.587 172.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -121.23 93.93 48.79 Favored Pre-proline 0 CA--C 1.544 0.746 0 C-N-CA 124.967 1.307 . . . . 0.0 111.09 -173.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -71.72 -17.5 29.4 Favored 'Trans proline' 0 C--N 1.358 1.042 0 C-N-CA 123.78 2.986 . . . . 0.0 117.327 -169.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -60.7 106.11 0.53 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 123.991 0.917 . . . . 0.0 111.477 -175.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 87.2 12.32 68.01 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 124.192 0.901 . . . . 0.0 114.489 -177.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -91.56 -113.1 0.09 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.155 1.382 . . . . 0.0 110.558 177.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 40.3 m -152.76 159.56 43.11 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.727 2.011 . . . . 0.0 109.569 -177.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.0 mp -68.25 -25.67 65.29 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 120.983 -1.073 . . . . 0.0 112.285 -175.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -64.28 -33.9 76.9 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 120.976 -1.078 . . . . 0.0 112.069 169.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 99.3 t -74.33 -38.08 46.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 O-C-N 121.224 -0.922 . . . . 0.0 110.577 174.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -60.25 -46.02 91.25 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.041 0.837 . . . . 0.0 111.313 169.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 61.1 mtp85 -61.25 -40.2 93.17 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.519 1.128 . . . . 0.0 112.161 176.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 53.4 m -60.89 -43.23 98.75 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.548 1.139 . . . . 0.0 111.696 175.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 50.2 t -68.59 -48.31 72.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 O-C-N 121.283 -0.886 . . . . 0.0 111.846 173.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -52.9 -46.64 68.07 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.705 1.602 . . . . 0.0 112.279 -177.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -62.24 -38.25 95.89 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 123.458 0.552 . . . . 0.0 113.26 178.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -72.14 -44.56 62.94 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.865 -0.785 . . . . 0.0 111.385 176.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 61.4 t -57.18 -44.64 83.84 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 O-C-N 120.909 -1.119 . . . . 0.0 111.406 173.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -58.02 -52.89 63.66 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.939 0.896 . . . . 0.0 111.354 175.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -64.86 -37.8 88.84 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 118.689 -0.672 . . . . 0.0 112.479 -175.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 -64.24 -44.05 93.03 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.441 1.019 . . . . 0.0 111.258 174.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 14.0 t -60.25 -49.29 84.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 CA-C-O 117.84 -1.076 . . . . 0.0 113.452 173.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -61.14 -35.16 76.31 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 120.625 1.557 . . . . 0.0 112.398 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -29.6 63.12 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 177.176 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 48.0 tp -77.43 -50.58 12.41 Favored 'General case' 0 C--O 1.228 -0.048 0 C-N-CA 124.013 0.925 . . . . 0.0 111.801 178.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.8 pt -61.73 -31.88 52.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 CA-C-N 119.113 0.869 . . . . 0.0 112.055 -174.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.72 -21.56 65.29 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 175.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -83.48 -39.54 20.38 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.702 1.201 . . . . 0.0 112.868 174.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.273 1.9 pp -107.82 1.17 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 N-CA-C 115.767 1.765 . . . . 0.0 115.767 -170.173 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.0 m . . . . . 0 C--O 1.255 1.394 0 C-N-CA 124.514 1.125 . . . . 0.0 112.616 170.96 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.448 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 15.9 ttt . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 119.856 -0.116 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -129.94 166.25 20.43 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 126.023 1.729 . . . . 0.0 111.542 172.021 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -106.36 139.38 40.93 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.795 1.238 . . . . 0.0 110.961 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.2 t -124.54 141.26 45.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 124.345 1.058 . . . . 0.0 109.996 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 11.2 tpp -133.86 133.59 41.73 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.111 0.964 . . . . 0.0 110.17 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -111.34 120.62 42.83 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.442 1.097 . . . . 0.0 110.709 -176.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.2 t -98.24 140.89 17.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 124.808 1.243 . . . . 0.0 111.836 176.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 49.0 t -133.04 178.82 6.6 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 127.616 2.366 . . . . 0.0 109.924 176.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.99 -53.14 15.87 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 119.917 -1.739 . . . . 0.0 111.84 176.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.262 0.1 OUTLIER -128.26 9.88 6.22 Favored 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 116.12 1.896 . . . . 0.0 116.12 179.822 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.393 3.4 t30 52.56 33.54 13.69 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 129.859 3.264 . . . . 0.0 118.885 -173.7 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.5 p -78.81 -54.07 6.45 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.642 -0.661 . . . . 0.0 112.319 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.9 t -131.53 -171.68 2.66 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.179 1.792 . . . . 0.0 110.844 -176.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 92.5 mtm-85 57.45 -83.01 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 126.946 2.098 . . . . 0.0 113.109 -170.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.7 m -62.56 -30.05 71.03 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.522 1.529 . . . . 0.0 113.445 -171.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -68.5 -34.98 76.85 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 121.36 -0.837 . . . . 0.0 111.595 173.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 47.9 mtt -70.23 -34.24 72.64 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.152 0.981 . . . . 0.0 111.398 170.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.63 -41.65 99.14 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.175 0.59 . . . . 0.0 110.809 177.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -62.43 -43.12 99.58 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 118.881 -0.581 . . . . 0.0 111.373 169.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.26 -47.82 72.51 Favored Glycine 0 N--CA 1.474 1.214 0 C-N-CA 124.326 0.965 . . . . 0.0 114.439 175.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -70.42 -45.46 65.84 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 120.998 -1.296 . . . . 0.0 111.882 175.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.31 -40.11 93.34 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -176.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.6 ptmt -67.36 -25.55 66.04 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 119.54 1.064 . . . . 0.0 113.198 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.9 m -86.46 -56.52 3.39 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.572 1.549 . . . . 0.0 112.577 175.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 76.1 mt -81.47 -30.58 33.32 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.091 1.357 . . . . 0.0 112.188 -171.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -95.89 11.16 68.09 Favored Glycine 0 CA--C 1.524 0.631 0 C-N-CA 126.195 1.855 . . . . 0.0 114.39 175.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.74 113.67 1.05 Allowed 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.601 1.7 . . . . 0.0 112.475 -178.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.89 -19.75 11.19 Favored Glycine 0 CA--C 1.539 1.573 0 C-N-CA 125.01 1.291 . . . . 0.0 114.804 -176.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 1' ' ' MET . 28.8 mtpp -76.61 -38.76 54.24 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.702 1.201 . . . . 0.0 110.486 169.689 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.5 pp -144.75 171.53 6.13 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 125.05 1.34 . . . . 0.0 113.292 -178.034 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -125.23 144.6 50.38 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.3 1.44 . . . . 0.0 108.315 168.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -139.28 149.7 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 N-CA-C 115.531 1.678 . . . . 0.0 115.531 -169.223 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.9 m -139.5 150.68 45.42 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.54 1.536 . . . . 0.0 109.985 178.098 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.7 t -118.72 144.89 45.94 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.194 1.398 . . . . 0.0 111.965 175.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 18.4 t -152.54 154.24 35.04 Favored 'General case' 0 C--O 1.221 -0.437 0 C-N-CA 124.621 1.168 . . . . 0.0 112.714 -169.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -122.49 165.09 15.29 Favored Glycine 0 CA--C 1.524 0.62 0 O-C-N 120.83 -1.169 . . . . 0.0 111.163 169.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.0 mt -65.15 -38.28 90.08 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 119.958 1.879 . . . . 0.0 108.49 169.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -115.26 173.39 6.53 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.991 2.116 . . . . 0.0 109.537 169.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.6 p -147.6 138.98 23.74 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 120.985 -1.072 . . . . 0.0 112.438 -178.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 88.2 p -130.18 -72.85 0.56 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 122.981 0.513 . . . . 0.0 112.024 169.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.34 156.74 21.77 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 126.415 1.886 . . . . 0.0 111.5 -178.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.7 t -62.05 136.48 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.371 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 169.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -62.92 125.76 87.34 Favored Pre-proline 0 N--CA 1.467 0.42 0 CA-C-O 118.711 -0.661 . . . . 0.0 109.496 174.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -70.63 -23.95 26.25 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 CA-C-N 120.267 1.131 . . . . 0.0 111.827 -169.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 59.3 m -71.91 -26.24 62.23 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 121.292 -0.88 . . . . 0.0 111.908 173.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.01 -37.81 86.27 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 120.25 -1.531 . . . . 0.0 112.024 174.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.06 -48.17 82.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 172.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.48 -36.41 84.1 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -178.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.79 -28.66 60.82 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 124.469 1.108 . . . . 0.0 112.676 178.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 80.8 mmm -77.0 -30.52 55.95 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.27 0.941 . . . . 0.0 111.174 169.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -66.67 -22.31 66.09 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.167 -0.958 . . . . 0.0 113.087 173.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -64.09 -27.24 68.96 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 120.135 1.334 . . . . 0.0 112.679 173.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.7 m -103.85 10.51 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 125.391 1.476 . . . . 0.0 112.561 176.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.41 22.15 78.6 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.599 1.095 . . . . 0.0 115.133 177.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 68.9 mt -107.94 145.14 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 125.506 1.522 . . . . 0.0 109.383 178.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -113.81 129.37 56.59 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.45 0.7 . . . . 0.0 112.41 178.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.0 pt -120.5 13.0 6.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.79 1.236 . . . . 0.0 112.725 169.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.0 m -62.67 -27.6 69.35 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 120.6 -1.313 . . . . 0.0 113.325 -177.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.56 -1.74 77.87 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 124.918 1.246 . . . . 0.0 114.872 174.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -87.12 162.53 17.49 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 119.457 1.628 . . . . 0.0 111.284 175.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 23.1 p -143.2 167.87 21.1 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 128.719 2.808 . . . . 0.0 105.775 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.7 m -104.41 137.01 42.91 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.587 -0.696 . . . . 0.0 112.358 177.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -143.89 152.15 54.66 Favored Pre-proline 0 N--CA 1.479 1.013 0 C-N-CA 125.057 1.343 . . . . 0.0 113.031 -175.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -95.84 151.9 1.43 Allowed 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 123.605 2.87 . . . . 0.0 113.958 -169.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 8.2 tt -58.66 -30.66 42.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 126.102 1.761 . . . . 0.0 112.583 -178.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -60.98 -21.97 64.04 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 175.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -94.81 -15.0 24.11 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 179.03 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -97.47 173.82 6.98 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.998 1.319 . . . . 0.0 113.753 -169.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -127.08 88.89 2.88 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.057 1.343 . . . . 0.0 113.322 -169.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.51 -33.47 31.83 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -179.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -59.38 -25.73 64.51 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.994 1.317 . . . . 0.0 114.133 -177.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -100.84 7.53 43.66 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.196 0.998 . . . . 0.0 113.455 177.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -109.29 98.65 8.04 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.292 1.037 . . . . 0.0 108.442 173.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -55.87 -32.69 63.9 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 121.732 -0.605 . . . . 0.0 111.779 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 40.3 t -126.19 138.2 55.35 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 124.553 1.141 . . . . 0.0 110.806 173.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 51.9 t -125.31 136.64 60.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 124.319 1.048 . . . . 0.0 109.769 173.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 15.3 mm -120.41 139.99 45.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 C-N-CA 124.478 1.111 . . . . 0.0 109.814 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.6 t -106.01 134.91 48.38 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 118.676 0.671 . . . . 0.0 112.135 169.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.5 mp -134.23 48.67 2.31 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.99 1.716 . . . . 0.0 109.332 -176.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 7.1 m -120.34 -3.52 9.96 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 116.438 2.014 . . . . 0.0 116.438 -169.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 83.23 -179.93 52.62 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 124.24 0.924 . . . . 0.0 111.684 -168.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 81.7 m -68.72 -14.22 62.88 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 115.37 1.618 . . . . 0.0 115.37 -170.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -71.65 0.48 35.03 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 124.633 1.111 . . . . 0.0 115.675 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 38.6 t -133.59 137.83 52.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 125.245 1.418 . . . . 0.0 111.931 -169.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -137.56 -2.52 1.96 Allowed 'General case' 0 CA--C 1.552 1.048 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.5 mt 43.46 67.08 4.01 Favored Pre-proline 0 N--CA 1.483 1.186 0 C-N-CA 126.085 1.754 . . . . 0.0 114.71 -177.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -51.06 -28.8 25.91 Favored 'Trans proline' 0 CA--C 1.555 1.535 0 C-N-CA 123.63 2.887 . . . . 0.0 118.981 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -76.59 -160.63 0.12 Allowed 'Trans proline' 0 CA--C 1.549 1.266 0 C-N-CA 122.662 2.241 . . . . 0.0 114.569 -177.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -58.45 -8.07 1.09 Allowed 'General case' 0 N--CA 1.477 0.912 0 O-C-N 120.221 -1.55 . . . . 0.0 115.122 175.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -58.33 -15.95 12.43 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.678 1.591 . . . . 0.0 114.411 171.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.8 m -117.54 4.05 7.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 124.537 1.135 . . . . 0.0 114.038 174.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 43.4 p -98.11 6.03 47.98 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.663 1.185 . . . . 0.0 113.355 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -76.78 -175.99 3.67 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.04 1.336 . . . . 0.0 111.781 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -63.18 -41.05 99.14 Favored 'General case' 0 N--CA 1.48 1.033 0 O-C-N 120.736 -1.227 . . . . 0.0 112.381 -171.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 46.9 mt -140.53 140.48 33.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 125.512 1.525 . . . . 0.0 109.557 175.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -129.51 134.64 47.88 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.69 1.196 . . . . 0.0 109.703 168.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -135.2 155.85 49.98 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.657 1.183 . . . . 0.0 111.054 175.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -124.35 111.96 16.4 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 121.472 0.654 . . . . 0.0 111.792 173.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 43.4 m0 -105.9 85.76 2.27 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.859 1.664 . . . . 0.0 109.91 -173.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -84.77 118.66 24.59 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.949 -171.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 92.1 mt -139.32 172.72 12.41 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.576 1.95 . . . . 0.0 110.979 -175.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 22.9 mp0 -61.2 169.35 2.14 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.856 2.062 . . . . 0.0 112.81 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -117.23 91.1 35.95 Favored Pre-proline 0 CA--C 1.549 0.931 0 C-N-CA 125.837 1.655 . . . . 0.0 110.497 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_exo -66.78 -15.2 46.62 Favored 'Trans proline' 0 C--N 1.359 1.105 0 C-N-CA 124.386 3.391 . . . . 0.0 117.426 -169.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -57.44 110.87 0.94 Allowed 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 119.488 1.04 . . . . 0.0 112.269 -178.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 79.68 14.86 80.55 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 123.876 0.75 . . . . 0.0 113.748 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -90.48 -110.66 0.09 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.413 1.085 . . . . 0.0 110.172 177.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 74.4 m -155.16 157.52 37.54 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 127.22 2.208 . . . . 0.0 109.326 -175.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.447 HD22 ' H ' ' A' ' 109' ' ' LEU . 1.4 mm? -68.94 -27.48 65.78 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.446 -0.784 . . . . 0.0 111.854 -174.337 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -64.73 -34.22 77.82 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.76 0.824 . . . . 0.0 112.28 170.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 78.1 t -72.82 -39.52 59.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 O-C-N 121.05 -1.031 . . . . 0.0 110.282 174.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -58.6 -47.09 85.47 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 118.615 0.643 . . . . 0.0 111.41 170.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 61.2 mtp85 -63.69 -38.97 93.12 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.665 1.186 . . . . 0.0 112.073 178.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 51.8 m -61.26 -40.83 95.55 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.794 1.238 . . . . 0.0 111.775 174.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 41.9 t -68.26 -52.59 36.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 123.367 0.667 . . . . 0.0 111.567 171.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 48.7 ttp180 -52.69 -46.37 67.25 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.567 1.547 . . . . 0.0 112.633 -174.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -62.63 -37.46 94.81 Favored Glycine 0 N--CA 1.474 1.206 0 C-N-CA 123.469 0.557 . . . . 0.0 113.336 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -75.87 -43.82 43.69 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.821 -0.811 . . . . 0.0 111.092 177.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 85.8 t -56.43 -43.78 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 O-C-N 121.288 -0.882 . . . . 0.0 111.648 172.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -56.47 -56.06 25.96 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.904 0.881 . . . . 0.0 111.417 174.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.7 -37.38 87.4 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 118.351 -0.833 . . . . 0.0 111.788 -175.625 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -60.96 -44.43 97.33 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 119.218 0.917 . . . . 0.0 111.21 176.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 27.0 t -60.94 -49.72 83.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 CA-C-O 118.154 -0.927 . . . . 0.0 112.944 171.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -60.22 -35.59 75.78 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 120.537 1.517 . . . . 0.0 112.415 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.85 -24.96 60.94 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 177.553 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 48.0 tp -81.95 -50.0 9.64 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.487 1.115 . . . . 0.0 111.936 175.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 6.4 pt -65.01 -24.57 35.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-N 119.484 1.038 . . . . 0.0 113.17 -175.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.76 -19.93 61.95 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 173.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -88.63 -43.62 11.21 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.901 1.28 . . . . 0.0 113.13 176.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.281 1.7 pp -104.45 0.84 10.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 N-CA-C 116.965 2.209 . . . . 0.0 116.965 -169.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 79.1 p . . . . . 0 C--O 1.255 1.38 0 CA-C-N 120.069 1.304 . . . . 0.0 113.692 174.535 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.423 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 11.7 ttt . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 119.851 -0.119 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -130.46 165.61 22.28 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 125.697 1.599 . . . . 0.0 111.868 172.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -109.87 139.19 45.24 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.681 1.192 . . . . 0.0 111.251 -176.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.3 t -123.41 138.83 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.265 1.026 . . . . 0.0 109.974 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 7.8 tpp -129.7 135.53 48.6 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.09 0.956 . . . . 0.0 110.511 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -113.85 120.18 39.85 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.484 1.114 . . . . 0.0 112.305 -174.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -97.45 144.99 9.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 C-N-CA 126.44 1.896 . . . . 0.0 111.395 174.364 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 44.4 t -144.17 -169.91 3.23 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.959 2.103 . . . . 0.0 107.271 169.138 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -64.23 -69.44 0.28 Allowed 'General case' 0 N--CA 1.486 1.357 0 CA-C-N 121.199 1.818 . . . . 0.0 111.824 175.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.6 ptm85 -115.6 15.43 16.59 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 115.444 1.646 . . . . 0.0 115.444 -174.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 56.93 29.86 17.03 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 126.595 1.958 . . . . 0.0 113.794 -175.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.4 p -82.83 -46.2 13.34 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.27 1.428 . . . . 0.0 112.806 -175.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.4 t -140.39 177.68 7.83 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.484 1.514 . . . . 0.0 110.334 -176.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.2 mtm-85 58.47 -71.58 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 127.694 2.398 . . . . 0.0 114.319 -174.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.9 p -50.43 -39.7 48.17 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 126.21 1.804 . . . . 0.0 113.286 177.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -71.21 -37.53 72.08 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.794 0.838 . . . . 0.0 111.892 177.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 53.4 mtt -67.83 -34.76 77.35 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 120.974 -1.079 . . . . 0.0 111.73 174.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.57 -43.48 93.76 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.092 0.557 . . . . 0.0 111.536 176.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -60.65 -42.71 97.54 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.038 0.535 . . . . 0.0 110.381 169.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -47.16 -63.4 3.31 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 126.473 1.987 . . . . 0.0 114.03 171.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -65.48 -40.58 93.28 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 119.131 1.466 . . . . 0.0 112.671 -179.431 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.86 -39.12 87.45 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 -177.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 ptmt -61.21 -30.57 70.51 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 120.167 1.348 . . . . 0.0 113.025 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.7 m -91.75 -52.21 4.86 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.814 1.645 . . . . 0.0 112.312 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 89.1 mt -75.73 -31.11 59.48 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.406 0.683 . . . . 0.0 112.568 -175.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -99.34 11.54 61.68 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 126.399 1.952 . . . . 0.0 114.992 176.089 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.01 109.98 0.31 Allowed 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 119.049 1.424 . . . . 0.0 113.535 -173.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.87 -18.56 20.46 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 124.832 1.206 . . . . 0.0 115.008 175.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 1' ' ' MET . 17.2 ptmt -87.22 -26.68 23.4 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 118.11 0.955 . . . . 0.0 112.852 169.653 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 pp -133.91 171.53 17.8 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 123.763 0.825 . . . . 0.0 111.854 169.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.69 145.93 52.04 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.132 0.973 . . . . 0.0 109.389 168.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -140.29 150.62 21.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 -169.287 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.7 m -143.94 149.59 37.04 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.86 1.664 . . . . 0.0 108.927 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.0 p -124.93 151.98 44.71 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 120.844 -1.16 . . . . 0.0 112.332 169.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 17.1 p -155.19 -177.25 6.41 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.367 1.467 . . . . 0.0 111.263 -178.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -149.29 166.92 29.58 Favored Glycine 0 N--CA 1.466 0.696 0 O-C-N 120.771 -1.205 . . . . 0.0 112.088 169.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.04 -15.05 62.71 Favored 'General case' 0 N--CA 1.48 1.075 0 CA-C-N 118.927 1.363 . . . . 0.0 113.383 176.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -136.58 -179.73 5.86 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 127.163 2.185 . . . . 0.0 108.906 169.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.4 t -137.69 144.28 41.71 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 120.957 -1.089 . . . . 0.0 112.448 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.9 t -143.09 -104.56 0.13 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.223 1.409 . . . . 0.0 110.497 174.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.85 160.87 41.76 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.289 1.836 . . . . 0.0 111.465 173.788 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.4 t -63.23 139.07 21.86 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 171.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -67.5 124.87 90.24 Favored Pre-proline 0 N--CA 1.466 0.352 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 172.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.03 -25.03 32.35 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 CA-C-N 120.293 1.14 . . . . 0.0 112.363 -169.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 51.2 m -69.23 -26.92 65.04 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 121.291 -0.881 . . . . 0.0 111.994 174.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.84 -39.32 94.0 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 120.618 -1.301 . . . . 0.0 112.144 174.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mp -57.67 -48.59 83.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 172.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.15 -37.94 89.22 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -177.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 7.4 mmt -75.41 -28.38 59.4 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.116 0.966 . . . . 0.0 112.269 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 81.8 mmm -77.46 -30.11 53.06 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 119.213 0.915 . . . . 0.0 111.808 169.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -67.26 -25.16 65.94 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 120.998 -1.064 . . . . 0.0 112.745 174.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -60.64 -30.91 70.17 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 119.874 1.216 . . . . 0.0 112.827 173.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 30.4 m -99.08 8.32 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 125.211 1.404 . . . . 0.0 112.642 176.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.47 24.33 76.45 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 124.966 1.27 . . . . 0.0 114.907 177.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 75.5 mt -112.16 139.35 37.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 125.139 1.376 . . . . 0.0 110.278 -176.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -104.38 125.89 50.99 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 -171.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.8 pt -134.66 21.55 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 124.588 1.155 . . . . 0.0 112.456 169.095 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.3 t -78.07 -30.87 49.91 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 121.008 -1.058 . . . . 0.0 112.686 -176.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -83.54 13.98 43.81 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 125.015 1.293 . . . . 0.0 115.639 -178.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -126.96 164.09 22.25 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.631 1.715 . . . . 0.0 111.76 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 35.1 p -131.04 176.15 8.49 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 127.303 2.241 . . . . 0.0 107.485 -173.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.1 m -74.85 148.13 40.48 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 121.74 -0.6 . . . . 0.0 112.459 170.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -141.52 146.38 41.66 Favored Pre-proline 0 CA--C 1.551 0.997 0 C-N-CA 124.399 1.079 . . . . 0.0 113.073 170.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -88.39 149.01 6.46 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 123.869 3.046 . . . . 0.0 114.102 -174.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.8 tt -57.86 -35.86 53.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 127.008 2.123 . . . . 0.0 112.076 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.31 -21.99 66.6 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 -177.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.08 -13.85 43.1 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 176.288 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -99.29 171.45 7.97 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.148 1.379 . . . . 0.0 113.588 -170.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -124.6 85.98 2.49 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.203 1.401 . . . . 0.0 112.34 -169.612 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.54 -33.67 46.58 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -55.57 -27.04 46.82 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.557 1.543 . . . . 0.0 114.29 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -83.46 -31.76 26.38 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 175.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -80.3 102.93 9.83 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.729 0.812 . . . . 0.0 109.41 -171.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -49.31 -36.11 20.12 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.124 0.97 . . . . 0.0 111.762 175.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.1 t -130.23 136.1 59.38 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 C-N-CA 123.95 0.9 . . . . 0.0 110.795 177.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 56.0 t -121.19 137.19 55.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 123.929 0.891 . . . . 0.0 110.128 171.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 29.7 mm -122.8 136.38 59.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 124.604 1.161 . . . . 0.0 109.514 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.2 t -105.78 132.65 51.65 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 118.633 0.651 . . . . 0.0 110.924 169.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.0 mp -126.35 49.53 2.0 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 126.206 1.802 . . . . 0.0 107.867 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 21.0 p -83.45 -33.39 25.66 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 116.587 2.069 . . . . 0.0 116.587 -168.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.19 43.77 15.51 Favored Glycine 0 CA--C 1.537 1.421 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -169.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 68.2 m 59.45 -179.45 0.08 Allowed 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 127.21 2.204 . . . . 0.0 113.291 -169.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 80.13 4.72 89.79 Favored Glycine 0 CA--C 1.54 1.626 0 O-C-N 120.911 -1.118 . . . . 0.0 115.356 -177.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 61.5 t -141.64 136.48 31.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 126.184 1.793 . . . . 0.0 109.431 -175.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -137.29 -0.26 2.24 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 115.572 1.693 . . . . 0.0 115.572 178.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 40.4 mt 44.07 65.78 5.54 Favored Pre-proline 0 CA--C 1.555 1.147 0 C-N-CA 126.346 1.858 . . . . 0.0 115.12 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -51.03 -29.11 26.64 Favored 'Trans proline' 0 CA--C 1.557 1.644 0 C-N-CA 123.418 2.745 . . . . 0.0 119.174 179.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -77.07 -158.66 0.09 OUTLIER 'Trans proline' 0 CA--C 1.55 1.296 0 C-N-CA 122.669 2.246 . . . . 0.0 115.001 -176.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -53.02 -13.28 0.43 Allowed 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 126.101 1.76 . . . . 0.0 115.356 172.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 86.2 m95 -60.08 -15.93 27.47 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.909 1.684 . . . . 0.0 114.893 173.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.6 m -118.72 3.41 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 124.459 1.104 . . . . 0.0 113.907 173.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 43.4 p -94.07 2.18 56.06 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.109 0.964 . . . . 0.0 113.36 177.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 71.7 mm-40 -74.97 175.87 7.71 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.765 1.226 . . . . 0.0 112.421 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -65.0 -36.45 84.46 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -169.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 42.9 mt -137.31 135.54 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 123.889 0.875 . . . . 0.0 110.043 169.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -126.58 134.8 50.73 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.308 1.043 . . . . 0.0 109.198 168.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -134.81 153.79 51.89 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.149 0.979 . . . . 0.0 111.394 175.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -124.78 114.85 19.8 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.981 0.912 . . . . 0.0 111.868 173.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.458 ' CE2' ' HB3' ' A' ' 122' ' ' ARG . 36.9 m0 -104.07 90.12 3.49 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 125.757 1.623 . . . . 0.0 109.688 -174.65 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -82.96 101.55 11.14 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 122.98 0.512 . . . . 0.0 110.237 -175.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 63.3 mt -116.83 168.99 9.73 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.503 1.521 . . . . 0.0 110.47 177.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -71.27 173.49 7.68 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 122.085 0.945 . . . . 0.0 112.1 173.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -114.49 100.67 53.43 Favored Pre-proline 0 CA--C 1.552 1.046 0 C-N-CA 126.571 1.949 . . . . 0.0 111.854 -170.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_exo -70.34 -14.22 34.04 Favored 'Trans proline' 0 C--N 1.357 0.995 0 C-N-CA 123.466 2.777 . . . . 0.0 117.38 -170.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -55.86 113.74 1.62 Allowed 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.465 1.03 . . . . 0.0 112.524 -177.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.06 15.6 79.81 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 123.975 0.797 . . . . 0.0 114.404 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -89.06 -97.26 0.1 Allowed 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 118.119 0.96 . . . . 0.0 110.877 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.7 t -160.57 164.96 31.56 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.843 1.657 . . . . 0.0 109.737 171.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 59.5 mt -58.8 -37.9 77.37 Favored 'General case' 0 C--O 1.221 -0.402 0 C-N-CA 123.86 0.864 . . . . 0.0 112.21 175.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -58.94 -35.43 73.12 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.614 -0.679 . . . . 0.0 112.549 174.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 94.0 t -75.22 -38.13 40.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 O-C-N 121.388 -0.82 . . . . 0.0 111.102 175.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -60.44 -45.88 92.07 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.883 0.765 . . . . 0.0 111.411 170.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -62.83 -39.77 95.36 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.689 1.195 . . . . 0.0 111.934 177.095 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 53.0 m -62.33 -39.69 93.9 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.155 0.982 . . . . 0.0 111.707 175.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 40.3 t -70.33 -50.33 47.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 O-C-N 121.667 -0.646 . . . . 0.0 111.378 172.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 57.0 ttp180 -49.58 -47.36 49.45 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 126.126 1.77 . . . . 0.0 112.157 -179.016 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -59.6 -46.55 93.8 Favored Glycine 0 N--CA 1.471 1.033 0 C-N-CA 123.639 0.637 . . . . 0.0 112.961 178.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -69.74 -37.76 76.6 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 121.149 -1.206 . . . . 0.0 111.929 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 49.1 t -64.98 -42.9 95.95 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 O-C-N 120.973 -1.079 . . . . 0.0 111.51 174.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -53.49 -55.37 25.92 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.185 0.994 . . . . 0.0 109.783 170.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -54.28 -52.2 62.2 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.543 0.737 . . . . 0.0 112.202 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.458 ' HB3' ' CE2' ' A' ' 99' ' ' TRP . 26.1 mmm180 -63.68 -30.81 71.86 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 119.668 -0.813 . . . . 0.0 111.572 -175.614 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 22.0 t -70.89 -55.22 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 169.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -68.24 -23.69 64.83 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 119.878 1.217 . . . . 0.0 113.315 -173.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.24 -27.45 38.71 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 171.688 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 42.2 tp -76.9 -48.18 19.01 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.58 1.152 . . . . 0.0 112.341 175.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 11.0 pt -61.82 -29.76 46.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 CA-C-N 119.411 1.005 . . . . 0.0 112.658 -173.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.5 -21.53 65.5 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 175.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -82.09 -37.95 25.59 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.487 1.115 . . . . 0.0 112.906 174.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 1.9 pp -109.47 -5.34 10.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 N-CA-C 116.662 2.097 . . . . 0.0 116.662 -169.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.6 m . . . . . 0 C--O 1.253 1.266 0 CA-C-N 120.106 1.321 . . . . 0.0 112.819 177.047 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.412 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 12.0 ttt . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 119.716 -0.183 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -130.5 163.82 26.17 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 125.89 1.676 . . . . 0.0 112.076 173.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -105.41 137.43 43.24 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.43 1.092 . . . . 0.0 111.115 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.6 t -121.64 139.18 49.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 124.49 1.116 . . . . 0.0 109.972 177.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.8 tpp -130.37 133.11 46.15 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 124.104 0.961 . . . . 0.0 109.807 -178.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -108.05 137.49 45.95 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.241 1.016 . . . . 0.0 111.141 -175.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.3 t -116.19 135.35 56.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 126.711 2.004 . . . . 0.0 110.141 177.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -131.88 177.34 7.61 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.564 1.546 . . . . 0.0 110.785 169.504 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -49.74 52.82 Favored 'General case' 0 N--CA 1.485 1.307 0 O-C-N 120.936 -1.102 . . . . 0.0 112.867 -178.095 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.283 0.0 OUTLIER -122.39 14.33 10.36 Favored 'General case' 0 N--CA 1.5 2.056 0 N-CA-C 116.048 1.87 . . . . 0.0 116.048 173.505 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 48.03 38.71 9.96 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 128.121 2.568 . . . . 0.0 115.633 -177.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.8 p -95.96 -32.54 12.55 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 114.781 1.4 . . . . 0.0 114.781 -176.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.1 t -138.28 -156.12 0.66 Allowed 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.527 1.531 . . . . 0.0 109.584 -176.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 45.17 -86.46 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 127.683 2.393 . . . . 0.0 114.138 172.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 m -51.51 -33.85 33.54 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 126.922 2.089 . . . . 0.0 113.809 174.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -70.19 -38.17 75.28 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.608 -0.683 . . . . 0.0 111.929 175.106 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 53.0 mtt -68.42 -32.27 72.19 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.972 0.909 . . . . 0.0 111.776 171.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.8 -40.25 96.2 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.334 0.654 . . . . 0.0 111.317 178.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -62.95 -40.94 99.2 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 119.122 -0.466 . . . . 0.0 110.892 169.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.43 -47.69 86.22 Favored Glycine 0 N--CA 1.476 1.331 0 C-N-CA 124.773 1.178 . . . . 0.0 114.532 175.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -71.59 -44.64 64.1 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 120.764 -1.433 . . . . 0.0 112.023 175.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.93 -40.08 94.5 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 118.547 -0.74 . . . . 0.0 112.895 -178.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.8 ptmm? -63.71 -27.07 68.96 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-N 120.008 1.276 . . . . 0.0 113.295 178.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.5 m -89.18 -51.0 5.81 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.597 1.559 . . . . 0.0 112.483 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 76.7 mt -85.07 -29.06 25.22 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.921 1.289 . . . . 0.0 112.141 -171.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -99.92 13.45 60.61 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 126.457 1.979 . . . . 0.0 114.255 172.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.5 110.37 0.33 Allowed 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.007 1.404 . . . . 0.0 113.482 -173.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.49 -17.43 24.75 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 124.972 1.272 . . . . 0.0 114.812 176.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 1' ' ' MET . 17.7 ptmt -88.45 -25.33 22.68 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 118.274 1.037 . . . . 0.0 112.803 169.515 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 pp -133.91 170.61 19.45 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 C-N-CA 123.727 0.811 . . . . 0.0 112.093 169.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -129.51 146.5 51.33 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.358 1.063 . . . . 0.0 109.54 168.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -139.99 150.34 21.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 N-CA-C 115.469 1.655 . . . . 0.0 115.469 -169.434 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.4 m -140.74 148.33 40.54 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.788 1.635 . . . . 0.0 110.002 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.2 t -118.43 142.1 47.89 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.716 1.206 . . . . 0.0 112.78 173.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 15.5 p -153.67 -177.27 6.26 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.351 1.46 . . . . 0.0 112.453 177.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -154.77 167.01 32.56 Favored Glycine 0 N--CA 1.467 0.75 0 O-C-N 120.114 -1.616 . . . . 0.0 112.72 170.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.519 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.7 OUTLIER -65.39 -16.97 64.16 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 118.68 1.24 . . . . 0.0 112.758 174.467 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -138.46 169.27 18.09 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.733 2.013 . . . . 0.0 109.171 169.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.0 t -131.06 148.73 52.78 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.974 1.309 . . . . 0.0 111.663 179.122 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.9 t -140.46 -81.29 0.26 Allowed 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.006 0.922 . . . . 0.0 111.701 173.321 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.64 162.05 21.24 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 127.131 2.172 . . . . 0.0 109.856 171.282 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.4 t -65.13 137.0 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 CA-C-N 119.995 1.27 . . . . 0.0 108.496 169.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 -68.94 124.47 90.38 Favored Pre-proline 0 N--CA 1.465 0.281 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 173.059 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -67.69 -24.64 40.94 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 CA-C-N 120.452 1.197 . . . . 0.0 112.164 -169.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 40.9 m -70.7 -29.17 65.39 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.622 -0.674 . . . . 0.0 112.175 173.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.96 -45.32 93.06 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 120.75 -1.219 . . . . 0.0 111.488 174.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.3 mt -59.92 -43.0 91.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 123.994 0.918 . . . . 0.0 110.967 174.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.96 -42.94 99.97 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 118.547 0.612 . . . . 0.0 111.371 177.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 4.9 mmt -69.08 -25.62 64.52 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.393 1.077 . . . . 0.0 112.749 -179.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 82.8 mmm -79.52 -36.48 38.44 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 118.902 0.774 . . . . 0.0 111.411 169.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -67.54 -27.03 66.61 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.061 -1.025 . . . . 0.0 112.532 175.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -62.95 -19.99 64.8 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.262 1.025 . . . . 0.0 113.321 171.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 30.0 m -109.82 14.93 8.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 125.288 1.435 . . . . 0.0 112.632 170.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.87 16.75 78.18 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 125.091 1.329 . . . . 0.0 115.204 175.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.1 mt -101.96 125.32 56.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 C-N-CA 124.954 1.302 . . . . 0.0 109.666 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -95.16 123.54 38.71 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 121.018 0.437 . . . . 0.0 112.143 -178.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.5 pt -126.65 15.91 3.73 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 C-N-CA 125.586 1.554 . . . . 0.0 112.232 169.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.8 m -62.15 -26.11 68.13 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 120.812 -1.18 . . . . 0.0 113.563 -170.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -82.5 2.21 85.89 Favored Glycine 0 CA--C 1.539 1.549 0 C-N-CA 125.044 1.307 . . . . 0.0 115.25 175.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -73.38 154.54 40.01 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 119.88 1.84 . . . . 0.0 111.736 177.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 25.5 p -136.59 162.31 33.47 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 127.855 2.462 . . . . 0.0 106.991 169.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 77.2 p -87.52 146.82 25.63 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.258 -0.901 . . . . 0.0 112.315 172.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -143.95 146.82 35.75 Favored Pre-proline 0 N--CA 1.479 0.988 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -86.39 147.12 8.68 Favored 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 123.723 2.948 . . . . 0.0 113.894 -175.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.6 tt -56.98 -34.0 43.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 127.022 2.129 . . . . 0.0 112.075 178.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -59.7 -25.37 64.74 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.924 1.29 . . . . 0.0 114.068 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.32 -12.4 40.65 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 178.723 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -99.01 171.36 8.09 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.887 1.275 . . . . 0.0 114.028 -169.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -122.27 85.48 2.42 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.179 1.392 . . . . 0.0 113.224 -169.628 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.62 -33.63 34.0 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -57.55 -28.11 63.25 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.243 1.417 . . . . 0.0 114.244 -178.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -86.46 -32.62 20.73 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 177.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -74.54 110.72 9.06 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 -176.044 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -53.39 -37.27 62.32 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 121.795 -0.566 . . . . 0.0 111.02 174.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.5 t -133.16 138.31 51.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 C-N-CA 124.334 1.054 . . . . 0.0 110.192 -175.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 45.9 t -124.73 138.3 54.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.127 0.971 . . . . 0.0 109.995 173.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 23.6 mm -129.18 125.84 63.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 124.277 1.031 . . . . 0.0 109.955 -174.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.9 t -92.09 141.74 28.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.402 0.62 . . . . 0.0 109.509 168.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.3 mp -129.06 39.41 3.78 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.689 1.196 . . . . 0.0 109.117 172.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 77.9 m -98.63 -37.65 9.43 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 115.253 1.575 . . . . 0.0 115.253 -169.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 93.9 -158.97 23.51 Favored Glycine 0 CA--C 1.539 1.536 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 -168.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 28.0 p -65.84 162.65 18.47 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-O 121.824 0.821 . . . . 0.0 113.208 174.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 83.77 1.72 89.89 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 124.43 1.014 . . . . 0.0 115.069 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 60.7 t -134.93 134.17 53.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 125.813 1.645 . . . . 0.0 109.941 -179.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -141.29 -3.29 1.2 Allowed 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 116.057 1.873 . . . . 0.0 116.057 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 43.3 mt 44.52 59.82 13.04 Favored Pre-proline 0 CA--C 1.553 1.083 0 C-N-CA 125.995 1.718 . . . . 0.0 114.756 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -58.65 -17.79 37.16 Favored 'Trans proline' 0 CA--C 1.557 1.627 0 N-CA-C 118.784 2.571 . . . . 0.0 118.784 -177.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_exo -76.01 -159.76 0.1 OUTLIER 'Trans proline' 0 C--N 1.362 1.256 0 CA-C-N 124.044 2.48 . . . . 0.0 113.864 176.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -59.04 -7.73 1.2 Allowed 'General case' 0 N--CA 1.479 0.982 0 O-C-N 120.064 -1.647 . . . . 0.0 115.146 174.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -60.32 -15.41 25.19 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.365 1.466 . . . . 0.0 114.524 172.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 34.7 m -117.84 3.2 7.34 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 173.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 43.8 p -96.15 4.03 52.79 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.181 0.992 . . . . 0.0 113.21 178.002 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -75.09 -179.37 4.31 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.286 1.034 . . . . 0.0 112.029 177.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -63.34 -41.36 98.87 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 121.358 -0.839 . . . . 0.0 112.827 -169.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 44.7 mt -136.98 139.33 44.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 124.82 1.248 . . . . 0.0 109.779 171.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -127.73 135.52 50.27 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.469 1.108 . . . . 0.0 110.243 168.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -134.46 155.11 50.92 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.746 1.218 . . . . 0.0 111.693 176.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -132.79 94.29 3.36 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.51 1.124 . . . . 0.0 109.881 175.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 28.3 m95 -91.0 100.92 13.7 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.546 0.738 . . . . 0.0 109.534 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -85.15 113.28 21.42 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.281 0.632 . . . . 0.0 110.084 -174.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 66.7 mt -121.23 170.25 9.77 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.506 1.522 . . . . 0.0 112.277 -174.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 25.2 mp0 -64.65 164.55 11.78 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.08 1.752 . . . . 0.0 111.366 172.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -113.66 99.89 50.85 Favored Pre-proline 0 CA--C 1.547 0.853 0 C-N-CA 125.295 1.438 . . . . 0.0 111.474 -178.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -74.23 -15.02 23.0 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 123.59 2.86 . . . . 0.0 116.46 -173.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -59.8 107.92 0.68 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.047 0.939 . . . . 0.0 111.514 -175.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.16 13.14 74.91 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 124.071 0.843 . . . . 0.0 114.831 -177.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -91.93 -105.74 0.11 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.726 1.21 . . . . 0.0 111.054 178.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.1 t -158.69 167.8 28.55 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.802 1.641 . . . . 0.0 110.281 173.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 81.6 mt -59.04 -35.55 73.51 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.494 1.118 . . . . 0.0 112.851 178.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -59.67 -36.25 76.06 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.529 0.732 . . . . 0.0 111.958 173.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 91.4 t -78.32 -35.39 19.49 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 O-C-N 122.068 -0.395 . . . . 0.0 110.654 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -62.43 -44.32 96.69 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.782 -0.574 . . . . 0.0 110.92 169.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -60.37 -41.54 93.93 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.088 1.355 . . . . 0.0 112.001 175.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 52.6 m -60.51 -43.41 97.1 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.463 1.105 . . . . 0.0 111.575 176.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.46 -48.53 66.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 O-C-N 121.189 -0.944 . . . . 0.0 112.358 172.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 -52.32 -47.52 65.94 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 126.061 1.744 . . . . 0.0 112.15 -178.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -61.87 -37.52 94.49 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 123.745 0.688 . . . . 0.0 113.305 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -71.85 -48.63 44.69 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 117.83 0.815 . . . . 0.0 111.077 175.002 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 60.4 t -53.24 -44.38 52.96 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.309 0 CA-C-N 119.679 1.127 . . . . 0.0 111.224 174.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -56.94 -54.92 41.19 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.794 0.838 . . . . 0.0 111.214 174.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -65.35 -37.51 87.27 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 118.753 -0.641 . . . . 0.0 112.711 -175.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -63.93 -44.13 93.8 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.473 1.033 . . . . 0.0 110.8 176.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 12.2 t -61.52 -49.76 83.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-O 117.676 -1.154 . . . . 0.0 113.049 172.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -58.58 -36.29 73.74 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 121.05 1.75 . . . . 0.0 112.546 178.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.7 -20.56 59.81 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 178.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 54.8 tp -89.56 -47.94 7.64 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.3 1.44 . . . . 0.0 111.679 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 11.0 pt -64.46 -27.96 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 CA-C-N 119.476 1.035 . . . . 0.0 112.866 -177.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.19 -18.1 63.87 Favored 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 174.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -88.71 -40.1 13.5 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.851 1.26 . . . . 0.0 112.983 175.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.256 1.6 pp -106.27 -1.41 9.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 N-CA-C 116.813 2.153 . . . . 0.0 116.813 -169.736 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 66.0 p . . . . . 0 C--O 1.256 1.405 0 CA-C-N 120.042 1.292 . . . . 0.0 113.866 176.403 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.474 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 19.8 ttt . . . . . 0 N--CA 1.489 1.477 0 CA-C-O 119.386 -0.34 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -128.91 166.42 19.15 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 125.153 1.381 . . . . 0.0 112.105 173.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -105.28 137.89 42.35 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.633 1.173 . . . . 0.0 111.721 -178.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.6 t -124.95 139.95 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 124.82 1.248 . . . . 0.0 110.053 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.0 tpp -133.09 133.66 43.26 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.86 0.864 . . . . 0.0 109.86 -178.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -104.03 139.59 38.93 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.485 0.714 . . . . 0.0 111.584 -176.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.4 t -120.55 128.69 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 126.805 2.042 . . . . 0.0 110.602 174.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.6 t -127.13 165.65 19.14 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.406 1.483 . . . . 0.0 108.305 169.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -34.67 78.21 Favored 'General case' 0 N--CA 1.485 1.292 0 O-C-N 120.776 -1.202 . . . . 0.0 112.788 -172.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.274 0.2 OUTLIER -133.29 9.28 4.04 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 117.439 2.385 . . . . 0.0 117.439 173.401 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 51.64 31.5 7.92 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 127.255 2.222 . . . . 0.0 116.427 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.0 p -87.42 -35.87 18.05 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.413 1.485 . . . . 0.0 112.873 174.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.3 p -144.75 174.76 10.71 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.443 1.897 . . . . 0.0 110.941 -169.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.1 mtm-85 56.29 -76.41 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 127.065 2.146 . . . . 0.0 114.399 -173.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.7 p -45.63 -42.9 11.87 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 126.82 2.048 . . . . 0.0 114.367 176.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -70.46 -36.07 73.69 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.022 0.529 . . . . 0.0 111.135 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.4 mtp -74.26 -32.64 63.01 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.592 1.157 . . . . 0.0 111.632 176.169 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.29 -44.13 95.92 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.283 1.033 . . . . 0.0 111.457 171.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -61.26 -42.81 99.27 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.242 0.617 . . . . 0.0 111.077 170.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.94 -49.12 60.05 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 125.6 1.572 . . . . 0.0 114.841 172.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -70.42 -46.38 64.06 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 120.725 -1.456 . . . . 0.0 111.616 176.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.47 -40.38 96.95 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -176.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -64.12 -26.42 68.53 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 119.776 1.171 . . . . 0.0 113.113 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.2 m -89.82 -52.56 4.92 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.823 1.649 . . . . 0.0 112.062 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 74.1 mt -82.24 -31.58 30.14 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.825 1.25 . . . . 0.0 112.008 -172.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -96.42 11.51 66.92 Favored Glycine 0 CA--C 1.526 0.729 0 C-N-CA 126.131 1.824 . . . . 0.0 114.151 175.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.72 113.05 0.81 Allowed 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 119.815 1.807 . . . . 0.0 112.727 -179.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.12 -17.38 17.84 Favored Glycine 0 CA--C 1.538 1.47 0 C-N-CA 125.131 1.348 . . . . 0.0 114.953 -176.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.474 ' O ' ' HA ' ' A' ' 1' ' ' MET . 29.4 mtpp -78.8 -38.2 38.87 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.165 1.386 . . . . 0.0 110.356 169.657 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.4 pp -144.42 169.51 9.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 125.179 1.392 . . . . 0.0 112.89 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -123.72 142.6 50.93 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.95 1.3 . . . . 0.0 108.142 168.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -135.81 151.63 29.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 N-CA-C 115.216 1.561 . . . . 0.0 115.216 -169.411 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.6 m -140.72 147.95 39.98 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.653 1.581 . . . . 0.0 109.316 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.3 t -115.55 140.06 49.51 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.14 0.976 . . . . 0.0 112.312 173.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 14.3 p -153.12 -178.27 6.83 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.593 1.157 . . . . 0.0 112.644 175.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -153.92 166.09 31.84 Favored Glycine 0 N--CA 1.466 0.686 0 O-C-N 120.243 -1.536 . . . . 0.0 112.59 169.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.546 HD23 ' H ' ' A' ' 37' ' ' LEU 0.26 0.6 OUTLIER -66.85 -11.23 54.94 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 118.257 1.028 . . . . 0.0 113.481 176.874 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -142.52 165.85 26.27 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 127.621 2.368 . . . . 0.0 108.113 168.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.2 p -125.44 118.35 25.65 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.121 0.968 . . . . 0.0 111.953 176.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.5 t -99.71 -125.23 0.16 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.628 1.571 . . . . 0.0 109.43 175.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.0 146.12 48.73 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 127.574 2.349 . . . . 0.0 109.543 170.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -58.79 133.43 23.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 CA-C-N 119.049 0.841 . . . . 0.0 109.544 169.424 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -74.45 128.85 85.14 Favored Pre-proline 0 CA--C 1.534 0.365 0 CA-C-O 119.077 -0.487 . . . . 0.0 110.357 -176.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -72.33 -28.03 15.6 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 CA-C-N 120.144 1.087 . . . . 0.0 111.998 -171.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.0 m -72.9 -27.71 62.04 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.49 -0.756 . . . . 0.0 111.64 175.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.73 -48.41 79.69 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 121.0 -1.062 . . . . 0.0 111.703 173.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.6 mt -57.8 -46.84 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 123.508 0.723 . . . . 0.0 109.944 175.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.2 -37.27 79.73 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 9.0 mmt -77.56 -28.61 51.85 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.502 1.121 . . . . 0.0 111.876 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 84.0 mmm -75.73 -29.68 58.99 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.989 0.813 . . . . 0.0 111.797 169.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -68.21 -24.22 64.91 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.066 -1.021 . . . . 0.0 112.752 174.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -62.41 -28.31 69.7 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.727 1.149 . . . . 0.0 112.785 173.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.0 m -102.15 10.15 8.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 125.663 1.585 . . . . 0.0 112.54 176.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.59 22.56 78.3 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 125.084 1.326 . . . . 0.0 115.198 176.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 65.9 mt -108.85 138.23 36.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 125.201 1.401 . . . . 0.0 110.555 -176.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -107.0 125.0 50.43 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.41 1.084 . . . . 0.0 113.056 -176.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.3 pt -130.54 23.57 1.84 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.931 0 C-N-CA 125.687 1.595 . . . . 0.0 112.125 169.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.3 t -76.5 -28.66 56.52 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 120.526 -1.359 . . . . 0.0 112.731 -178.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -79.01 8.89 41.71 Favored Glycine 0 CA--C 1.538 1.469 0 C-N-CA 125.396 1.474 . . . . 0.0 115.97 -178.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -134.24 160.4 37.97 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.281 1.433 . . . . 0.0 111.137 -178.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.2 t -142.92 -172.97 3.77 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 123.545 0.738 . . . . 0.0 109.67 171.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 25.2 m -61.4 134.5 56.97 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 124.477 1.111 . . . . 0.0 113.162 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -137.47 145.35 48.97 Favored Pre-proline 0 CA--C 1.549 0.925 0 C-N-CA 124.185 0.994 . . . . 0.0 113.23 171.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -86.92 144.75 7.4 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 123.368 2.712 . . . . 0.0 113.998 -170.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 11.1 tt -54.72 -34.54 30.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 127.475 2.31 . . . . 0.0 112.019 178.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -63.82 -23.19 67.26 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.545 1.138 . . . . 0.0 113.955 -177.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.83 -13.28 39.69 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 177.43 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -98.1 171.47 8.22 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.119 1.368 . . . . 0.0 113.55 -170.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -122.86 83.9 2.19 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.256 1.422 . . . . 0.0 113.076 -169.468 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.89 -28.12 55.17 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 -177.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -58.38 -31.51 67.72 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.462 1.505 . . . . 0.0 113.832 178.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -86.02 -33.44 21.04 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -70.02 114.62 8.37 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -60.61 -32.12 71.27 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.744 -0.597 . . . . 0.0 111.084 176.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 93.6 t -135.73 140.17 44.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 125.407 1.483 . . . . 0.0 110.361 -176.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 43.0 t -128.76 136.18 60.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.311 1.044 . . . . 0.0 110.215 176.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 31.5 mm -127.95 113.46 30.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 C-N-CA 123.915 0.886 . . . . 0.0 110.033 -170.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 21.2 t -84.02 145.89 28.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.452 0.644 . . . . 0.0 109.927 169.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 mp -134.06 44.85 2.68 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.316 1.446 . . . . 0.0 108.733 172.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 86.4 m -106.25 -27.67 10.89 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 115.498 1.666 . . . . 0.0 115.498 -169.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.87 -165.34 49.26 Favored Glycine 0 CA--C 1.537 1.44 0 CA-C-N 118.775 0.716 . . . . 0.0 111.809 -169.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 76.7 m -60.17 152.06 25.48 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.955 0.902 . . . . 0.0 112.807 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.58 -0.31 77.09 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 124.531 1.063 . . . . 0.0 115.259 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 58.1 t -132.36 121.8 46.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.218 1.407 . . . . 0.0 110.145 177.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -131.46 -0.77 3.96 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 114.887 1.44 . . . . 0.0 114.887 -177.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.443 HD13 ' HB3' ' A' ' 90' ' ' TRP . 44.8 mt 42.87 64.5 6.26 Favored Pre-proline 0 N--CA 1.481 1.118 0 C-N-CA 126.207 1.803 . . . . 0.0 114.767 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -50.71 -27.95 21.38 Favored 'Trans proline' 0 CA--C 1.556 1.609 0 C-N-CA 123.504 2.803 . . . . 0.0 119.314 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -76.51 -156.87 0.06 OUTLIER 'Trans proline' 0 CA--C 1.547 1.126 0 C-N-CA 122.72 2.28 . . . . 0.0 114.927 -177.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -55.39 -3.7 0.07 Allowed 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 126.302 1.841 . . . . 0.0 115.237 169.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.443 ' HB3' HD13 ' A' ' 86' ' ' LEU . 91.5 m95 -76.33 5.1 7.57 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.672 1.989 . . . . 0.0 115.271 174.02 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 34.6 m -134.52 11.77 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 124.94 1.296 . . . . 0.0 113.446 170.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 82.4 p -97.91 9.95 41.47 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 125.013 1.325 . . . . 0.0 112.851 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 19.6 mp0 -59.44 174.06 0.46 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 129.008 2.923 . . . . 0.0 113.811 177.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -68.42 -40.86 81.07 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.342 169.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 36.1 mt -136.29 138.01 47.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 125.12 1.368 . . . . 0.0 109.991 171.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -125.53 136.33 53.21 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.489 1.116 . . . . 0.0 109.116 168.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -130.34 158.22 40.41 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.237 1.015 . . . . 0.0 112.073 177.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -136.13 92.19 2.76 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.621 1.169 . . . . 0.0 109.719 171.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 50.5 m95 -88.04 97.51 11.01 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.611 0.72 . . . . 0.0 110.156 -178.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -80.44 123.79 28.35 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.389 0.676 . . . . 0.0 110.738 -172.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 77.0 mt -142.54 168.81 18.85 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.18 1.792 . . . . 0.0 110.4 -178.057 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -73.42 178.14 4.79 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 122.249 1.023 . . . . 0.0 112.677 175.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -119.57 98.14 49.99 Favored Pre-proline 0 CA--C 1.545 0.775 0 C-N-CA 124.607 1.163 . . . . 0.0 113.249 -169.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -71.18 -15.51 31.86 Favored 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 123.968 3.112 . . . . 0.0 116.904 -172.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -56.61 100.77 0.05 OUTLIER 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.797 1.639 . . . . 0.0 111.512 -177.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 86.14 14.27 67.07 Favored Glycine 0 CA--C 1.54 1.628 0 C-N-CA 124.468 1.033 . . . . 0.0 115.609 -177.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 -90.05 -103.56 0.09 Allowed 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 118.897 1.349 . . . . 0.0 111.782 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 60.7 p -154.35 163.78 39.63 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 126.282 1.833 . . . . 0.0 110.633 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 49.6 mt -63.07 -37.27 86.54 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.497 -0.752 . . . . 0.0 111.723 177.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -59.96 -39.48 85.77 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.703 -0.623 . . . . 0.0 112.115 174.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 74.9 t -70.98 -38.29 71.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 O-C-N 121.252 -0.905 . . . . 0.0 111.378 174.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -60.58 -47.38 86.45 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 119.762 1.165 . . . . 0.0 111.586 172.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -61.85 -38.82 89.67 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.631 1.173 . . . . 0.0 111.764 177.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 58.2 m -62.46 -38.84 91.35 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.186 0.994 . . . . 0.0 111.888 176.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 42.0 t -75.02 -46.2 40.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 O-C-N 121.588 -0.695 . . . . 0.0 111.577 174.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -52.07 -49.13 64.13 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 126.095 1.758 . . . . 0.0 112.171 -177.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -61.26 -35.22 90.59 Favored Glycine 0 N--CA 1.474 1.225 0 C-N-CA 123.466 0.555 . . . . 0.0 113.4 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -78.0 -46.58 20.61 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 121.934 -0.745 . . . . 0.0 111.482 177.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 66.1 t -54.43 -41.64 54.64 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 O-C-N 121.146 -0.971 . . . . 0.0 111.152 173.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 36.1 tttm -58.04 -57.12 14.22 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.483 1.113 . . . . 0.0 111.703 172.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -64.5 -35.82 82.18 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 118.898 -0.572 . . . . 0.0 112.154 -174.205 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -63.34 -42.24 98.92 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 119.161 0.892 . . . . 0.0 110.1 177.055 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 10.0 t -64.01 -49.03 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-O 117.564 -1.208 . . . . 0.0 113.449 171.244 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -58.61 -36.17 73.61 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 121.294 1.861 . . . . 0.0 112.824 177.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.81 -26.01 60.4 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 112.762 0.652 . . . . 0.0 112.762 178.579 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 53.2 tp -81.34 -49.04 11.18 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 124.894 1.278 . . . . 0.0 111.649 178.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.6 pt -64.66 -27.56 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-N 119.231 0.923 . . . . 0.0 112.488 -175.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.03 -21.83 65.0 Favored 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 174.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -85.02 -40.52 16.77 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.63 1.172 . . . . 0.0 113.169 176.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.282 1.9 pp -108.35 4.82 9.56 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 N-CA-C 116.224 1.935 . . . . 0.0 116.224 -169.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 C--O 1.253 1.238 0 C-N-CA 124.415 1.086 . . . . 0.0 111.841 169.752 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.462 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 56.6 ttm . . . . . 0 N--CA 1.488 1.473 0 CA-C-O 119.852 -0.118 . . . . 0.0 111.29 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -129.6 167.49 17.87 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 125.928 1.691 . . . . 0.0 110.874 169.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -107.82 139.1 42.92 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.978 1.311 . . . . 0.0 111.106 -174.079 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.9 t -123.65 139.74 49.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 124.584 1.153 . . . . 0.0 109.719 177.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.5 tpp -133.25 133.89 43.24 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 123.886 0.875 . . . . 0.0 110.32 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -107.8 130.93 54.94 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 124.164 0.986 . . . . 0.0 110.866 -175.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.4 t -110.37 128.98 66.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 126.887 2.075 . . . . 0.0 109.448 172.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 32.4 t -130.2 168.05 17.45 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.099 0.96 . . . . 0.0 110.749 170.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.65 -30.05 67.67 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -169.75 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.315 0.1 OUTLIER -135.33 15.77 3.45 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 115.852 1.797 . . . . 0.0 115.852 169.887 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 49.31 37.75 12.21 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 127.558 2.343 . . . . 0.0 115.466 -177.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.3 p -99.83 -36.8 9.31 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 -171.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.5 p -135.03 -74.93 0.46 Allowed 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -169.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.2 mtt85 -56.78 -48.12 78.6 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 -169.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.1 p -66.98 -32.63 73.99 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.798 0.839 . . . . 0.0 112.303 178.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -72.17 -40.23 68.1 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.262 0.625 . . . . 0.0 111.014 178.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 43.3 mtt -63.51 -38.88 92.83 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.719 0.808 . . . . 0.0 111.958 170.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.19 -44.06 89.62 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.33 0.652 . . . . 0.0 111.37 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -61.86 -41.61 98.05 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 118.814 -0.612 . . . . 0.0 111.396 169.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.99 -48.71 71.45 Favored Glycine 0 N--CA 1.471 0.98 0 C-N-CA 124.421 1.01 . . . . 0.0 113.968 176.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -69.91 -44.58 69.37 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 118.634 1.217 . . . . 0.0 111.593 175.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.4 -40.54 89.68 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -177.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -67.24 -25.06 65.9 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-N 119.61 1.096 . . . . 0.0 113.112 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.4 m -86.27 -57.89 2.84 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.692 1.597 . . . . 0.0 112.613 175.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 75.5 mt -80.94 -25.66 37.25 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.201 1.4 . . . . 0.0 112.432 -172.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -99.6 6.43 59.01 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 126.568 2.033 . . . . 0.0 114.542 177.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.47 114.16 1.16 Allowed 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 119.741 1.77 . . . . 0.0 112.543 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.0 -13.5 56.6 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 124.538 1.066 . . . . 0.0 114.615 -178.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 1' ' ' MET . 25.8 mtpt -89.19 -38.99 13.86 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.68 1.592 . . . . 0.0 110.987 169.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 pp -140.59 173.35 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 124.687 1.195 . . . . 0.0 113.616 -176.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -129.26 141.15 51.2 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.427 1.491 . . . . 0.0 108.122 168.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -138.12 151.04 24.84 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 -169.35 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.5 m -140.08 144.77 36.99 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.269 1.428 . . . . 0.0 110.232 177.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.0 t -111.06 136.03 50.68 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.932 1.693 . . . . 0.0 111.894 172.082 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 14.3 p -149.76 -179.48 7.15 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.572 1.549 . . . . 0.0 112.082 176.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -149.2 167.04 29.53 Favored Glycine 0 N--CA 1.466 0.68 0 O-C-N 119.914 -1.741 . . . . 0.0 112.358 169.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.512 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -64.45 -13.18 50.26 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 118.695 1.247 . . . . 0.0 113.392 175.51 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -153.56 159.47 42.19 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 127.807 2.443 . . . . 0.0 108.167 168.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.9 p -113.38 143.65 44.1 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.694 1.198 . . . . 0.0 112.256 -177.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 35.2 t -128.53 -101.47 0.33 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.618 1.167 . . . . 0.0 110.548 170.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.67 158.3 44.05 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 125.536 1.534 . . . . 0.0 110.892 170.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.2 t -61.42 130.17 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 CA-C-N 119.322 0.964 . . . . 0.0 108.937 170.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -66.87 124.33 88.37 Favored Pre-proline 0 CA--C 1.531 0.219 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 175.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -68.58 -25.68 34.49 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 CA-C-N 120.233 1.119 . . . . 0.0 112.092 -169.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.9 m -69.76 -29.3 66.61 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.134 -0.979 . . . . 0.0 111.853 172.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.33 -45.61 92.84 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 120.611 -1.306 . . . . 0.0 111.717 173.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.2 mt -58.87 -45.94 91.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 123.471 0.708 . . . . 0.0 110.19 174.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.25 -37.28 79.92 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 178.073 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 9.9 mmt -75.83 -27.31 57.82 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.496 1.119 . . . . 0.0 112.164 179.034 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 85.3 mmm -76.49 -30.64 57.33 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.123 0.874 . . . . 0.0 111.531 169.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -67.63 -24.53 65.47 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.085 -1.01 . . . . 0.0 112.971 174.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -61.54 -31.56 71.58 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 119.647 1.112 . . . . 0.0 112.905 173.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.8 m -97.34 9.77 6.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.174 1.389 . . . . 0.0 112.403 176.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.02 20.97 80.18 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 125.032 1.301 . . . . 0.0 114.936 177.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 68.7 mt -105.95 135.38 44.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 125.127 1.371 . . . . 0.0 110.074 -177.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -103.2 119.77 39.48 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.68 0.792 . . . . 0.0 112.536 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.6 pt -122.14 12.35 5.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 125.031 1.332 . . . . 0.0 112.583 169.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.3 t -66.66 -27.24 67.51 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 120.677 -1.265 . . . . 0.0 112.782 -176.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -75.91 0.47 62.05 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 124.784 1.183 . . . . 0.0 115.329 173.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -91.01 154.77 19.19 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 119.403 1.601 . . . . 0.0 110.848 175.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 28.2 p -146.87 152.37 38.6 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 128.806 2.842 . . . . 0.0 105.324 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.1 m -78.28 140.36 38.84 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.213 -0.93 . . . . 0.0 113.138 -170.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -138.11 145.68 48.69 Favored Pre-proline 0 N--CA 1.482 1.138 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -90.21 150.17 4.6 Favored 'Trans proline' 0 CA--C 1.541 0.838 0 C-N-CA 123.808 3.005 . . . . 0.0 114.05 -172.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.7 tt -58.11 -36.25 56.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 126.438 1.895 . . . . 0.0 112.003 -178.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -62.62 -21.86 65.97 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 114.363 1.245 . . . . 0.0 114.363 -177.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.89 -13.11 42.84 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 113.758 1.022 . . . . 0.0 113.758 176.566 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -99.4 172.34 7.39 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.219 1.407 . . . . 0.0 113.579 -170.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -123.12 89.7 3.16 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.098 1.359 . . . . 0.0 113.215 -169.684 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.11 -33.93 28.41 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -178.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -60.83 -24.31 65.77 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.109 1.364 . . . . 0.0 114.338 -177.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -100.67 7.73 43.76 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.717 0.807 . . . . 0.0 113.058 178.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -111.31 98.59 7.6 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 124.154 0.982 . . . . 0.0 108.747 174.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -54.49 -32.28 57.6 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.686 -0.634 . . . . 0.0 111.786 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 42.2 t -127.24 137.09 58.82 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 C-N-CA 124.801 1.24 . . . . 0.0 111.073 174.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.6 t -120.82 138.78 50.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 123.977 0.911 . . . . 0.0 109.848 170.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 29.1 mm -124.95 132.83 70.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 124.619 1.168 . . . . 0.0 109.263 -177.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.3 t -101.14 141.33 34.18 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.688 0.795 . . . . 0.0 109.879 169.002 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 mp -135.6 44.34 2.53 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 125.732 1.613 . . . . 0.0 109.369 -177.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 56.8 m -110.01 -18.56 13.33 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 115.2 1.555 . . . . 0.0 115.2 -169.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 81.88 -154.3 33.75 Favored Glycine 0 CA--C 1.537 1.464 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 -169.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 26.0 p -65.61 160.64 22.12 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 176.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 84.91 6.41 85.17 Favored Glycine 0 CA--C 1.537 1.444 0 N-CA-C 116.014 1.165 . . . . 0.0 116.014 174.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 59.7 t -133.24 126.22 52.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 125.139 1.376 . . . . 0.0 110.314 -178.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -132.82 -6.7 3.16 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 115.429 1.641 . . . . 0.0 115.429 -175.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.2 mt 42.92 65.75 5.05 Favored Pre-proline 0 N--CA 1.483 1.203 0 C-N-CA 126.103 1.761 . . . . 0.0 114.682 -177.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -51.04 -28.65 25.27 Favored 'Trans proline' 0 CA--C 1.554 1.482 0 C-N-CA 123.677 2.918 . . . . 0.0 119.058 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -76.67 -160.84 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 C-N-CA 122.604 2.203 . . . . 0.0 114.679 -176.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -58.97 -8.07 1.28 Allowed 'General case' 0 N--CA 1.477 0.918 0 O-C-N 120.155 -1.591 . . . . 0.0 115.115 175.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 90.6 m95 -59.24 -15.14 13.66 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.549 1.54 . . . . 0.0 114.654 171.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 32.9 m -118.3 4.22 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 124.518 1.127 . . . . 0.0 113.929 174.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 41.7 p -98.62 7.8 45.68 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.71 1.204 . . . . 0.0 113.133 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -77.12 -175.05 3.44 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 124.901 1.28 . . . . 0.0 111.174 176.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -65.24 -39.05 92.17 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 120.48 -1.388 . . . . 0.0 112.237 -171.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 49.4 mt -140.96 137.75 34.46 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 C-N-CA 125.403 1.481 . . . . 0.0 109.004 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -128.6 135.66 49.65 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.174 0.99 . . . . 0.0 109.873 168.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -134.41 154.52 51.33 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.425 1.09 . . . . 0.0 111.759 177.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -128.31 99.25 5.36 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.644 1.178 . . . . 0.0 110.794 177.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.409 ' CE2' ' HB3' ' A' ' 122' ' ' ARG . 37.9 m0 -89.47 81.21 6.59 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 125.522 1.529 . . . . 0.0 110.377 -176.526 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -72.43 115.67 11.97 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 122.971 0.508 . . . . 0.0 110.321 179.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 95.2 mt -135.67 166.58 22.91 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.176 1.79 . . . . 0.0 110.154 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -69.81 176.23 3.78 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.684 0.794 . . . . 0.0 112.197 177.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -117.64 97.88 51.18 Favored Pre-proline 0 CA--C 1.545 0.771 0 C-N-CA 124.463 1.105 . . . . 0.0 112.018 -169.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -70.59 -14.99 33.94 Favored 'Trans proline' 0 C--N 1.357 1.017 0 C-N-CA 123.785 2.99 . . . . 0.0 116.612 -171.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -55.11 106.99 0.26 Allowed 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.453 1.501 . . . . 0.0 111.846 -178.058 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 78.91 14.57 81.86 Favored Glycine 0 CA--C 1.539 1.57 0 N-CA-C 115.203 0.841 . . . . 0.0 115.203 -178.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -90.09 -99.93 0.1 Allowed 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 118.589 1.195 . . . . 0.0 111.049 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.7 t -157.12 166.03 34.4 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 125.707 1.603 . . . . 0.0 110.066 172.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 42.9 mt -59.62 -39.19 83.47 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 124.207 1.003 . . . . 0.0 112.37 178.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -59.04 -35.17 72.85 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.61 -0.681 . . . . 0.0 112.339 174.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 92.5 t -73.73 -38.94 52.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 O-C-N 121.413 -0.804 . . . . 0.0 111.081 175.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -60.39 -46.66 89.2 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 118.705 0.684 . . . . 0.0 111.598 171.15 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -60.98 -39.34 89.24 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.61 1.164 . . . . 0.0 111.815 176.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 58.8 m -64.29 -39.59 94.23 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.283 1.033 . . . . 0.0 112.118 177.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 53.2 t -72.22 -47.09 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 O-C-N 121.411 -0.805 . . . . 0.0 111.387 172.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -49.96 -49.71 49.28 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 126.473 1.909 . . . . 0.0 112.712 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -62.66 -34.59 90.05 Favored Glycine 0 N--CA 1.476 1.329 0 C-N-CA 123.716 0.674 . . . . 0.0 113.523 -179.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -78.0 -43.38 29.68 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 121.915 -0.756 . . . . 0.0 111.635 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 58.0 t -56.22 -43.0 75.22 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 O-C-N 121.014 -1.054 . . . . 0.0 111.218 170.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -57.87 -54.86 42.18 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.206 1.002 . . . . 0.0 111.654 174.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -65.41 -35.09 79.9 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -174.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.409 ' HB3' ' CE2' ' A' ' 99' ' ' TRP . 28.7 mmm180 -64.62 -43.76 92.69 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 119.338 0.972 . . . . 0.0 111.065 173.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 20.5 t -58.81 -50.0 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-N 119.497 1.044 . . . . 0.0 113.208 171.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -61.06 -34.92 75.66 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 120.376 1.444 . . . . 0.0 112.417 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.91 -26.79 61.54 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 176.742 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 52.9 tp -82.82 -45.19 14.61 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.551 1.141 . . . . 0.0 111.956 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 9.6 pt -64.08 -28.89 45.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 O-C-N 120.759 -1.213 . . . . 0.0 112.718 -178.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.08 -21.8 64.04 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 173.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -85.58 -45.7 11.5 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.252 1.421 . . . . 0.0 112.875 175.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.329 1.8 pp -103.12 3.6 10.66 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 N-CA-C 116.375 1.991 . . . . 0.0 116.375 -171.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 42.7 t . . . . . 0 C--O 1.257 1.49 0 CA-C-N 119.94 1.246 . . . . 0.0 111.416 169.464 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.458 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 55.9 ttm . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 111.559 0.207 . . . . 0.0 111.559 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -128.82 165.52 20.83 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 126.121 1.768 . . . . 0.0 110.499 169.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -106.93 139.72 40.88 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.898 1.279 . . . . 0.0 110.886 -176.03 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.7 t -123.34 140.81 45.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 124.442 1.097 . . . . 0.0 109.941 177.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.1 tpp -133.65 133.95 42.57 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 124.001 0.921 . . . . 0.0 110.174 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -106.4 134.29 49.77 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.083 0.953 . . . . 0.0 111.049 -176.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.4 t -113.43 126.29 70.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 126.695 1.998 . . . . 0.0 109.949 173.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.6 t -122.67 170.78 9.7 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.772 1.629 . . . . 0.0 109.608 170.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.61 -46.44 66.26 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 120.614 -1.304 . . . . 0.0 112.324 -174.161 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.318 0.3 OUTLIER -121.33 8.7 10.26 Favored 'General case' 0 N--CA 1.499 1.98 0 N-CA-C 116.494 2.035 . . . . 0.0 116.494 173.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 54.33 30.47 12.64 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 127.047 2.139 . . . . 0.0 115.662 178.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.3 p -94.81 -45.62 7.24 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.166 1.386 . . . . 0.0 112.781 -178.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.0 t -127.25 -174.24 3.11 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.596 1.958 . . . . 0.0 109.927 177.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 59.65 -75.88 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 126.66 1.984 . . . . 0.0 114.376 -175.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.9 p -63.06 -33.74 76.09 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 125.076 1.351 . . . . 0.0 112.84 -175.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 -69.14 -36.09 77.07 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 121.674 -0.641 . . . . 0.0 111.625 177.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 56.5 mtt -69.28 -36.64 77.27 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.528 0.731 . . . . 0.0 111.37 171.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.51 -43.06 95.26 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.397 0.679 . . . . 0.0 111.278 179.092 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -62.94 -41.94 99.65 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 118.783 -0.627 . . . . 0.0 111.123 169.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.05 -47.87 77.54 Favored Glycine 0 N--CA 1.473 1.124 0 C-N-CA 124.337 0.97 . . . . 0.0 114.375 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -69.82 -45.49 67.74 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.206 -1.173 . . . . 0.0 111.697 175.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.75 -41.0 92.66 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 -177.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -67.03 -25.04 66.08 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 119.429 1.013 . . . . 0.0 113.34 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.7 m -86.63 -56.95 3.18 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.304 1.441 . . . . 0.0 112.59 175.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 74.6 mt -81.66 -27.45 34.05 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.943 1.297 . . . . 0.0 112.199 -171.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -97.74 7.08 62.96 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 126.183 1.849 . . . . 0.0 114.469 176.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.64 114.65 1.32 Allowed 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 119.903 1.852 . . . . 0.0 112.343 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.08 -14.44 57.29 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.563 1.078 . . . . 0.0 114.496 -178.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.458 ' O ' ' HA ' ' A' ' 1' ' ' MET . 10.9 mtpt -89.46 -38.58 13.95 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.02 1.328 . . . . 0.0 111.245 169.562 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 pp -140.46 173.29 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 124.414 1.085 . . . . 0.0 113.768 -175.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.12 142.07 50.63 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.32 1.448 . . . . 0.0 108.41 168.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -139.27 151.34 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 -169.217 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.9 m -140.76 145.76 36.82 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.516 1.527 . . . . 0.0 110.26 178.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.4 t -112.41 136.37 51.97 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.939 1.696 . . . . 0.0 111.91 172.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 14.0 p -150.24 -178.36 6.47 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.527 1.531 . . . . 0.0 112.323 176.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -152.78 167.12 31.54 Favored Glycine 0 N--CA 1.467 0.733 0 O-C-N 120.188 -1.57 . . . . 0.0 113.095 169.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.476 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -63.74 -17.78 63.36 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 118.168 0.984 . . . . 0.0 112.691 172.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -139.49 163.43 32.55 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 127.118 2.167 . . . . 0.0 108.275 168.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.7 p -140.32 129.02 23.04 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.742 0.817 . . . . 0.0 111.949 -178.192 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 35.8 t -117.35 -89.15 0.59 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.196 0.999 . . . . 0.0 111.637 177.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.76 155.49 33.15 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.932 2.093 . . . . 0.0 109.746 174.524 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.6 t -60.67 132.82 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 CA-C-N 119.804 1.184 . . . . 0.0 109.048 172.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -66.69 123.91 87.09 Favored Pre-proline 0 C--O 1.233 0.215 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 175.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -68.41 -26.0 35.23 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 CA-C-N 120.361 1.165 . . . . 0.0 111.85 -169.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.0 m -70.04 -28.81 65.77 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.243 -0.91 . . . . 0.0 111.749 173.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.47 -45.72 93.04 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 120.542 -1.349 . . . . 0.0 111.672 173.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.3 mt -57.28 -47.21 84.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 123.356 0.663 . . . . 0.0 110.161 172.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.58 -35.08 75.21 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 10.4 mmt -76.52 -33.88 58.58 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.258 1.023 . . . . 0.0 111.814 178.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 87.3 mmm -68.41 -29.95 68.74 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.334 -0.854 . . . . 0.0 111.97 170.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -68.1 -19.89 64.89 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 121.17 -0.957 . . . . 0.0 113.081 173.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -62.42 -29.07 70.23 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 119.965 1.257 . . . . 0.0 112.823 173.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 31.2 m -103.13 11.24 8.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 125.278 1.431 . . . . 0.0 112.493 176.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.43 18.33 76.86 Favored Glycine 0 CA--C 1.538 1.52 0 C-N-CA 124.723 1.154 . . . . 0.0 115.004 178.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 62.6 mt -98.71 136.22 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 125.017 1.327 . . . . 0.0 109.714 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -106.82 123.49 48.23 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.445 0.698 . . . . 0.0 112.012 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 11.2 pt -121.87 14.36 5.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.06 1.344 . . . . 0.0 112.716 169.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.0 m -63.59 -27.35 69.19 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 120.761 -1.212 . . . . 0.0 113.345 -174.025 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -79.25 -0.59 83.64 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 124.925 1.25 . . . . 0.0 115.089 176.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -87.62 154.27 20.73 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 119.219 1.509 . . . . 0.0 110.738 176.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 24.8 p -146.84 152.89 39.46 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 129.068 2.947 . . . . 0.0 105.122 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 36.5 m -78.59 141.8 37.78 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 121.475 -0.766 . . . . 0.0 112.599 -171.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -140.31 146.64 46.56 Favored Pre-proline 0 N--CA 1.478 0.951 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -89.65 147.0 4.96 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.457 2.771 . . . . 0.0 113.472 -171.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.2 tt -55.01 -35.54 35.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 126.555 1.942 . . . . 0.0 111.757 177.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -60.56 -23.76 64.89 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.926 1.291 . . . . 0.0 114.449 -178.125 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.43 -13.37 35.05 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 178.154 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -97.06 170.88 8.83 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.06 1.344 . . . . 0.0 113.797 -169.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -120.96 88.2 2.89 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.085 1.354 . . . . 0.0 113.034 -169.744 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.49 -34.26 24.46 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -177.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -60.71 -24.57 65.76 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 -177.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -98.11 5.49 48.56 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 177.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -109.92 99.55 8.66 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.16 0.984 . . . . 0.0 108.495 175.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -54.41 -33.08 58.68 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.674 -0.641 . . . . 0.0 111.945 178.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 40.4 t -126.16 137.23 58.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 C-N-CA 124.775 1.23 . . . . 0.0 111.128 173.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 49.7 t -120.67 138.38 51.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.016 0.926 . . . . 0.0 109.48 169.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 28.5 mm -126.29 124.73 66.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 124.224 1.01 . . . . 0.0 109.248 -177.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.6 t -93.01 143.83 25.85 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 168.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.9 mp -131.47 32.53 4.17 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 125.363 1.465 . . . . 0.0 109.695 175.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 58.7 m -93.34 -56.15 3.04 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 -169.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 134.92 -179.88 17.19 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 125.153 1.358 . . . . 0.0 112.06 -169.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 66.4 m -63.03 -22.14 66.65 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 115.298 1.592 . . . . 0.0 115.298 -173.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -73.41 -0.42 53.41 Favored Glycine 0 CA--C 1.539 1.569 0 N-CA-C 115.647 1.019 . . . . 0.0 115.647 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 43.2 t -129.68 129.38 66.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 125.304 1.441 . . . . 0.0 111.258 -170.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -131.52 -6.24 3.71 Favored 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 115.405 1.632 . . . . 0.0 115.405 -176.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 61.7 mt 42.45 65.58 4.96 Favored Pre-proline 0 N--CA 1.484 1.255 0 C-N-CA 125.993 1.717 . . . . 0.0 114.863 -176.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -50.27 -28.88 21.53 Favored 'Trans proline' 0 CA--C 1.553 1.427 0 C-N-CA 123.627 2.885 . . . . 0.0 119.202 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -76.37 -160.58 0.11 Allowed 'Trans proline' 0 CA--C 1.546 1.124 0 C-N-CA 122.637 2.225 . . . . 0.0 114.674 -177.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -59.22 -8.0 1.44 Allowed 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 115.163 1.542 . . . . 0.0 115.163 175.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -59.3 -15.49 16.24 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.844 1.658 . . . . 0.0 114.671 171.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.1 m -117.93 3.26 7.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 174.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 40.9 p -97.78 7.99 45.46 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.384 1.074 . . . . 0.0 113.307 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -76.72 -174.56 3.05 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.684 1.194 . . . . 0.0 111.397 176.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -65.48 -38.99 91.4 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 120.57 -1.331 . . . . 0.0 112.089 -171.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 44.5 mt -141.69 137.03 31.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 125.408 1.483 . . . . 0.0 109.003 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -128.75 134.47 48.43 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.251 1.02 . . . . 0.0 109.772 169.075 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -133.48 156.45 47.72 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.63 1.172 . . . . 0.0 111.709 177.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -129.68 93.65 3.57 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.519 1.128 . . . . 0.0 110.977 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 32.8 m0 -90.56 77.11 6.48 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.822 1.649 . . . . 0.0 110.924 -176.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -68.36 130.3 42.47 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 121.722 -0.611 . . . . 0.0 110.868 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 57.7 mt -141.46 170.73 15.17 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.109 1.764 . . . . 0.0 110.094 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -72.64 177.65 4.6 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.779 0.832 . . . . 0.0 112.307 173.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -116.07 99.3 52.51 Favored Pre-proline 0 CA--C 1.542 0.649 0 O-C-N 120.755 -1.216 . . . . 0.0 112.034 -175.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -67.28 -15.47 46.0 Favored 'Trans proline' 0 C--N 1.354 0.858 0 C-N-CA 124.003 3.135 . . . . 0.0 116.346 -176.014 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -54.76 107.53 0.3 Allowed 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.778 1.231 . . . . 0.0 111.965 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 79.96 15.18 79.57 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 124.167 0.889 . . . . 0.0 115.058 -178.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -93.17 -99.77 0.13 Allowed 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 118.536 1.168 . . . . 0.0 111.771 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 59.7 p -156.99 162.86 39.59 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 126.463 1.905 . . . . 0.0 110.566 178.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 49.3 mt -63.96 -36.49 84.14 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 121.582 -0.699 . . . . 0.0 111.748 177.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -59.06 -38.64 79.88 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.567 -0.708 . . . . 0.0 112.554 172.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.4 t -70.81 -39.18 75.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 O-C-N 121.271 -0.893 . . . . 0.0 111.733 173.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -59.58 -45.66 91.2 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 119.341 0.973 . . . . 0.0 111.762 171.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 80.6 mtt180 -61.79 -39.67 92.54 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.762 1.225 . . . . 0.0 112.026 176.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 69.1 m -63.12 -37.37 86.93 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.419 1.088 . . . . 0.0 111.816 177.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 38.4 t -72.94 -48.88 42.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 O-C-N 121.4 -0.812 . . . . 0.0 111.323 170.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 60.1 ttp85 -50.83 -48.67 59.77 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.956 1.702 . . . . 0.0 112.571 -178.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -63.31 -36.32 93.25 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 123.503 0.573 . . . . 0.0 113.906 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -77.16 -42.47 37.63 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 118.04 0.92 . . . . 0.0 111.789 178.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 54.2 t -56.99 -41.99 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 O-C-N 121.287 -0.883 . . . . 0.0 111.365 171.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -57.81 -56.77 17.61 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.895 0.878 . . . . 0.0 111.644 173.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -63.46 -36.52 84.01 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -174.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 15.5 mmp_? -63.45 -45.38 91.12 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 118.828 0.74 . . . . 0.0 110.767 175.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 24.1 t -60.35 -48.22 89.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 CA-C-O 117.944 -1.027 . . . . 0.0 113.295 172.025 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -60.78 -34.96 75.27 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 120.685 1.584 . . . . 0.0 112.161 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.26 -26.61 61.17 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 177.346 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 57.4 tp -79.75 -49.85 11.44 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 124.567 1.147 . . . . 0.0 112.139 176.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 8.9 pt -63.3 -27.15 42.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 O-C-N 121.196 -0.94 . . . . 0.0 112.322 -177.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.64 -17.92 63.55 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 176.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -103.17 -33.98 9.01 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 115.283 1.586 . . . . 0.0 115.283 175.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.317 2.0 pp -99.46 5.62 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 N-CA-C 115.818 1.784 . . . . 0.0 115.818 179.34 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 61.0 p . . . . . 0 C--O 1.255 1.35 0 CA-C-N 119.8 1.182 . . . . 0.0 113.617 169.899 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.466 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 51.7 ttm . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -129.22 165.83 20.58 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 126.226 1.81 . . . . 0.0 110.496 169.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -107.58 141.37 39.15 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.052 1.341 . . . . 0.0 110.682 -175.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.7 t -125.06 141.23 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 123.983 0.913 . . . . 0.0 110.092 177.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 7.3 tpp -132.87 136.04 45.96 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.094 0.958 . . . . 0.0 110.532 178.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -113.37 110.74 20.82 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.761 1.224 . . . . 0.0 111.495 -174.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.4 t -87.63 145.84 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 126.653 1.981 . . . . 0.0 111.482 171.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.9 t -144.54 -175.96 4.86 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.749 2.019 . . . . 0.0 107.677 168.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -63.45 -66.02 0.6 Allowed 'General case' 0 N--CA 1.487 1.377 0 CA-C-N 121.362 1.892 . . . . 0.0 111.256 173.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.73 2.82 16.2 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 116.121 1.897 . . . . 0.0 116.121 -170.479 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 53.18 32.51 13.41 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 127.298 2.239 . . . . 0.0 114.542 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.7 p -85.53 -40.54 16.21 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.736 1.214 . . . . 0.0 112.648 -177.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.1 t -137.1 -153.08 0.47 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 127.184 2.194 . . . . 0.0 109.318 178.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 48.49 -88.96 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.877 0 C-N-CA 126.896 2.078 . . . . 0.0 113.454 177.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.8 p -44.84 -38.77 4.79 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 126.788 2.035 . . . . 0.0 114.857 170.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -67.85 -38.95 83.82 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 121.642 -0.661 . . . . 0.0 112.193 175.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 40.5 mtt -65.88 -35.18 79.93 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 121.16 -0.963 . . . . 0.0 111.549 172.003 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.63 -45.05 88.48 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.721 -0.612 . . . . 0.0 111.635 177.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -62.76 -39.4 94.03 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.843 -0.535 . . . . 0.0 110.737 169.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.85 -45.2 80.87 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 125.765 1.65 . . . . 0.0 114.888 175.033 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -82.48 -38.57 23.7 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.407 1.603 . . . . 0.0 112.898 175.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.11 -33.43 75.45 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 120.922 -1.111 . . . . 0.0 112.71 -178.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -64.39 -29.61 70.67 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 119.469 1.032 . . . . 0.0 113.214 177.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.6 p -91.55 -54.83 3.73 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.218 1.407 . . . . 0.0 112.841 177.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.0 mt -74.51 -24.36 58.97 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.962 1.305 . . . . 0.0 112.539 -175.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -101.37 6.27 55.65 Favored Glycine 0 CA--C 1.53 0.969 0 C-N-CA 126.254 1.883 . . . . 0.0 114.92 176.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.99 114.02 1.58 Allowed 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 119.876 1.838 . . . . 0.0 112.552 -176.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.5 -12.59 58.53 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.454 1.026 . . . . 0.0 114.338 -178.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.466 ' O ' ' HA ' ' A' ' 1' ' ' MET . 30.1 mtpt -88.61 -42.26 12.14 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.585 1.554 . . . . 0.0 110.824 169.662 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.3 pp -139.97 174.0 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.906 1.282 . . . . 0.0 113.237 -174.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -129.08 140.55 51.54 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.178 1.391 . . . . 0.0 108.637 168.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.41 152.25 27.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 -169.341 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.9 m -146.33 152.23 38.78 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.833 1.653 . . . . 0.0 109.455 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 83.8 p -125.42 150.91 46.85 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 120.687 -1.258 . . . . 0.0 111.37 169.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 16.3 p -154.66 -178.42 7.17 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.797 1.239 . . . . 0.0 111.226 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -146.09 163.95 28.32 Favored Glycine 0 C--O 1.224 -0.484 0 O-C-N 120.896 -1.128 . . . . 0.0 112.707 169.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.469 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -64.77 -13.89 56.93 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 118.54 1.17 . . . . 0.0 113.125 176.113 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -141.33 173.55 11.39 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 127.173 2.189 . . . . 0.0 108.82 168.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.3 t -132.71 142.14 48.91 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 121.049 -1.032 . . . . 0.0 111.188 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.7 t -130.39 -96.13 0.37 Allowed 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.409 1.084 . . . . 0.0 111.015 171.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.47 153.96 31.12 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 126.434 1.894 . . . . 0.0 110.577 173.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.1 t -60.04 136.61 23.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-N 118.291 0.496 . . . . 0.0 110.733 169.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -77.73 130.72 72.66 Favored Pre-proline 0 CA--C 1.533 0.306 0 CA-C-O 118.89 -0.576 . . . . 0.0 109.527 178.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -70.69 -26.4 23.23 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 CA-C-N 120.384 1.173 . . . . 0.0 112.117 -169.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 58.4 m -71.93 -24.75 61.68 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.304 -0.872 . . . . 0.0 111.832 174.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.95 -48.15 82.54 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 120.857 -1.152 . . . . 0.0 111.267 172.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.0 mt -59.69 -46.9 92.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 123.601 0.761 . . . . 0.0 110.082 175.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.99 -37.46 79.71 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 12.7 mmt -75.78 -28.78 58.54 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.372 1.069 . . . . 0.0 112.19 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 84.9 mmm -76.05 -30.16 58.29 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 118.882 0.764 . . . . 0.0 111.809 169.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -68.12 -23.37 64.89 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 120.97 -1.081 . . . . 0.0 112.651 174.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -62.29 -29.32 70.35 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 119.785 1.175 . . . . 0.0 112.632 173.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.8 m -101.18 10.51 7.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 125.394 1.478 . . . . 0.0 112.442 176.053 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.71 22.39 77.18 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 125.092 1.33 . . . . 0.0 115.271 176.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 54.5 mt -108.91 142.3 21.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 125.348 1.459 . . . . 0.0 110.672 -175.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -109.59 122.14 46.78 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.651 1.18 . . . . 0.0 113.238 -178.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.6 pt -126.69 20.7 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.329 1.452 . . . . 0.0 112.204 169.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.2 t -72.7 -30.61 64.36 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 120.817 -1.177 . . . . 0.0 112.79 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.24 7.56 36.89 Favored Glycine 0 CA--C 1.538 1.522 0 C-N-CA 125.21 1.386 . . . . 0.0 115.564 177.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -133.93 148.6 51.21 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.083 1.753 . . . . 0.0 110.226 -179.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.0 t -142.15 -176.4 4.8 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 124.443 1.097 . . . . 0.0 109.387 177.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.8 m -56.23 137.06 52.65 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 124.191 0.997 . . . . 0.0 113.322 177.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -142.64 146.93 40.37 Favored Pre-proline 0 CA--C 1.552 1.024 0 C-N-CA 124.737 1.215 . . . . 0.0 112.743 169.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -87.55 146.65 7.19 Favored 'Trans proline' 0 CA--C 1.542 0.884 0 C-N-CA 123.614 2.876 . . . . 0.0 114.238 -172.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.7 tt -56.91 -35.63 47.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 126.714 2.006 . . . . 0.0 112.233 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -63.5 -22.05 66.67 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -177.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.24 -12.7 45.94 Favored 'General case' 0 CA--C 1.553 1.065 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 175.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -100.32 173.08 6.76 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.086 1.355 . . . . 0.0 113.468 -170.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -128.18 90.03 3.01 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.083 1.353 . . . . 0.0 112.819 -169.735 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.47 -32.15 57.17 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -179.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -56.85 -24.59 52.48 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.29 1.436 . . . . 0.0 114.133 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -101.23 5.75 42.68 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.565 1.146 . . . . 0.0 113.484 176.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -110.41 97.09 6.62 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.426 1.09 . . . . 0.0 108.834 174.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -53.0 -34.72 57.6 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 121.796 -0.565 . . . . 0.0 111.905 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 47.7 t -121.88 138.18 53.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 C-N-CA 124.593 1.157 . . . . 0.0 111.001 173.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 62.4 t -123.45 135.81 62.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 123.991 0.916 . . . . 0.0 110.06 170.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 22.5 mm -121.15 136.46 58.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 124.615 1.166 . . . . 0.0 108.923 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.7 t -103.0 139.81 38.08 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 123.953 0.901 . . . . 0.0 109.684 169.001 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.6 mp -131.76 40.71 3.35 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 126.131 1.772 . . . . 0.0 109.886 178.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 75.0 m -89.42 -43.97 10.5 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.697 0.799 . . . . 0.0 113.063 -173.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 83.2 73.1 1.25 Allowed Glycine 0 CA--C 1.534 1.252 0 C-N-CA 123.85 0.738 . . . . 0.0 112.705 -172.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 76.7 m 60.03 174.35 0.09 Allowed 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 126.315 1.846 . . . . 0.0 114.318 -173.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 76.08 3.41 75.26 Favored Glycine 0 CA--C 1.537 1.465 0 N-CA-C 115.531 0.972 . . . . 0.0 115.531 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 59.4 t -141.8 135.04 29.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 126.1 1.76 . . . . 0.0 109.842 -172.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -140.22 1.87 1.84 Allowed 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 115.532 1.678 . . . . 0.0 115.532 175.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 49.2 mt 42.48 65.73 4.85 Favored Pre-proline 0 CA--C 1.556 1.212 0 C-N-CA 126.562 1.945 . . . . 0.0 115.116 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -50.35 -28.88 21.95 Favored 'Trans proline' 0 CA--C 1.554 1.521 0 C-N-CA 123.67 2.913 . . . . 0.0 119.127 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -76.58 -158.89 0.09 OUTLIER 'Trans proline' 0 CA--C 1.549 1.245 0 C-N-CA 122.647 2.232 . . . . 0.0 114.993 -176.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -52.05 -14.73 0.44 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 126.115 1.766 . . . . 0.0 115.122 172.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -59.28 -16.1 19.64 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 126.358 1.863 . . . . 0.0 115.053 174.003 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 32.9 m -120.66 3.56 6.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 124.602 1.161 . . . . 0.0 114.102 174.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 45.9 p -91.95 1.49 57.15 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.932 0.893 . . . . 0.0 113.331 177.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 76.5 mm-40 -76.53 176.83 7.94 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.096 1.358 . . . . 0.0 112.018 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -64.57 -37.96 89.37 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 121.479 -0.763 . . . . 0.0 112.808 -169.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 36.2 mt -137.06 134.26 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 124.259 1.024 . . . . 0.0 109.996 173.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -126.97 132.91 50.7 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.326 1.05 . . . . 0.0 109.956 168.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -135.82 155.04 50.95 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.479 1.112 . . . . 0.0 112.229 177.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -123.53 95.84 4.74 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.569 1.147 . . . . 0.0 110.676 176.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 44.1 m0 -89.41 83.24 6.38 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.74 1.616 . . . . 0.0 110.269 -177.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -70.75 115.87 10.41 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.862 -0.524 . . . . 0.0 111.177 -175.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 82.4 mt -142.09 149.54 40.01 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 126.473 1.909 . . . . 0.0 108.007 177.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -69.15 155.63 40.06 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.723 0.773 . . . . 0.0 112.076 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -85.27 114.89 58.82 Favored Pre-proline 0 CA--C 1.548 0.899 0 CA-C-O 118.696 -0.669 . . . . 0.0 110.793 178.205 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -71.95 -11.08 27.09 Favored 'Trans proline' 0 C--N 1.355 0.897 0 C-N-CA 122.933 2.422 . . . . 0.0 116.262 -171.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -50.77 112.15 0.66 Allowed 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.357 1.463 . . . . 0.0 112.166 178.086 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.98 14.59 78.67 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 124.162 0.887 . . . . 0.0 114.622 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -85.6 -95.74 0.07 Allowed 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 118.527 1.164 . . . . 0.0 110.962 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.2 m -164.87 159.6 18.51 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 127.074 2.15 . . . . 0.0 109.407 175.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 57.1 mt -62.51 -37.71 87.09 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 121.003 -1.061 . . . . 0.0 112.225 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -60.56 -29.88 69.44 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 121.298 -0.876 . . . . 0.0 112.926 173.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 82.4 t -74.94 -41.91 46.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 O-C-N 121.415 -0.803 . . . . 0.0 110.762 173.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -58.55 -45.62 88.54 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.311 0.96 . . . . 0.0 111.214 172.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 -64.41 -39.52 94.0 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.546 1.138 . . . . 0.0 112.259 177.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 40.6 m -63.3 -37.76 88.51 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.143 0.977 . . . . 0.0 111.868 175.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 55.5 t -73.3 -48.55 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 123.756 0.822 . . . . 0.0 110.91 174.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -50.01 -50.14 48.28 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 126.534 1.934 . . . . 0.0 112.563 178.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -62.6 -39.6 98.09 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 123.331 0.491 . . . . 0.0 113.318 -178.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -75.01 -40.93 60.32 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.849 -0.795 . . . . 0.0 111.833 178.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 91.1 t -57.63 -45.22 86.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 O-C-N 121.247 -0.908 . . . . 0.0 111.348 170.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -57.91 -54.65 44.55 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.133 0.973 . . . . 0.0 111.285 175.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -64.34 -37.49 87.68 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 118.541 -0.742 . . . . 0.0 112.211 -175.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 47.7 mtt180 -67.66 -37.46 82.42 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 117.87 -1.062 . . . . 0.0 111.926 175.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 19.2 t -61.31 -49.47 84.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 CA-C-N 119.916 1.235 . . . . 0.0 112.331 169.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -61.43 -36.01 79.18 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 120.425 1.466 . . . . 0.0 112.456 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -71.99 -30.18 64.98 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 177.004 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 50.8 tp -76.17 -51.71 11.59 Favored 'General case' 0 C--N 1.339 0.109 0 C-N-CA 123.874 0.87 . . . . 0.0 111.507 177.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 6.4 pt -61.09 -33.19 54.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-N 119.223 0.92 . . . . 0.0 111.877 -175.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.82 -21.7 66.84 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 175.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -84.64 -40.22 17.7 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.763 1.225 . . . . 0.0 113.092 174.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.0 pp -108.38 -0.77 9.83 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 N-CA-C 116.44 2.015 . . . . 0.0 116.44 -169.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 41.4 m . . . . . 0 C--O 1.256 1.4 0 C-N-CA 124.155 0.982 . . . . 0.0 112.915 175.426 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.463 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 55.3 ttm . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 111.554 0.205 . . . . 0.0 111.554 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -129.31 162.92 26.84 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 126.275 1.83 . . . . 0.0 110.331 169.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.432 ' HE2' ' O ' ' A' ' 72' ' ' ASP . 1.6 mppt? -107.0 140.4 39.87 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.402 1.081 . . . . 0.0 111.533 -175.708 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.2 t -120.84 141.44 41.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 124.315 1.046 . . . . 0.0 109.945 178.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.2 tpp -133.58 136.45 44.92 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 123.843 0.857 . . . . 0.0 110.092 177.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -108.47 136.92 47.28 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.538 1.135 . . . . 0.0 111.58 -175.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.3 t -118.44 133.65 64.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 126.533 1.933 . . . . 0.0 110.854 175.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 45.1 t -137.97 178.41 7.14 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 125.153 1.381 . . . . 0.0 111.643 174.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -53.08 -56.85 13.08 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 126.343 1.857 . . . . 0.0 113.698 -176.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -133.59 14.33 4.07 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 125.481 1.512 . . . . 0.0 114.52 -178.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.255 7.8 t-20 51.35 38.9 22.9 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 127.467 2.307 . . . . 0.0 114.686 -174.382 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.5 p -91.59 -43.23 9.77 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.235 1.414 . . . . 0.0 113.166 177.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.0 t -139.56 -175.71 4.29 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.922 1.689 . . . . 0.0 110.744 -175.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 57.56 -80.18 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 126.968 2.107 . . . . 0.0 112.949 -173.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.2 p -46.19 -46.17 17.27 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 127.271 2.229 . . . . 0.0 113.929 176.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -66.17 -36.7 83.79 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.61 1.164 . . . . 0.0 112.088 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 54.5 mtt -68.82 -35.55 77.11 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.81 0.844 . . . . 0.0 111.78 170.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.26 -40.56 96.23 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.552 0.741 . . . . 0.0 111.59 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -63.8 -39.76 95.02 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 119.091 -0.481 . . . . 0.0 111.267 169.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.38 -49.89 65.92 Favored Glycine 0 CA--C 1.528 0.877 0 C-N-CA 123.96 0.79 . . . . 0.0 114.071 174.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -70.78 -45.36 64.86 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 118.463 1.131 . . . . 0.0 112.127 176.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.97 -39.69 93.86 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -177.195 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -67.65 -25.32 65.66 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 119.494 1.043 . . . . 0.0 113.266 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.4 m -86.95 -54.24 4.45 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.448 1.499 . . . . 0.0 112.619 177.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 71.8 mt -83.9 -28.91 27.57 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.183 1.393 . . . . 0.0 112.354 -172.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -96.18 6.58 66.32 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 126.37 1.938 . . . . 0.0 114.476 176.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.58 113.44 0.89 Allowed 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 119.679 1.739 . . . . 0.0 112.365 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.72 -15.02 56.93 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.585 1.088 . . . . 0.0 114.341 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 1' ' ' MET . 9.0 mtpt -88.52 -38.19 15.14 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.984 1.313 . . . . 0.0 111.224 169.635 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 pp -141.4 174.1 7.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 124.313 1.045 . . . . 0.0 113.458 -174.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -132.48 144.96 50.82 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.378 1.471 . . . . 0.0 108.481 168.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -138.42 151.68 24.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 N-CA-C 114.911 1.449 . . . . 0.0 114.911 -169.32 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.6 m -138.96 149.25 44.53 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.788 1.635 . . . . 0.0 109.406 175.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.3 t -119.36 138.48 53.03 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.246 1.418 . . . . 0.0 111.929 174.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 13.8 p -152.15 -176.45 5.67 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.326 1.451 . . . . 0.0 112.551 177.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -151.49 172.42 30.97 Favored Glycine 0 N--CA 1.469 0.841 0 O-C-N 120.32 -1.487 . . . . 0.0 111.456 171.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.434 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -63.38 -13.5 40.2 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 119.623 1.712 . . . . 0.0 113.457 175.383 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -153.01 166.15 33.33 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 127.095 2.158 . . . . 0.0 109.866 169.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.8 p -107.67 152.71 23.95 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.087 1.355 . . . . 0.0 111.944 175.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.3 t -139.06 -82.7 0.28 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.141 1.376 . . . . 0.0 110.295 169.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.85 158.28 17.17 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 126.931 2.092 . . . . 0.0 110.068 169.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.6 t -60.42 136.7 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 CA-C-N 120.104 1.32 . . . . 0.0 108.603 169.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -67.9 124.58 89.83 Favored Pre-proline 0 N--CA 1.467 0.377 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 173.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -67.5 -26.23 40.59 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 CA-C-N 120.493 1.212 . . . . 0.0 112.117 -169.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 40.4 m -70.34 -27.96 64.76 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.692 0.797 . . . . 0.0 112.218 173.253 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.68 -43.46 98.81 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 120.295 -1.503 . . . . 0.0 111.842 175.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.6 mt -60.74 -43.38 95.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 123.518 0.727 . . . . 0.0 110.383 174.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.72 -36.85 84.34 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 177.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 23.3 mmt -74.91 -30.4 61.26 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.247 1.419 . . . . 0.0 112.312 178.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 79.0 mmm -75.52 -30.29 59.75 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 119.071 0.851 . . . . 0.0 111.659 169.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -69.46 -19.85 63.76 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.128 -0.983 . . . . 0.0 113.432 173.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -63.42 -30.67 71.76 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.863 1.21 . . . . 0.0 112.223 171.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 30.9 m -100.88 10.53 7.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 125.524 1.53 . . . . 0.0 112.625 177.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.44 18.57 77.06 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 124.7 1.143 . . . . 0.0 115.281 177.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 60.5 mt -99.51 117.22 44.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 124.602 1.161 . . . . 0.0 109.323 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -86.24 119.01 26.06 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 112.235 0.458 . . . . 0.0 112.235 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.3 pt -121.99 13.91 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 125.185 1.394 . . . . 0.0 112.248 169.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 87.8 p -63.38 -21.9 66.56 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 120.627 -1.296 . . . . 0.0 113.988 -174.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.9 1.53 86.24 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 125.022 1.296 . . . . 0.0 115.474 173.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -76.95 154.54 33.49 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 119.913 1.856 . . . . 0.0 112.035 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 31.8 p -133.03 161.41 34.44 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 127.726 2.411 . . . . 0.0 107.907 169.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.6 p -90.56 141.91 28.29 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.321 -0.862 . . . . 0.0 113.127 175.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -138.79 146.68 51.23 Favored Pre-proline 0 N--CA 1.48 1.047 0 C-N-CA 124.494 1.118 . . . . 0.0 113.785 -177.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -88.65 147.63 6.02 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 124.094 3.196 . . . . 0.0 113.543 -176.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 11.2 tt -58.63 -37.88 67.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 126.737 2.015 . . . . 0.0 112.088 -177.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -68.87 -11.2 60.29 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 -174.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.6 -13.86 36.25 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 171.43 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -101.15 173.98 6.21 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 114.306 1.224 . . . . 0.0 114.306 -169.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -116.8 86.33 2.48 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.775 2.03 . . . . 0.0 112.263 -171.084 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.36 -33.94 31.82 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 121.308 -0.87 . . . . 0.0 113.021 177.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -56.36 -29.12 60.98 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.861 1.664 . . . . 0.0 114.477 -178.021 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.432 ' O ' ' HE2' ' A' ' 3' ' ' LYS . 34.1 t70 -84.59 -28.15 26.75 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 176.577 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -82.93 92.55 7.34 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.033 0.933 . . . . 0.0 109.689 -173.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -47.08 -35.77 7.37 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.786 1.234 . . . . 0.0 111.8 177.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 46.4 t -126.08 136.46 60.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 C-N-CA 124.247 1.019 . . . . 0.0 111.27 173.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.2 t -120.03 138.31 51.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 123.852 0.861 . . . . 0.0 109.415 169.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 31.8 mm -124.45 127.56 73.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 124.605 1.162 . . . . 0.0 109.109 -178.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.0 t -96.64 140.97 30.46 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.194 0.521 . . . . 0.0 109.624 169.063 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 mp -131.34 42.31 3.22 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.688 1.595 . . . . 0.0 108.528 178.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 26.4 p -78.9 -37.45 39.95 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 -169.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.61 44.39 9.41 Favored Glycine 0 CA--C 1.536 1.355 0 CA-C-N 118.251 0.478 . . . . 0.0 112.068 -169.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 4.1 t 63.94 177.95 0.17 Allowed 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 126.074 1.75 . . . . 0.0 112.944 -169.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 79.43 1.09 85.72 Favored Glycine 0 CA--C 1.538 1.492 0 O-C-N 120.863 -1.148 . . . . 0.0 115.458 -177.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 32.0 t -141.89 132.15 24.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 126.14 1.776 . . . . 0.0 109.362 -177.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -128.89 -5.83 5.05 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 -176.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 44.8 mt 44.22 65.17 6.26 Favored Pre-proline 0 CA--C 1.557 1.228 0 C-N-CA 126.025 1.73 . . . . 0.0 114.962 -177.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -51.43 -30.07 33.42 Favored 'Trans proline' 0 CA--C 1.554 1.477 0 C-N-CA 123.402 2.735 . . . . 0.0 119.043 178.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -77.49 -159.96 0.11 Allowed 'Trans proline' 0 CA--C 1.546 1.118 0 C-N-CA 122.526 2.151 . . . . 0.0 114.83 -175.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -56.55 -9.7 0.8 Allowed 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.793 1.637 . . . . 0.0 115.206 174.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -61.19 -15.39 33.58 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.652 1.581 . . . . 0.0 115.026 173.076 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 34.1 m -116.87 2.25 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 124.708 1.203 . . . . 0.0 113.678 174.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 40.0 p -95.41 3.53 54.24 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.471 1.109 . . . . 0.0 113.248 178.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -74.89 178.05 5.83 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.784 1.234 . . . . 0.0 112.016 177.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -65.28 -37.33 86.86 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.424 -0.798 . . . . 0.0 112.856 -169.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 26.1 mt -137.0 137.46 46.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 123.511 0.725 . . . . 0.0 110.329 170.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -128.15 131.81 48.94 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.662 1.185 . . . . 0.0 109.681 168.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -133.36 154.93 50.32 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.395 1.078 . . . . 0.0 111.78 176.258 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -125.15 106.25 9.76 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.776 1.23 . . . . 0.0 110.816 177.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 35.6 m0 -98.18 89.27 4.44 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.559 1.544 . . . . 0.0 110.042 -178.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -79.12 106.12 10.94 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.401 -0.812 . . . . 0.0 110.72 -177.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 52.9 mt -115.98 171.55 7.71 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.665 1.586 . . . . 0.0 111.885 -177.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 32.5 mp0 -61.26 167.28 3.25 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.323 1.849 . . . . 0.0 111.451 171.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -117.86 96.45 49.55 Favored Pre-proline 0 N--CA 1.476 0.854 0 C-N-CA 125.411 1.485 . . . . 0.0 109.966 -177.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -70.56 -14.85 33.93 Favored 'Trans proline' 0 C--N 1.355 0.902 0 C-N-CA 123.778 2.986 . . . . 0.0 118.02 -169.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -59.64 113.52 2.27 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.707 1.14 . . . . 0.0 112.095 -174.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 78.05 14.14 82.61 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 123.998 0.809 . . . . 0.0 114.335 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -89.85 -100.66 0.1 Allowed 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 118.148 0.974 . . . . 0.0 111.388 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 56.2 p -162.52 164.06 27.11 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 126.419 1.888 . . . . 0.0 110.013 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.442 HD22 ' H ' ' A' ' 109' ' ' LEU . 1.7 mm? -68.11 -28.29 67.2 Favored 'General case' 0 C--O 1.223 -0.308 0 C-N-CA 122.782 0.433 . . . . 0.0 111.465 -179.26 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -66.0 -37.42 85.9 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.567 0.747 . . . . 0.0 111.747 171.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 79.4 t -71.85 -37.58 62.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 O-C-N 121.079 -1.013 . . . . 0.0 111.472 174.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -60.77 -47.27 87.09 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.353 0.979 . . . . 0.0 111.422 169.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 58.6 mtp85 -60.55 -37.93 82.85 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.581 1.153 . . . . 0.0 112.029 176.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 51.3 m -61.82 -44.12 97.48 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.512 1.125 . . . . 0.0 111.719 174.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 46.6 t -67.75 -48.1 77.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 O-C-N 121.015 -1.053 . . . . 0.0 111.131 173.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 50.3 ttp180 -53.39 -47.37 69.57 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.336 1.455 . . . . 0.0 112.371 -178.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -62.39 -40.25 98.81 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 123.87 0.747 . . . . 0.0 113.022 179.241 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -69.67 -47.08 64.52 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.822 -0.81 . . . . 0.0 111.205 176.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 76.2 t -55.43 -46.09 78.48 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 CA-C-N 119.191 0.905 . . . . 0.0 111.397 173.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -56.94 -55.77 30.26 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.974 0.91 . . . . 0.0 111.111 177.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -39.29 94.02 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 118.392 -0.813 . . . . 0.0 111.481 -177.091 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -62.15 -43.53 98.63 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 119.188 0.904 . . . . 0.0 110.887 177.277 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 23.0 t -61.36 -49.96 82.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 CA-C-O 118.029 -0.986 . . . . 0.0 113.039 171.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -59.43 -36.39 75.8 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 120.707 1.594 . . . . 0.0 112.313 178.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -25.62 61.51 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 178.238 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 56.7 tp -80.66 -51.14 9.04 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.765 1.226 . . . . 0.0 112.032 175.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 9.0 pt -62.75 -27.96 43.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 CA-C-N 119.462 1.028 . . . . 0.0 112.204 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.74 -19.64 64.35 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 176.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -102.29 -32.77 9.88 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 115.34 1.607 . . . . 0.0 115.34 176.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.31 1.8 pp -101.34 5.13 10.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 N-CA-C 116.676 2.102 . . . . 0.0 116.676 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 60.3 p . . . . . 0 C--O 1.253 1.289 0 CA-C-N 119.617 1.099 . . . . 0.0 113.591 170.814 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.483 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 17.8 ttt . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 119.42 -0.324 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -129.82 167.65 17.78 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 125.198 1.399 . . . . 0.0 111.812 172.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -106.84 139.93 40.48 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.639 1.176 . . . . 0.0 111.282 -176.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.1 t -124.91 139.78 50.03 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 124.395 1.078 . . . . 0.0 109.796 178.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 5.3 tpp -132.98 136.19 45.92 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 123.88 0.872 . . . . 0.0 110.211 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -108.48 131.65 54.6 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.306 1.042 . . . . 0.0 111.211 -177.265 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.6 t -109.11 131.41 59.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 126.541 1.936 . . . . 0.0 109.935 172.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.6 t -128.35 166.84 17.89 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.352 1.461 . . . . 0.0 109.144 169.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -43.62 85.59 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.555 -1.341 . . . . 0.0 112.315 -173.369 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.274 0.2 OUTLIER -123.48 9.34 9.04 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 116.583 2.068 . . . . 0.0 116.583 174.618 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.261 8.0 t-20 49.46 32.27 4.6 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 127.877 2.471 . . . . 0.0 116.26 179.156 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.9 p -88.81 -37.37 15.45 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.044 1.337 . . . . 0.0 113.19 174.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.4 p -139.23 176.97 8.25 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.335 1.854 . . . . 0.0 111.155 -169.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.5 mtt85 55.86 -78.79 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 127.113 2.165 . . . . 0.0 113.79 -172.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 60.7 p -45.63 -45.41 13.87 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 127.415 2.286 . . . . 0.0 113.964 178.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 -65.85 -35.97 82.16 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.636 0.774 . . . . 0.0 112.098 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 6.7 mtp -75.47 -35.5 60.85 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.04 1.336 . . . . 0.0 111.11 174.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.77 -44.36 90.62 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.801 1.24 . . . . 0.0 111.561 174.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -59.76 -40.19 87.36 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 122.729 0.411 . . . . 0.0 111.349 169.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.48 -52.0 54.37 Favored Glycine 0 CA--C 1.531 1.032 0 C-N-CA 125.358 1.456 . . . . 0.0 114.735 176.162 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -65.09 -43.45 92.06 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 119.334 1.567 . . . . 0.0 110.325 176.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.27 -44.24 79.82 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -174.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -64.99 -24.96 67.67 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 119.556 1.071 . . . . 0.0 113.272 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.2 m -85.45 -57.29 3.13 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.574 1.55 . . . . 0.0 112.449 175.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 69.6 mt -83.15 -31.38 27.21 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.009 1.324 . . . . 0.0 112.355 -170.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -94.19 10.16 71.8 Favored Glycine 0 CA--C 1.529 0.911 0 C-N-CA 126.3 1.905 . . . . 0.0 114.304 175.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.13 112.89 0.8 Allowed 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 119.867 1.834 . . . . 0.0 112.838 -178.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.52 -18.4 14.97 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 125.181 1.372 . . . . 0.0 114.948 -176.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.483 ' O ' ' HA ' ' A' ' 1' ' ' MET . 29.5 mtpp -77.08 -38.47 52.4 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.183 1.393 . . . . 0.0 110.426 169.523 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.5 pp -144.5 170.21 8.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 125.103 1.361 . . . . 0.0 112.898 -178.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -124.45 143.41 50.65 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.058 1.343 . . . . 0.0 108.432 168.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.09 148.66 24.94 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 N-CA-C 115.227 1.565 . . . . 0.0 115.227 -169.529 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.5 m -139.53 150.64 45.34 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.34 1.456 . . . . 0.0 109.72 178.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.0 t -119.55 139.31 52.34 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.171 1.388 . . . . 0.0 112.014 175.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 14.8 p -153.43 -179.01 7.36 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.384 1.473 . . . . 0.0 112.657 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -154.62 167.05 32.49 Favored Glycine 0 C--O 1.223 -0.57 0 O-C-N 120.137 -1.602 . . . . 0.0 113.22 169.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.548 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -66.73 -16.59 64.35 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 118.034 0.917 . . . . 0.0 112.628 174.849 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -140.2 167.17 22.75 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.649 1.979 . . . . 0.0 109.51 169.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.9 p -115.3 153.41 31.0 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.483 1.513 . . . . 0.0 111.765 171.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.6 t -136.51 -90.37 0.27 Allowed 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.634 1.573 . . . . 0.0 109.969 174.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -158.35 151.17 22.44 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 127.893 2.477 . . . . 0.0 109.296 172.075 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.1 t -60.91 129.55 23.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 119.886 1.221 . . . . 0.0 108.73 169.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -70.47 125.54 92.03 Favored Pre-proline 0 CA--C 1.532 0.268 0 CA-C-O 118.961 -0.542 . . . . 0.0 110.166 -176.305 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -72.69 -25.12 17.64 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 CA-C-N 120.072 1.062 . . . . 0.0 112.246 -170.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 40.6 m -75.65 -28.04 58.61 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.418 -0.802 . . . . 0.0 111.651 176.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.29 -45.45 80.17 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 120.99 -1.069 . . . . 0.0 111.914 173.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.1 mt -58.85 -43.6 88.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 123.953 0.901 . . . . 0.0 110.67 176.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.21 -36.09 82.93 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.698 -0.626 . . . . 0.0 112.592 177.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 4.3 mmt -77.84 -30.42 51.01 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 125.014 1.325 . . . . 0.0 112.197 -179.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 87.1 mmm -74.44 -30.65 61.98 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.929 0.892 . . . . 0.0 111.12 169.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -70.86 -20.53 62.52 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.217 -0.927 . . . . 0.0 113.361 176.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -60.68 -31.86 71.1 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 120.254 1.388 . . . . 0.0 112.345 170.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.1 p -100.85 9.59 8.17 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 C-N-CA 126.428 1.891 . . . . 0.0 111.522 177.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.34 20.91 80.0 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 125.048 1.309 . . . . 0.0 115.155 173.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 77.5 mt -104.05 133.27 48.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 124.9 1.28 . . . . 0.0 110.265 -178.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -101.53 124.35 47.05 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.874 0.87 . . . . 0.0 111.697 178.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 32.5 pt -121.13 11.02 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 125.118 1.367 . . . . 0.0 112.947 170.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 98.6 p -69.07 -19.16 64.07 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 120.563 -1.336 . . . . 0.0 114.166 -175.084 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -76.62 -2.15 74.28 Favored Glycine 0 CA--C 1.54 1.633 0 C-N-CA 124.805 1.193 . . . . 0.0 114.744 171.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -97.6 159.2 15.07 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.222 1.409 . . . . 0.0 110.938 177.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.6 t -147.78 175.99 10.48 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 125.963 1.705 . . . . 0.0 108.563 170.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.7 p -88.09 130.74 34.92 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -173.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -138.05 143.5 39.8 Favored Pre-proline 0 CA--C 1.55 0.956 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 -173.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -83.86 144.22 10.88 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 123.582 2.855 . . . . 0.0 114.222 -171.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.9 tt -54.56 -33.6 27.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 127.487 2.315 . . . . 0.0 112.146 176.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -57.82 -27.3 63.04 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.429 1.492 . . . . 0.0 114.179 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.54 -13.18 35.11 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 179.524 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -97.07 171.16 8.65 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.899 1.28 . . . . 0.0 113.354 -170.056 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -124.53 86.68 2.6 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.2 1.4 . . . . 0.0 112.927 -169.742 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.53 -32.98 43.24 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -56.79 -25.36 55.31 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.163 1.385 . . . . 0.0 114.15 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -103.28 9.2 38.17 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.157 0.983 . . . . 0.0 113.608 177.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -110.39 97.74 7.12 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.204 1.002 . . . . 0.0 108.608 173.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -52.42 -35.25 51.53 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.469 0.707 . . . . 0.0 112.078 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 48.1 t -124.77 138.16 55.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 C-N-CA 124.719 1.208 . . . . 0.0 110.514 173.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 50.4 t -122.69 138.03 54.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 124.209 1.004 . . . . 0.0 109.893 171.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 24.3 mm -123.74 134.98 64.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 C-N-CA 124.532 1.133 . . . . 0.0 109.522 -178.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.9 t -104.16 138.96 39.89 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.494 0.718 . . . . 0.0 111.108 169.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.9 mp -132.59 45.78 2.71 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.681 1.592 . . . . 0.0 109.481 -177.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 37.8 m -113.4 -14.62 12.75 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 115.599 1.703 . . . . 0.0 115.599 -169.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 80.45 -164.24 47.2 Favored Glycine 0 CA--C 1.539 1.565 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 -168.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 92.1 m -65.37 159.33 24.33 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 121.622 0.725 . . . . 0.0 112.551 173.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 91.76 1.01 71.3 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 124.543 1.068 . . . . 0.0 115.31 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 82.1 t -131.5 129.57 62.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 125.558 1.543 . . . . 0.0 109.577 177.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -138.66 -0.24 1.96 Allowed 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 -178.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.0 mt 42.88 66.31 4.52 Favored Pre-proline 0 CA--C 1.554 1.117 0 C-N-CA 126.422 1.889 . . . . 0.0 115.081 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -50.39 -29.16 23.02 Favored 'Trans proline' 0 CA--C 1.554 1.507 0 C-N-CA 123.72 2.947 . . . . 0.0 119.168 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -76.51 -159.47 0.1 OUTLIER 'Trans proline' 0 CA--C 1.548 1.215 0 C-N-CA 122.778 2.319 . . . . 0.0 115.021 -176.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -52.91 -13.48 0.44 Allowed 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 126.22 1.808 . . . . 0.0 115.145 172.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -59.72 -16.08 24.57 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 126.208 1.803 . . . . 0.0 114.939 173.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 32.8 m -120.32 4.5 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 174.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 44.2 p -93.02 2.71 56.65 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.063 0.945 . . . . 0.0 113.258 176.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 -76.51 177.5 7.37 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.634 1.174 . . . . 0.0 111.921 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -64.69 -39.1 93.08 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 121.345 -0.847 . . . . 0.0 112.824 -169.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 26.5 mt -136.88 137.25 47.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 123.817 0.847 . . . . 0.0 110.243 172.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -126.49 134.61 50.87 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.501 1.12 . . . . 0.0 109.76 168.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -135.13 153.23 52.07 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.285 1.034 . . . . 0.0 111.493 175.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -122.36 119.17 30.28 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.565 0.746 . . . . 0.0 111.798 170.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 43.5 m0 -108.82 86.26 2.25 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.903 1.681 . . . . 0.0 109.858 -174.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -80.24 122.26 26.65 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.617 0.767 . . . . 0.0 110.673 -175.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 75.8 mt -143.42 172.63 12.51 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.66 1.584 . . . . 0.0 111.714 -175.088 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -56.53 168.52 0.56 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.355 1.462 . . . . 0.0 113.058 172.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -118.07 93.06 43.85 Favored Pre-proline 0 CA--C 1.542 0.658 0 C-N-CA 126.049 1.739 . . . . 0.0 110.522 -177.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -70.07 -14.54 35.24 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.464 2.776 . . . . 0.0 116.598 -169.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -58.94 99.77 0.06 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.809 1.644 . . . . 0.0 111.852 -175.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 86.21 14.92 65.58 Favored Glycine 0 CA--C 1.541 1.707 0 C-N-CA 124.408 1.004 . . . . 0.0 115.366 -176.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -88.91 -103.63 0.09 Allowed 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 118.787 1.293 . . . . 0.0 111.689 178.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 54.9 p -153.6 164.5 38.14 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 126.733 2.013 . . . . 0.0 110.189 177.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.8 mt -62.35 -37.65 86.49 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 122.0 -0.438 . . . . 0.0 112.169 177.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -65.91 -34.32 77.85 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.51 -0.744 . . . . 0.0 111.939 176.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 75.4 t -70.55 -35.8 63.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 O-C-N 120.963 -1.086 . . . . 0.0 111.431 172.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -61.34 -48.42 81.41 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.179 0.899 . . . . 0.0 111.108 170.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 45.4 mtp85 -59.57 -37.77 79.37 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.27 1.428 . . . . 0.0 112.393 177.014 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 53.5 m -63.69 -41.25 98.16 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.576 1.15 . . . . 0.0 112.036 176.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 75.7 t -72.46 -48.35 47.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 O-C-N 121.513 -0.742 . . . . 0.0 111.529 172.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 53.4 ttp180 -49.09 -51.34 32.25 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 126.511 1.924 . . . . 0.0 112.019 -178.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -61.43 -36.32 92.36 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 123.857 0.741 . . . . 0.0 113.859 -178.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -76.75 -47.15 22.62 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.615 -0.933 . . . . 0.0 111.432 177.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 39.0 t -57.07 -40.15 71.11 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 CA-C-N 119.322 0.964 . . . . 0.0 111.297 173.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 48.1 tttm -58.72 -55.82 30.19 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.545 1.138 . . . . 0.0 111.927 173.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -35.5 81.04 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 118.319 -0.848 . . . . 0.0 111.508 -177.493 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -61.11 -44.46 97.31 Favored 'General case' 0 C--N 1.34 0.185 0 CA-C-N 119.165 0.893 . . . . 0.0 110.81 175.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 39.2 t -61.29 -50.15 81.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-O 118.129 -0.939 . . . . 0.0 113.21 170.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -59.59 -34.2 72.44 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 120.836 1.653 . . . . 0.0 112.88 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.19 -26.46 60.29 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 176.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 55.5 tp -79.68 -48.76 13.15 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.405 1.082 . . . . 0.0 111.89 176.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 6.1 pt -64.03 -28.22 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 CA-C-N 119.578 1.081 . . . . 0.0 112.613 -176.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.14 -21.08 64.94 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 174.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -87.89 -44.46 11.04 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.214 1.406 . . . . 0.0 113.179 176.314 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.294 1.7 pp -105.75 4.05 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 N-CA-C 116.541 2.052 . . . . 0.0 116.541 -169.697 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--O 1.253 1.288 0 C-N-CA 124.023 0.929 . . . . 0.0 111.929 169.768 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.45 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 13.9 ttt . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 119.912 -0.089 . . . . 0.0 111.234 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -130.19 165.32 22.61 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 125.851 1.661 . . . . 0.0 111.239 170.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -105.64 140.95 37.92 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.95 1.3 . . . . 0.0 110.509 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.2 t -123.46 140.19 47.8 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 124.6 1.16 . . . . 0.0 109.751 177.274 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 4.2 tpp -133.35 135.58 44.83 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 123.763 0.825 . . . . 0.0 109.997 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -108.18 135.19 49.93 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 124.207 1.003 . . . . 0.0 111.504 -176.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.4 t -115.82 123.77 71.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 126.782 2.033 . . . . 0.0 109.495 173.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 48.0 t -122.15 165.25 16.42 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.57 1.148 . . . . 0.0 110.187 169.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -62.47 -40.4 96.54 Favored 'General case' 0 N--CA 1.484 1.255 0 O-C-N 120.675 -1.266 . . . . 0.0 113.308 -169.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.3 0.2 OUTLIER -127.22 12.16 7.06 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 116.135 1.902 . . . . 0.0 116.135 173.797 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 49.35 34.22 6.22 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 127.582 2.353 . . . . 0.0 116.001 -177.241 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.9 p -92.93 -38.75 11.52 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.776 1.23 . . . . 0.0 112.853 179.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.9 t -139.78 -177.0 4.77 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.793 1.637 . . . . 0.0 110.713 -176.358 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.5 mtm-85 57.31 -77.75 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 127.312 2.245 . . . . 0.0 114.077 -175.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 59.7 p -45.54 -44.95 13.12 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 126.373 1.869 . . . . 0.0 113.387 175.097 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -66.91 -38.33 86.03 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.391 1.476 . . . . 0.0 112.051 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 58.5 mtt -68.85 -36.22 77.88 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.276 1.03 . . . . 0.0 112.193 170.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.7 -41.06 98.18 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.447 0.699 . . . . 0.0 111.115 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -63.21 -39.67 95.28 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 122.867 0.467 . . . . 0.0 110.709 169.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.92 -45.89 85.31 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 124.935 1.255 . . . . 0.0 114.318 173.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -73.95 -46.58 43.19 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.121 1.461 . . . . 0.0 112.271 175.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.47 -34.93 79.42 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -176.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -63.34 -32.24 73.6 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 120.388 1.449 . . . . 0.0 113.118 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.0 m -90.21 -51.21 5.56 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 125.473 1.509 . . . . 0.0 112.334 179.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 68.9 mt -78.3 -23.89 46.92 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.12 0.968 . . . . 0.0 112.345 -175.271 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -104.72 10.29 48.9 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 126.915 2.198 . . . . 0.0 114.553 176.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.17 110.97 0.49 Allowed 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 119.78 1.79 . . . . 0.0 112.531 -177.495 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.99 -21.49 7.86 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.949 1.261 . . . . 0.0 114.435 -178.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 1' ' ' MET . 36.8 mtpt -73.61 -39.45 64.56 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.951 1.301 . . . . 0.0 110.928 169.654 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.5 pp -143.83 172.8 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 125.064 1.346 . . . . 0.0 112.808 -177.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.04 145.25 51.05 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.973 1.309 . . . . 0.0 108.922 168.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.13 149.55 24.69 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 N-CA-C 115.056 1.502 . . . . 0.0 115.056 -169.39 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.2 m -140.02 148.73 42.27 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.736 1.615 . . . . 0.0 109.924 178.003 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.8 t -119.32 139.35 52.08 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.254 1.422 . . . . 0.0 112.041 174.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 14.0 p -153.34 -177.5 6.37 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.635 1.574 . . . . 0.0 112.664 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -151.0 164.37 29.99 Favored Glycine 0 N--CA 1.467 0.72 0 O-C-N 120.48 -1.388 . . . . 0.0 112.13 170.106 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.56 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.7 OUTLIER -63.83 -15.28 58.43 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 118.725 1.263 . . . . 0.0 113.254 176.442 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -150.39 165.1 34.13 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 127.508 2.323 . . . . 0.0 108.366 168.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.7 t -121.81 150.0 42.52 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.193 0.997 . . . . 0.0 112.832 -170.022 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 87.8 p -137.39 -98.91 0.2 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.137 1.375 . . . . 0.0 111.772 173.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.68 152.13 26.72 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 127.892 2.477 . . . . 0.0 109.718 174.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.8 t -59.11 133.01 24.47 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 CA-C-N 119.737 1.153 . . . . 0.0 109.157 171.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -66.34 124.66 88.69 Favored Pre-proline 0 CA--C 1.531 0.243 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 174.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -67.63 -26.83 39.28 Favored 'Trans proline' 0 CA--C 1.539 0.764 0 CA-C-N 120.569 1.239 . . . . 0.0 111.884 -169.288 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 35.5 m -69.01 -28.81 66.93 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.458 -0.777 . . . . 0.0 112.168 173.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.46 -46.44 90.05 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 120.179 1.354 . . . . 0.0 111.462 174.084 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.1 mt -59.3 -45.95 92.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 123.787 0.835 . . . . 0.0 110.038 174.018 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.46 -35.52 77.86 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 178.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 10.7 mmt -75.62 -28.37 58.82 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.57 1.148 . . . . 0.0 112.089 178.296 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 81.9 mmm -74.49 -33.28 62.8 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.223 0.92 . . . . 0.0 111.372 169.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -65.63 -21.97 66.61 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 112.943 0.719 . . . . 0.0 112.943 175.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -64.02 -26.44 68.57 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 119.867 1.212 . . . . 0.0 112.609 170.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.0 t -86.94 -6.87 10.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.383 1.473 . . . . 0.0 111.338 175.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.38 16.18 77.27 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 124.382 0.992 . . . . 0.0 113.292 -169.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 54.2 mt -96.02 132.48 40.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 125.417 1.487 . . . . 0.0 109.515 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -100.11 123.04 43.88 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 -175.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.7 pt -130.25 13.89 2.24 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 C-N-CA 125.09 1.356 . . . . 0.0 113.612 169.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 52.5 p -63.82 -24.09 67.61 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 120.306 -1.496 . . . . 0.0 114.048 -172.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -78.92 0.59 77.77 Favored Glycine 0 CA--C 1.539 1.575 0 C-N-CA 125.098 1.332 . . . . 0.0 115.471 174.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -74.38 158.81 33.28 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 119.758 1.779 . . . . 0.0 111.693 176.073 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 26.5 p -144.75 163.23 34.65 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 128.998 2.919 . . . . 0.0 105.472 173.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.0 m -85.69 144.87 27.57 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 121.414 -0.804 . . . . 0.0 112.055 176.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -141.48 145.64 38.61 Favored Pre-proline 0 CA--C 1.552 1.023 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 177.356 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -86.69 149.05 8.58 Favored 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 124.026 3.151 . . . . 0.0 113.891 -175.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.1 tt -58.08 -35.45 52.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 126.563 1.945 . . . . 0.0 112.221 -178.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -63.92 -23.22 67.26 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 -175.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -85.14 -13.32 50.52 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 176.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -100.8 172.42 7.07 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.337 1.455 . . . . 0.0 113.693 -169.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -126.34 88.82 2.9 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.095 1.358 . . . . 0.0 113.169 -169.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.91 -32.24 52.8 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -57.05 -24.03 50.9 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.192 1.397 . . . . 0.0 113.941 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -107.79 12.01 27.7 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.148 0.979 . . . . 0.0 113.562 176.046 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -111.19 97.0 6.47 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 169.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -53.23 -34.03 55.39 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 122.909 0.483 . . . . 0.0 112.193 -177.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 44.7 t -122.54 137.73 55.07 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 C-N-CA 124.476 1.111 . . . . 0.0 110.693 171.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 45.6 t -120.84 138.56 50.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 123.988 0.915 . . . . 0.0 109.704 169.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 30.6 mm -125.1 130.36 73.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 124.583 1.153 . . . . 0.0 109.203 -177.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.7 t -99.01 144.47 28.12 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 123.686 0.795 . . . . 0.0 109.594 168.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 mp -137.17 44.28 2.3 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.932 1.693 . . . . 0.0 108.82 -178.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 60.6 m -110.77 -21.14 12.22 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 115.712 1.745 . . . . 0.0 115.712 -169.264 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 76.73 -157.41 47.36 Favored Glycine 0 CA--C 1.537 1.417 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -169.054 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 74.1 m -60.34 152.16 25.94 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 123.605 0.762 . . . . 0.0 112.73 175.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.89 -0.81 62.87 Favored Glycine 0 CA--C 1.538 1.492 0 N-CA-C 116.201 1.24 . . . . 0.0 116.201 177.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 57.3 t -134.63 127.8 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 CA-C-N 118.851 1.326 . . . . 0.0 110.725 -178.328 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -133.01 -6.14 3.09 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 115.327 1.603 . . . . 0.0 115.327 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 45.0 mt 44.7 59.63 13.48 Favored Pre-proline 0 CA--C 1.556 1.178 0 C-N-CA 126.074 1.75 . . . . 0.0 115.242 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -58.1 -17.6 32.48 Favored 'Trans proline' 0 CA--C 1.558 1.717 0 N-CA-C 119.086 2.687 . . . . 0.0 119.086 -177.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo -76.73 -158.85 0.09 OUTLIER 'Trans proline' 0 CA--C 1.55 1.302 0 CA-C-N 123.887 2.424 . . . . 0.0 114.143 177.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -52.35 -13.3 0.33 Allowed 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 126.045 1.738 . . . . 0.0 115.366 171.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -61.96 -14.6 36.44 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.811 1.644 . . . . 0.0 114.889 175.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 34.2 m -120.75 4.88 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 174.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 51.0 p -94.69 4.42 53.85 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.167 0.987 . . . . 0.0 113.327 178.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 -78.59 -177.12 5.18 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.856 1.262 . . . . 0.0 112.339 -178.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -64.86 -40.95 95.95 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 121.033 -1.042 . . . . 0.0 112.163 -170.21 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 42.1 mt -138.08 140.37 40.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 124.746 1.219 . . . . 0.0 109.874 172.463 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -128.79 136.96 51.23 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.308 1.043 . . . . 0.0 109.768 168.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -136.11 155.83 49.61 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.838 1.255 . . . . 0.0 111.601 176.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -128.67 102.39 6.56 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.293 1.037 . . . . 0.0 110.885 175.115 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 37.2 m0 -89.57 89.46 7.84 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.627 1.571 . . . . 0.0 110.379 -177.246 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -80.41 90.9 5.64 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.79 0.836 . . . . 0.0 110.231 -176.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 60.5 mt -109.35 173.46 6.31 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.488 1.515 . . . . 0.0 111.897 -177.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 25.7 mp0 -63.56 166.48 6.71 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.718 1.607 . . . . 0.0 111.479 174.104 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -118.18 97.66 50.9 Favored Pre-proline 0 CA--C 1.545 0.751 0 C-N-CA 124.926 1.29 . . . . 0.0 111.147 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -72.44 -15.62 27.79 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 123.766 2.977 . . . . 0.0 116.346 -170.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -56.38 106.12 0.26 Allowed 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.121 1.368 . . . . 0.0 111.721 -177.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 82.64 13.67 77.61 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 124.31 0.957 . . . . 0.0 115.133 -177.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -90.62 -103.96 0.1 Allowed 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.56 1.144 . . . . 0.0 111.258 178.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.5 m -159.98 162.17 34.28 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 127.153 2.181 . . . . 0.0 109.839 177.178 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.3 mp -68.0 -29.62 68.68 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 120.872 -1.142 . . . . 0.0 112.142 -173.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.9 -29.94 70.54 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 120.711 -1.243 . . . . 0.0 112.951 170.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 99.3 t -77.47 -38.25 26.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.815 0.846 . . . . 0.0 110.883 174.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -60.03 -44.99 94.25 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.199 0.909 . . . . 0.0 111.343 169.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 74.1 mtt180 -63.38 -39.33 94.23 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.422 1.089 . . . . 0.0 111.879 177.048 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 47.8 m -61.4 -42.84 99.38 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.049 0.94 . . . . 0.0 111.711 174.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 55.7 t -69.04 -47.65 74.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 O-C-N 121.131 -0.981 . . . . 0.0 112.016 173.147 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 -51.53 -48.24 63.09 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.789 1.636 . . . . 0.0 112.141 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -61.25 -38.48 95.73 Favored Glycine 0 CA--C 1.533 1.209 0 C-N-CA 123.643 0.64 . . . . 0.0 113.224 178.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -72.83 -45.62 57.42 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 117.976 0.888 . . . . 0.0 111.701 177.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 58.8 t -56.57 -44.65 81.34 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 O-C-N 120.935 -1.103 . . . . 0.0 111.305 173.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 39.3 tttm -57.63 -53.65 55.77 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.189 0.996 . . . . 0.0 111.31 174.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -65.21 -36.83 85.39 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 118.695 -0.669 . . . . 0.0 112.25 -175.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 28.5 mmm180 -64.46 -43.3 94.65 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.461 1.028 . . . . 0.0 111.043 174.347 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 19.5 t -59.73 -50.98 78.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 CA-C-N 119.661 1.119 . . . . 0.0 113.211 171.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -59.51 -35.77 74.8 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 120.624 1.556 . . . . 0.0 112.738 178.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.72 -29.26 62.15 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 177.784 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 47.8 tp -75.73 -51.21 13.2 Favored 'General case' 0 C--O 1.227 -0.104 0 C-N-CA 123.905 0.882 . . . . 0.0 111.473 177.097 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.7 pt -61.46 -33.73 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-N 119.536 1.062 . . . . 0.0 111.894 -174.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.87 -21.0 66.72 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 175.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -85.68 -38.33 18.45 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.232 1.413 . . . . 0.0 113.372 175.097 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.0 pp -111.48 -0.93 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 N-CA-C 116.339 1.977 . . . . 0.0 116.339 -169.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 57.2 m . . . . . 0 C--O 1.254 1.29 0 C-N-CA 124.136 0.975 . . . . 0.0 112.584 174.279 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.46 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 15.4 ttt . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 119.878 -0.106 . . . . 0.0 111.225 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 53.6 mttp -128.74 166.69 18.5 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 126.002 1.721 . . . . 0.0 111.051 169.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.442 ' HE2' ' O ' ' A' ' 72' ' ' ASP . 1.6 mppt? -109.59 140.57 43.24 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.45 1.1 . . . . 0.0 111.435 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.3 t -122.75 141.43 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 124.166 0.986 . . . . 0.0 109.991 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 8.6 tpp -131.42 135.45 47.17 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.905 0.882 . . . . 0.0 110.518 177.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -111.64 115.48 29.19 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 125.008 1.323 . . . . 0.0 111.492 -177.028 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.509 HG21 HD12 ' A' ' 65' ' ' ILE . 2.5 t -95.3 130.88 43.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 126.273 1.829 . . . . 0.0 110.908 172.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.7 t -127.93 175.17 8.57 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.166 1.386 . . . . 0.0 109.14 169.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp -64.03 -54.39 34.94 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 120.716 -1.24 . . . . 0.0 111.868 -175.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.319 0.3 OUTLIER -116.83 7.66 13.4 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 116.85 2.167 . . . . 0.0 116.85 176.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 52.01 36.06 17.69 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 127.079 2.152 . . . . 0.0 114.279 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.6 p -95.14 -43.75 7.96 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.325 1.45 . . . . 0.0 112.28 178.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.5 t -132.48 -176.11 3.98 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.395 1.878 . . . . 0.0 110.51 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.0 mtt180 56.71 -80.01 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 127.103 2.161 . . . . 0.0 113.251 -171.189 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.9 p -51.65 -40.26 59.67 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 127.238 2.215 . . . . 0.0 114.175 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -69.27 -35.52 76.15 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.438 0.695 . . . . 0.0 111.78 178.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 48.1 mtt -69.59 -38.02 77.17 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.94 0.896 . . . . 0.0 111.615 171.186 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.45 -40.95 96.36 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.305 0.642 . . . . 0.0 111.692 177.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 62.8 tt0 -61.8 -41.91 98.34 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.843 0.857 . . . . 0.0 111.729 170.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.92 -46.94 93.24 Favored Glycine 0 CA--C 1.531 1.051 0 C-N-CA 124.036 0.827 . . . . 0.0 114.517 174.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -69.39 -47.69 63.43 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.083 1.441 . . . . 0.0 111.68 176.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.26 -37.48 85.59 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 118.4 -0.809 . . . . 0.0 113.041 -176.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -66.15 -28.39 68.75 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 120.267 1.394 . . . . 0.0 112.922 177.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.9 m -86.3 -52.41 5.64 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.172 1.389 . . . . 0.0 112.376 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 69.2 mt -83.94 -24.66 30.59 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.303 1.441 . . . . 0.0 112.259 -173.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -100.34 9.66 59.35 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 126.707 2.098 . . . . 0.0 114.558 174.235 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.99 112.17 0.63 Allowed 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 119.668 1.734 . . . . 0.0 112.736 -179.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.3 -21.56 8.36 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 125.116 1.341 . . . . 0.0 114.548 -178.503 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.46 ' O ' ' HA ' ' A' ' 1' ' ' MET . 31.2 mtpt -75.03 -39.18 61.2 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.983 1.313 . . . . 0.0 111.126 169.637 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.4 pp -144.44 172.62 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 125.316 1.447 . . . . 0.0 112.72 -176.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.06 144.59 51.11 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.901 1.281 . . . . 0.0 108.715 168.293 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.32 152.72 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 N-CA-C 115.094 1.516 . . . . 0.0 115.094 -169.406 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.1 m -146.44 153.15 40.12 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.154 1.781 . . . . 0.0 108.907 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 89.8 p -126.1 149.4 48.95 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.075 -1.016 . . . . 0.0 111.636 169.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 14.5 p -152.34 -174.54 4.93 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.802 1.241 . . . . 0.0 110.527 176.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -149.36 166.81 29.61 Favored Glycine 0 C--O 1.225 -0.453 0 O-C-N 120.334 -1.479 . . . . 0.0 113.249 169.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.567 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -65.79 -11.95 50.23 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 121.741 -0.858 . . . . 0.0 112.54 170.11 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -140.08 164.63 29.52 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 127.799 2.439 . . . . 0.0 108.179 169.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 62.7 p -132.61 140.84 48.4 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.214 1.006 . . . . 0.0 111.481 176.147 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 25.0 t -133.32 -96.33 0.3 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.562 0.745 . . . . 0.0 111.587 174.165 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.85 155.95 40.95 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.414 1.486 . . . . 0.0 110.597 171.217 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.4 t -59.1 132.51 24.16 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 CA-C-N 119.865 1.212 . . . . 0.0 108.685 170.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 53.4 t-80 -65.23 124.99 88.45 Favored Pre-proline 0 N--CA 1.464 0.229 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 177.318 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -70.96 -20.45 29.16 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 CA-C-N 120.329 1.153 . . . . 0.0 112.172 -169.074 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.4 m -72.24 -26.45 62.01 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 121.12 -0.987 . . . . 0.0 111.889 171.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.39 -38.35 89.3 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 120.567 -1.333 . . . . 0.0 111.985 174.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -56.44 -47.42 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 172.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.16 -38.44 90.56 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 121.176 0.512 . . . . 0.0 112.377 -178.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 12.1 mmt -72.74 -28.1 62.43 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 124.588 1.155 . . . . 0.0 112.719 178.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 84.3 mmm -77.97 -31.35 50.74 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 119.27 0.941 . . . . 0.0 111.265 169.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -67.53 -24.74 65.59 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 120.981 -1.074 . . . . 0.0 112.869 174.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -59.18 -31.33 68.91 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.838 1.199 . . . . 0.0 112.628 172.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.1 m -101.98 10.56 8.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.616 1.566 . . . . 0.0 112.693 177.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.51 23.04 78.52 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 124.795 1.188 . . . . 0.0 115.12 176.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 64.4 mt -110.08 141.33 25.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 125.672 1.589 . . . . 0.0 109.75 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -104.13 136.41 43.81 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.446 1.098 . . . . 0.0 112.317 178.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.7 pt -130.57 11.29 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 124.171 0.988 . . . . 0.0 111.664 169.004 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.7 m -66.08 -26.77 67.64 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.348 1.459 . . . . 0.0 113.412 -171.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.44 -0.71 89.5 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 125.009 1.29 . . . . 0.0 114.715 175.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -89.22 161.13 16.6 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 119.024 1.412 . . . . 0.0 110.743 176.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 25.7 p -145.76 163.64 34.35 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 128.58 2.752 . . . . 0.0 105.489 -179.302 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.9 m -83.26 138.37 33.61 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 121.471 -0.768 . . . . 0.0 111.997 178.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -136.43 148.24 63.21 Favored Pre-proline 0 N--CA 1.478 0.954 0 C-N-CA 124.095 0.958 . . . . 0.0 113.559 178.317 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -88.42 143.62 5.5 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 123.316 2.677 . . . . 0.0 113.207 -176.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.509 HD12 HG21 ' A' ' 7' ' ' VAL . 8.3 tt -57.17 -34.8 46.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 126.021 1.728 . . . . 0.0 111.993 176.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -58.99 -23.7 62.07 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.953 1.301 . . . . 0.0 114.404 -177.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.36 -15.18 33.92 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 178.78 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -99.37 174.59 6.21 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.47 1.108 . . . . 0.0 113.935 -169.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.9 100.75 8.89 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.309 1.844 . . . . 0.0 112.023 -175.131 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.73 -35.77 61.56 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.265 -0.897 . . . . 0.0 112.343 174.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -60.92 -31.15 70.68 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.599 1.56 . . . . 0.0 114.457 -172.147 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.442 ' O ' ' HE2' ' A' ' 3' ' ' LYS . 32.4 t70 -85.2 -29.53 24.62 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 179.369 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -79.26 92.28 5.1 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 121.439 -0.788 . . . . 0.0 109.396 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -48.0 -34.88 9.99 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.961 1.304 . . . . 0.0 112.144 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 52.7 t -124.93 137.85 56.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 C-N-CA 124.449 1.1 . . . . 0.0 110.692 172.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.1 t -122.87 136.1 60.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 123.8 0.84 . . . . 0.0 110.101 171.225 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 24.7 mm -121.5 128.52 75.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 124.655 1.182 . . . . 0.0 108.56 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.9 t -98.68 144.37 28.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 118.685 0.675 . . . . 0.0 109.414 168.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.3 mp -131.09 43.75 3.05 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 125.874 1.67 . . . . 0.0 108.964 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 50.0 m -117.51 116.73 27.71 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.434 1.894 . . . . 0.0 110.981 -172.351 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -65.5 98.1 0.31 Allowed Glycine 0 CA--C 1.538 1.495 0 C-N-CA 124.716 1.15 . . . . 0.0 115.019 -178.263 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 12.1 t 61.33 -38.16 0.11 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 129.733 3.213 . . . . 0.0 118.973 169.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -72.59 8.97 6.54 Favored Glycine 0 CA--C 1.539 1.582 0 C-N-CA 125.227 1.394 . . . . 0.0 116.084 -176.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 59.7 t -140.74 140.42 33.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 126.309 1.844 . . . . 0.0 111.251 -169.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -137.27 -2.76 2.0 Favored 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 115.949 1.833 . . . . 0.0 115.949 177.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.1 mt 42.43 64.98 5.49 Favored Pre-proline 0 CA--C 1.558 1.269 0 C-N-CA 126.103 1.761 . . . . 0.0 114.662 -173.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -51.58 -29.05 30.98 Favored 'Trans proline' 0 CA--C 1.554 1.504 0 C-N-CA 123.451 2.767 . . . . 0.0 119.036 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -75.87 -160.42 0.11 Allowed 'Trans proline' 0 CA--C 1.547 1.162 0 C-N-CA 122.694 2.263 . . . . 0.0 114.773 -176.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -61.43 -6.32 2.24 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 119.998 -1.689 . . . . 0.0 114.785 176.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -59.49 -16.85 27.0 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 120.159 -1.588 . . . . 0.0 114.783 171.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 34.9 m -113.8 0.58 8.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 124.774 1.23 . . . . 0.0 114.012 174.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 42.9 p -96.43 7.08 47.37 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.647 1.179 . . . . 0.0 113.229 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -75.98 -179.52 4.95 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.097 1.359 . . . . 0.0 111.832 177.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -62.92 -40.22 96.96 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 121.121 -0.987 . . . . 0.0 112.163 -170.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 39.3 mt -137.67 139.04 43.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 124.681 1.192 . . . . 0.0 109.873 170.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -128.75 136.04 50.03 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.21 1.004 . . . . 0.0 110.02 168.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -136.15 156.88 48.05 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.393 1.077 . . . . 0.0 111.928 177.214 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -127.4 103.4 7.35 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.593 1.157 . . . . 0.0 111.222 177.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 37.8 m0 -101.25 82.3 2.32 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.168 1.787 . . . . 0.0 111.001 -175.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -74.74 126.43 30.88 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 121.614 -0.679 . . . . 0.0 111.145 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 72.2 mt -141.51 172.35 12.81 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.301 1.84 . . . . 0.0 110.887 -176.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -59.56 170.21 1.11 Allowed 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.094 1.358 . . . . 0.0 113.358 173.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -113.49 93.97 29.78 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 126.142 1.777 . . . . 0.0 110.13 175.029 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -68.88 -15.87 40.76 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 123.387 2.725 . . . . 0.0 115.958 -173.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -54.88 108.21 0.37 Allowed 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.99 1.316 . . . . 0.0 111.925 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 80.47 13.48 81.61 Favored Glycine 0 CA--C 1.539 1.55 0 C-N-CA 124.242 0.925 . . . . 0.0 114.69 -178.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -91.24 -102.1 0.11 Allowed 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 118.587 1.193 . . . . 0.0 110.89 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 88.9 p -161.24 162.01 30.99 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 126.52 1.928 . . . . 0.0 110.496 -178.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 75.0 mt -64.69 -35.99 82.81 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.476 -0.765 . . . . 0.0 112.371 -178.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.27 -31.08 72.14 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 173.026 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 71.3 t -75.02 -39.29 44.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 O-C-N 120.853 -1.154 . . . . 0.0 111.569 172.332 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -58.82 -46.04 88.57 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.497 1.044 . . . . 0.0 111.334 169.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 58.7 mtp85 -61.57 -39.55 91.53 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.75 1.22 . . . . 0.0 112.117 176.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 46.3 m -61.26 -41.18 96.47 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.345 1.058 . . . . 0.0 112.261 175.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 53.6 t -70.46 -50.23 47.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 O-C-N 121.512 -0.743 . . . . 0.0 111.411 172.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -52.57 -47.31 66.92 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.74 1.616 . . . . 0.0 112.585 -176.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -62.01 -37.73 94.91 Favored Glycine 0 N--CA 1.474 1.185 0 C-N-CA 123.407 0.527 . . . . 0.0 113.24 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -76.14 -41.25 50.59 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.718 -0.872 . . . . 0.0 111.888 178.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 65.8 t -57.61 -46.09 86.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 O-C-N 121.257 -0.902 . . . . 0.0 111.342 170.195 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 38.0 tttm -57.04 -55.83 29.65 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.109 0.963 . . . . 0.0 111.28 175.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -63.94 -36.89 85.43 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 118.762 -0.637 . . . . 0.0 112.096 -174.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 38.6 mtt180 -68.33 -37.47 80.59 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 117.76 -1.114 . . . . 0.0 111.7 175.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 15.3 t -61.19 -50.44 80.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-N 120.013 1.279 . . . . 0.0 112.584 169.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -60.05 -35.73 75.76 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 120.658 1.572 . . . . 0.0 112.773 178.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.55 -30.62 64.59 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 177.261 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 48.0 tp -75.17 -51.3 13.74 Favored 'General case' 0 C--O 1.226 -0.157 0 C-N-CA 123.856 0.862 . . . . 0.0 111.521 177.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.9 pt -61.11 -33.91 58.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 CA-C-N 119.663 1.119 . . . . 0.0 111.985 -175.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.1 -21.73 66.65 Favored 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 175.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -85.62 -39.3 17.47 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.931 1.292 . . . . 0.0 113.167 175.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.0 pp -110.97 0.15 9.37 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 N-CA-C 116.551 2.056 . . . . 0.0 116.551 -169.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.9 m . . . . . 0 C--O 1.254 1.314 0 C-N-CA 124.017 0.927 . . . . 0.0 112.305 173.735 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.3 ttm . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 111.347 0.128 . . . . 0.0 111.347 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -128.79 164.79 22.26 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 126.35 1.86 . . . . 0.0 110.0 169.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.413 ' HE2' ' O ' ' A' ' 72' ' ' ASP . 1.5 mppt? -110.32 141.16 43.72 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.469 1.108 . . . . 0.0 111.5 -174.026 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.0 t -121.89 139.42 48.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.136 0.974 . . . . 0.0 109.914 177.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 5.4 tpp -129.88 132.1 46.3 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 124.026 0.93 . . . . 0.0 110.163 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -110.21 112.3 24.18 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.405 1.082 . . . . 0.0 111.718 -174.357 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.6 t -89.81 137.49 21.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 125.901 1.681 . . . . 0.0 111.136 170.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 36.8 t -132.52 176.58 8.31 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.032 1.733 . . . . 0.0 107.192 168.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.0 ttpp -63.89 -59.63 4.28 Favored 'General case' 0 N--CA 1.483 1.176 0 O-C-N 120.298 -1.501 . . . . 0.0 110.36 178.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.296 0.3 OUTLIER -114.05 3.04 15.15 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 117.316 2.339 . . . . 0.0 117.316 -178.052 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 53.32 31.78 12.45 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 126.585 1.954 . . . . 0.0 115.201 176.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.6 p -85.96 -36.09 20.04 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.444 1.498 . . . . 0.0 112.509 170.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.6 p -142.25 175.62 9.62 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.678 1.991 . . . . 0.0 111.242 -169.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 96.7 mtm-85 55.86 -76.36 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 127.272 2.229 . . . . 0.0 114.236 -173.15 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.4 p -50.23 -39.94 46.12 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 126.06 1.744 . . . . 0.0 113.892 177.185 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 43.0 mm-40 -67.67 -37.12 81.91 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.774 0.829 . . . . 0.0 112.293 176.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.5 mtt -69.44 -38.48 77.82 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.014 0.925 . . . . 0.0 111.897 171.117 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.31 -41.29 96.74 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 119.125 0.875 . . . . 0.0 111.424 178.403 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 73.2 tt0 -61.69 -41.77 98.03 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.338 0.655 . . . . 0.0 111.2 169.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.56 -44.95 97.3 Favored Glycine 0 N--CA 1.475 1.298 0 C-N-CA 124.659 1.123 . . . . 0.0 115.679 175.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -67.17 -47.53 70.68 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 121.12 -1.223 . . . . 0.0 110.747 174.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.7 -42.12 86.94 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.493 -0.755 . . . . 0.0 112.935 -177.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.6 ptmm? -62.83 -24.38 67.74 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 119.394 0.997 . . . . 0.0 113.387 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.0 m -91.24 -52.48 4.79 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.518 1.527 . . . . 0.0 112.478 176.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.3 mt -81.52 -28.87 33.79 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.431 1.093 . . . . 0.0 112.284 -170.222 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -101.52 14.46 57.87 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 126.601 2.048 . . . . 0.0 114.283 173.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.24 113.25 1.07 Allowed 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 118.653 1.227 . . . . 0.0 113.032 -173.126 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.34 -5.67 82.45 Favored Glycine 0 N--CA 1.474 1.167 0 C-N-CA 124.054 0.835 . . . . 0.0 114.762 175.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -105.83 -27.75 11.05 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.368 1.467 . . . . 0.0 112.745 169.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 pp -128.69 172.87 14.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 123.536 0.734 . . . . 0.0 112.62 170.054 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -132.69 143.42 49.62 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.613 1.165 . . . . 0.0 109.353 169.062 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -139.72 151.83 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 N-CA-C 115.158 1.54 . . . . 0.0 115.158 -169.366 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.9 m -145.18 153.05 40.94 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.925 1.69 . . . . 0.0 109.31 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 93.4 p -128.55 151.16 49.77 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 120.768 -1.208 . . . . 0.0 112.105 169.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 19.1 p -154.31 -177.91 6.77 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.943 1.297 . . . . 0.0 110.696 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -148.71 167.49 29.27 Favored Glycine 0 N--CA 1.464 0.508 0 O-C-N 120.336 -1.478 . . . . 0.0 112.818 169.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.472 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.3 OUTLIER -66.53 -11.33 52.27 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 118.369 1.084 . . . . 0.0 112.979 175.47 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -148.17 172.85 13.66 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 127.688 2.395 . . . . 0.0 108.679 168.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.2 p -125.94 138.11 53.75 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.405 1.082 . . . . 0.0 112.333 -177.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.0 t -117.38 -130.73 0.31 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.265 1.826 . . . . 0.0 109.2 173.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.412 ' H ' ' HD3' ' A' ' 41' ' ' ARG . 0.1 OUTLIER -118.67 146.72 44.47 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 127.826 2.45 . . . . 0.0 109.081 170.748 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.78 129.21 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 CA-C-N 119.193 0.906 . . . . 0.0 108.664 169.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -72.88 129.45 86.58 Favored Pre-proline 0 CA--C 1.536 0.413 0 O-C-N 121.747 -0.596 . . . . 0.0 110.831 -171.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.61 -27.77 18.19 Favored 'Trans proline' 0 CA--C 1.536 0.591 0 CA-C-N 120.163 1.094 . . . . 0.0 112.184 -170.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.3 m -74.09 -28.55 61.42 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.433 -0.792 . . . . 0.0 111.658 175.27 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.61 -46.11 84.49 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 120.852 -1.155 . . . . 0.0 112.251 172.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.4 mt -60.2 -46.52 94.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 123.795 0.838 . . . . 0.0 110.063 175.442 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.61 -39.61 88.81 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 178.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 12.5 mmt -75.16 -23.87 57.84 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.139 1.375 . . . . 0.0 112.382 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -78.24 -36.06 47.48 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.329 1.052 . . . . 0.0 110.308 169.231 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -68.47 -25.44 64.99 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.01 -1.056 . . . . 0.0 113.095 178.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -59.67 -29.14 67.86 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 119.535 1.061 . . . . 0.0 112.882 171.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.4 m -102.48 12.47 7.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 125.295 1.438 . . . . 0.0 112.618 175.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.88 19.83 79.61 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 125.15 1.357 . . . . 0.0 115.118 177.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 52.1 mt -100.99 139.64 21.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 125.454 1.501 . . . . 0.0 109.953 -178.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -114.45 120.41 40.18 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.267 1.027 . . . . 0.0 111.689 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 34.9 pt -119.71 11.83 6.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.42 1.488 . . . . 0.0 113.012 170.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 89.8 p -65.77 -20.08 66.13 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 120.622 -1.299 . . . . 0.0 114.276 -173.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -79.38 -2.51 87.72 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 124.689 1.138 . . . . 0.0 115.151 172.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -93.1 156.66 16.73 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 119.017 1.409 . . . . 0.0 110.778 178.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 34.6 p -143.87 164.83 29.43 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 127.754 2.422 . . . . 0.0 105.893 177.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.1 m -79.28 134.16 36.64 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.285 -0.885 . . . . 0.0 111.726 179.084 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -136.57 147.51 60.03 Favored Pre-proline 0 N--CA 1.482 1.151 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -179.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -86.95 145.39 7.56 Favored 'Trans proline' 0 CA--C 1.542 0.875 0 C-N-CA 123.543 2.829 . . . . 0.0 114.216 -173.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 8.5 tt -57.44 -34.48 46.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 126.792 2.037 . . . . 0.0 112.095 178.227 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -61.35 -23.15 65.55 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 -177.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.51 -12.52 39.77 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 177.509 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -98.63 170.61 8.67 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.883 1.273 . . . . 0.0 113.963 -169.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -120.54 87.69 2.8 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.25 1.42 . . . . 0.0 113.096 -169.615 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.37 -35.05 26.36 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -59.24 -26.96 65.33 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.148 1.379 . . . . 0.0 114.178 -176.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.413 ' O ' ' HE2' ' A' ' 3' ' ' LYS . 33.2 t70 -85.95 -28.12 24.48 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 176.497 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -81.35 93.94 6.67 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 121.524 -0.735 . . . . 0.0 109.434 -174.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -48.49 -34.43 11.16 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.417 1.087 . . . . 0.0 111.853 177.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 45.5 t -127.03 137.92 56.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 C-N-CA 124.217 1.007 . . . . 0.0 110.912 172.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 52.5 t -122.76 136.7 58.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 123.858 0.863 . . . . 0.0 110.068 170.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 28.4 mm -121.85 135.5 61.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 C-N-CA 124.518 1.127 . . . . 0.0 109.117 -179.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.5 t -102.34 140.31 36.79 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 124.041 0.937 . . . . 0.0 109.933 169.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.3 mp -135.84 45.01 2.44 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.033 1.733 . . . . 0.0 109.007 -179.118 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 79.3 m -97.37 -18.56 19.04 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 -169.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.3 48.48 10.86 Favored Glycine 0 CA--C 1.537 1.415 0 CA-C-N 118.641 0.655 . . . . 0.0 113.119 -176.403 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 3.9 t 61.94 -173.36 0.14 Allowed 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 125.364 1.466 . . . . 0.0 112.426 -169.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 74.38 2.78 64.09 Favored Glycine 0 CA--C 1.537 1.445 0 C-N-CA 124.666 1.126 . . . . 0.0 115.124 -174.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 61.4 t -143.73 136.75 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 126.4 1.88 . . . . 0.0 109.753 -171.314 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -137.97 1.23 2.25 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 115.726 1.75 . . . . 0.0 115.726 178.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 51.5 mt 42.95 61.37 9.62 Favored Pre-proline 0 CA--C 1.556 1.194 0 C-N-CA 126.0 1.72 . . . . 0.0 114.508 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -58.48 -17.05 32.3 Favored 'Trans proline' 0 CA--C 1.555 1.571 0 N-CA-C 118.874 2.605 . . . . 0.0 118.874 -177.52 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_exo -75.88 -159.5 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 CA-C-N 123.86 2.414 . . . . 0.0 114.156 175.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -58.6 -11.65 3.26 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 120.143 -1.598 . . . . 0.0 115.225 176.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 79.8 m95 -57.11 -20.68 27.02 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.765 2.026 . . . . 0.0 115.671 177.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 17.6 m -109.01 -12.6 10.96 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 -178.365 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.0 t -97.66 16.99 18.89 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-O 122.356 1.074 . . . . 0.0 112.707 -179.261 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -72.69 176.21 5.73 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.267 1.027 . . . . 0.0 110.31 169.232 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -63.01 -36.57 83.98 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 120.799 -1.188 . . . . 0.0 112.975 -169.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 34.9 mt -136.96 138.01 46.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 124.186 0.994 . . . . 0.0 109.948 169.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -127.97 135.7 50.29 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.411 1.084 . . . . 0.0 109.982 168.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -136.0 156.61 48.48 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.534 1.134 . . . . 0.0 111.812 176.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -128.04 104.12 7.61 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.704 1.202 . . . . 0.0 111.032 176.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 34.7 m0 -96.38 86.06 4.09 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.746 1.618 . . . . 0.0 110.456 -177.021 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -76.5 114.46 15.25 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.599 -0.688 . . . . 0.0 110.345 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 79.2 mt -136.37 171.83 13.9 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 126.324 1.85 . . . . 0.0 111.507 -177.043 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 21.9 mp0 -59.66 167.77 1.93 Allowed 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.87 2.068 . . . . 0.0 112.55 175.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -118.6 92.32 43.71 Favored Pre-proline 0 CA--C 1.545 0.788 0 C-N-CA 125.265 1.426 . . . . 0.0 111.666 -177.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -71.57 -17.92 29.59 Favored 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 123.764 2.976 . . . . 0.0 116.463 -170.068 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -56.31 101.1 0.05 OUTLIER 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 126.056 1.742 . . . . 0.0 111.412 -177.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 86.62 14.09 66.22 Favored Glycine 0 CA--C 1.54 1.656 0 C-N-CA 124.443 1.02 . . . . 0.0 115.415 -177.38 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -90.84 -106.69 0.1 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.115 1.366 . . . . 0.0 111.003 177.053 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.6 t -155.57 167.56 29.97 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 126.144 1.778 . . . . 0.0 110.172 173.082 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.0 mp -66.98 -31.44 72.01 Favored 'General case' 0 C--O 1.222 -0.381 0 C-N-CA 124.309 1.043 . . . . 0.0 112.114 -174.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -61.87 -35.06 77.19 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.17 -0.956 . . . . 0.0 111.874 171.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 87.6 t -74.21 -37.53 46.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 123.52 0.728 . . . . 0.0 110.903 175.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -60.83 -49.09 78.9 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 119.092 0.86 . . . . 0.0 111.355 170.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -59.28 -39.35 82.64 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.524 1.13 . . . . 0.0 111.642 177.312 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 58.7 m -65.65 -38.93 90.74 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.419 0.687 . . . . 0.0 112.336 178.109 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 38.4 t -67.46 -46.67 82.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 O-C-N 121.284 -0.885 . . . . 0.0 111.36 169.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.62 -44.49 73.19 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.392 1.077 . . . . 0.0 112.496 -176.124 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -61.11 -37.72 94.4 Favored Glycine 0 CA--C 1.533 1.206 0 CA-C-N 118.044 0.383 . . . . 0.0 112.773 -179.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -79.11 -45.98 18.95 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.261 0.624 . . . . 0.0 111.481 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 48.2 t -55.97 -43.43 75.01 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 O-C-N 120.95 -1.094 . . . . 0.0 111.155 172.185 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 41.9 tttm -58.43 -54.33 48.28 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.557 1.143 . . . . 0.0 111.666 173.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -64.89 -36.63 84.98 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 118.88 0.764 . . . . 0.0 112.242 -174.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 28.9 mmm180 -64.09 -42.77 96.81 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 118.11 -0.948 . . . . 0.0 111.172 173.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 20.9 t -60.54 -51.16 76.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 CA-C-O 117.854 -1.07 . . . . 0.0 113.039 171.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -59.26 -35.58 73.97 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 120.745 1.611 . . . . 0.0 112.631 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.11 -27.3 61.62 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 177.612 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 47.0 tp -80.93 -49.02 11.51 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 124.257 1.023 . . . . 0.0 111.963 178.342 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 10.9 pt -64.1 -28.59 45.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 CA-C-N 119.1 0.864 . . . . 0.0 112.645 -175.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.0 -19.43 63.33 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 174.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -88.13 -44.24 11.06 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.974 1.31 . . . . 0.0 112.728 174.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.286 1.3 pp -100.36 -3.18 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 N-CA-C 116.822 2.156 . . . . 0.0 116.822 -169.65 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 66.7 p . . . . . 0 C--O 1.253 1.254 0 CA-C-N 120.192 1.36 . . . . 0.0 114.012 177.153 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.418 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 10.7 ttt . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 111.433 0.16 . . . . 0.0 111.433 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -130.52 164.94 23.76 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 125.76 1.624 . . . . 0.0 110.894 170.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -108.78 141.34 40.92 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.549 1.14 . . . . 0.0 112.054 -176.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.5 t -121.91 141.14 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 124.626 1.17 . . . . 0.0 109.75 179.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.7 tpp -131.28 134.36 46.32 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.69 0.796 . . . . 0.0 110.418 178.257 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -105.36 130.82 53.39 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 124.584 1.154 . . . . 0.0 111.098 -177.438 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.465 HG21 HD12 ' A' ' 65' ' ' ILE . 3.5 t -113.14 134.71 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 126.647 1.979 . . . . 0.0 109.483 172.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.3 t -135.28 171.03 15.02 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.717 1.207 . . . . 0.0 110.314 171.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.12 -26.89 64.17 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -172.018 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.62 4.29 1.73 Allowed 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 116.865 2.172 . . . . 0.0 116.865 170.791 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 53.62 33.0 15.48 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 126.389 1.875 . . . . 0.0 115.46 178.018 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.9 p -89.14 -41.77 12.07 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.935 1.294 . . . . 0.0 112.414 176.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.7 t -132.0 -156.93 0.78 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 126.976 2.11 . . . . 0.0 110.08 178.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 50.64 -89.95 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 127.335 2.254 . . . . 0.0 113.039 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.9 p -41.25 -43.76 2.47 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 126.815 2.046 . . . . 0.0 114.547 171.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -65.93 -35.66 81.21 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 121.132 -0.98 . . . . 0.0 112.645 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 43.8 mtt -70.39 -33.22 71.14 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.637 0.775 . . . . 0.0 111.819 172.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.83 -40.25 94.88 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.408 0.683 . . . . 0.0 112.018 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -62.65 -40.92 98.54 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.969 -0.457 . . . . 0.0 111.043 169.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.12 -48.8 80.73 Favored Glycine 0 N--CA 1.472 1.073 0 C-N-CA 124.191 0.901 . . . . 0.0 114.111 175.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -69.72 -45.32 68.47 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 118.623 1.211 . . . . 0.0 111.703 176.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.18 -41.81 94.24 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.551 -0.718 . . . . 0.0 112.643 -177.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -65.93 -25.22 67.03 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-N 119.769 1.168 . . . . 0.0 113.222 -179.294 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.5 m -89.85 -48.83 6.99 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.604 1.562 . . . . 0.0 112.347 179.215 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 69.7 mt -85.24 -30.83 23.52 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.676 1.19 . . . . 0.0 112.118 -173.269 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -100.14 15.28 59.31 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 126.72 2.105 . . . . 0.0 114.463 172.053 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -45.88 109.54 0.19 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.134 1.373 . . . . 0.0 113.754 -175.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.59 -18.4 15.2 Favored Glycine 0 CA--C 1.532 1.153 0 C-N-CA 124.822 1.201 . . . . 0.0 114.631 175.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 1' ' ' MET . 17.2 ptmt -85.8 -26.03 25.98 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 118.336 1.068 . . . . 0.0 112.63 169.614 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.3 pp -133.5 171.12 18.58 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 C-N-CA 123.941 0.896 . . . . 0.0 111.576 169.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -131.26 147.6 52.6 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.221 1.008 . . . . 0.0 109.505 168.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.64 151.31 20.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 N-CA-C 115.409 1.633 . . . . 0.0 115.409 -169.202 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.0 m -139.86 150.54 44.76 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.661 1.584 . . . . 0.0 110.061 177.099 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.6 t -122.29 139.69 53.51 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.816 1.646 . . . . 0.0 111.981 175.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 15.2 p -154.35 -177.79 6.69 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.735 1.614 . . . . 0.0 111.871 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -143.57 165.18 27.23 Favored Glycine 0 N--CA 1.468 0.775 0 O-C-N 120.261 -1.524 . . . . 0.0 112.193 169.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.551 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.6 OUTLIER -66.81 -10.39 47.25 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 118.386 1.093 . . . . 0.0 113.197 174.195 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -155.63 168.43 27.18 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 128.304 2.642 . . . . 0.0 108.664 169.322 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.2 t -118.36 146.8 44.11 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.255 1.022 . . . . 0.0 113.002 -171.253 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 35.1 t -126.83 -116.25 0.27 Allowed 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 126.651 1.98 . . . . 0.0 109.472 173.32 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.62 150.61 42.22 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 127.66 2.384 . . . . 0.0 109.482 172.366 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.2 t -58.42 132.24 23.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 CA-C-N 119.244 0.929 . . . . 0.0 109.823 170.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -78.96 124.59 84.77 Favored Pre-proline 0 N--CA 1.465 0.28 0 CA-C-O 119.075 -0.488 . . . . 0.0 110.552 -178.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -73.2 -21.4 20.29 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 121.062 1.174 . . . . 0.0 112.29 -170.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.8 m -74.49 -28.4 60.99 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 121.254 -0.904 . . . . 0.0 111.481 172.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.05 -42.69 95.01 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.841 1.2 . . . . 0.0 111.452 172.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -58.68 -45.39 90.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 123.582 0.753 . . . . 0.0 109.28 175.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.69 -43.43 98.83 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 178.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 11.6 mmt -70.17 -22.72 62.93 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.913 0.885 . . . . 0.0 112.481 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 78.8 mmm -82.42 -35.09 27.95 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.775 0.83 . . . . 0.0 111.858 169.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -64.8 -26.18 68.23 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 120.834 -1.166 . . . . 0.0 112.262 172.168 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -63.66 -17.83 63.34 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 172.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.4 m -114.98 13.34 8.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 125.754 1.622 . . . . 0.0 112.734 171.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.44 22.6 78.59 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 124.756 1.17 . . . . 0.0 115.2 176.376 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.3 mt -111.08 138.03 41.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 125.396 1.478 . . . . 0.0 109.656 179.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -99.64 134.72 42.12 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.394 1.078 . . . . 0.0 112.029 177.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.7 pt -130.65 14.52 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 C-N-CA 124.114 0.965 . . . . 0.0 111.943 169.298 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.0 m -69.9 -23.25 63.21 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.355 1.462 . . . . 0.0 113.893 -171.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -80.32 2.24 77.83 Favored Glycine 0 CA--C 1.539 1.57 0 C-N-CA 124.899 1.238 . . . . 0.0 114.717 175.089 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -99.2 158.79 15.45 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.332 1.453 . . . . 0.0 110.092 176.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.1 t -149.87 176.16 10.99 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 106.313 -1.736 . . . . 0.0 106.313 169.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.4 m -74.97 134.79 41.42 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.943 -177.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -139.4 145.28 43.47 Favored Pre-proline 0 CA--C 1.547 0.846 0 C-N-CA 124.689 1.195 . . . . 0.0 113.51 177.069 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -85.8 144.77 8.76 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 123.719 2.946 . . . . 0.0 113.684 -176.142 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.465 HD12 HG21 ' A' ' 7' ' ' VAL . 9.4 tt -56.61 -36.31 47.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 126.617 1.967 . . . . 0.0 111.771 177.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -60.88 -24.29 65.83 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -176.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -85.1 -15.1 45.05 Favored 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 177.767 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -100.74 177.3 5.03 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.777 1.231 . . . . 0.0 113.219 -171.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -117.6 97.54 5.92 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.97 1.708 . . . . 0.0 112.771 -171.361 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.453 ' HB2' ' CD2' ' A' ' 90' ' ' TRP . . . -57.62 -28.66 63.88 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 121.342 -0.849 . . . . 0.0 113.252 177.326 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -62.72 -36.22 82.27 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.962 1.705 . . . . 0.0 114.052 -176.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -87.05 -32.19 20.11 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -175.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -72.83 105.24 4.29 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 177.076 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -55.35 -31.45 61.74 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.815 0.846 . . . . 0.0 111.92 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 57.4 t -131.77 140.35 48.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 125.387 1.475 . . . . 0.0 110.202 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 51.1 t -126.81 139.32 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 123.99 0.916 . . . . 0.0 110.087 173.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 25.1 mm -126.81 133.28 68.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 124.352 1.061 . . . . 0.0 110.434 -174.241 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 45.0 t -99.54 136.5 39.38 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.819 0.848 . . . . 0.0 111.353 169.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.3 mp -132.4 42.32 3.12 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.831 1.652 . . . . 0.0 109.872 176.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 71.7 m -84.9 -28.87 25.65 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 115.263 1.579 . . . . 0.0 115.263 -169.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.96 49.92 4.1 Favored Glycine 0 CA--C 1.536 1.379 0 CA-C-N 119.091 0.86 . . . . 0.0 112.507 -171.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 63.4 m 61.41 177.56 0.11 Allowed 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 126.937 2.095 . . . . 0.0 114.129 -174.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 74.59 9.15 82.12 Favored Glycine 0 CA--C 1.539 1.585 0 C-N-CA 124.38 0.99 . . . . 0.0 115.161 -177.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 60.3 t -139.61 136.57 40.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 126.252 1.821 . . . . 0.0 109.446 -176.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -140.06 5.42 2.12 Favored 'General case' 0 CA--C 1.551 0.981 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 178.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.429 HD13 ' HB3' ' A' ' 90' ' ' TRP . 66.4 mt 41.92 68.27 2.74 Favored Pre-proline 0 N--CA 1.482 1.168 0 C-N-CA 126.508 1.923 . . . . 0.0 114.843 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -51.53 -29.41 31.89 Favored 'Trans proline' 0 CA--C 1.556 1.602 0 C-N-CA 123.284 2.656 . . . . 0.0 118.937 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_exo -75.24 -159.49 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.102 0 C-N-CA 122.851 2.367 . . . . 0.0 115.595 -177.299 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -57.98 -3.72 0.26 Allowed 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.981 1.712 . . . . 0.0 115.165 171.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.453 ' CD2' ' HB2' ' A' ' 70' ' ' ALA . 98.4 m95 -76.02 8.06 3.53 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.063 1.745 . . . . 0.0 115.277 173.183 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 34.7 m -132.94 10.63 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 125.073 1.349 . . . . 0.0 113.411 169.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 62.1 p -99.74 10.73 40.84 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.831 1.252 . . . . 0.0 112.931 -179.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 21.7 mp0 -59.57 177.04 0.22 Allowed 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 129.246 3.018 . . . . 0.0 114.118 177.207 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -65.5 -43.13 91.08 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.235 169.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 36.4 mt -137.42 141.08 40.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 125.431 1.493 . . . . 0.0 109.852 173.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -130.8 132.54 45.31 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.368 1.067 . . . . 0.0 108.797 168.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -135.05 152.69 51.92 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.431 1.093 . . . . 0.0 111.323 178.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -132.31 66.09 1.56 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.101 0.96 . . . . 0.0 111.773 -175.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -71.02 99.69 1.86 Allowed 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.031 -1.043 . . . . 0.0 110.303 179.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -78.9 124.08 27.88 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.4 -0.812 . . . . 0.0 110.724 -173.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 96.1 mt -139.95 151.45 45.56 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.687 1.595 . . . . 0.0 108.702 -179.105 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -71.87 160.37 32.67 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 121.553 0.692 . . . . 0.0 112.0 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.419 ' HA ' ' HD3' ' A' ' 104' ' ' PRO . 9.8 t70 -93.85 115.88 65.71 Favored Pre-proline 0 CA--C 1.547 0.839 0 CA-C-O 118.62 -0.705 . . . . 0.0 111.749 -178.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 103' ' ' ASP . 52.6 Cg_exo -73.43 -9.1 22.66 Favored 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 123.268 2.645 . . . . 0.0 116.765 -174.109 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -57.71 110.49 0.9 Allowed 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 119.913 1.233 . . . . 0.0 111.86 -176.141 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.64 15.81 80.46 Favored Glycine 0 CA--C 1.539 1.554 0 CA-C-O 119.101 -0.833 . . . . 0.0 114.712 -179.24 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -85.65 -96.67 0.07 Allowed 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 118.374 1.087 . . . . 0.0 110.863 178.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 53.9 p -159.44 162.01 35.6 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 126.563 1.945 . . . . 0.0 109.344 172.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.9 mp -69.83 -24.78 63.5 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.51 -0.744 . . . . 0.0 111.313 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -66.29 -39.19 89.21 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 121.053 -1.03 . . . . 0.0 111.44 169.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.2 t -66.89 -40.71 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 O-C-N 121.222 -0.924 . . . . 0.0 110.958 172.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.403 ' CE1' ' HB2' ' A' ' 104' ' ' PRO . 12.2 m-85 -59.01 -49.04 79.43 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 119.817 1.19 . . . . 0.0 111.56 173.19 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 81.2 mtt-85 -60.14 -39.26 85.7 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.879 0.871 . . . . 0.0 111.792 177.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 98.5 m -64.2 -46.11 85.36 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.069 0.947 . . . . 0.0 111.457 177.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 57.3 t -68.74 -46.36 79.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 123.568 0.747 . . . . 0.0 110.984 177.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 49.4 ttp180 -52.52 -48.56 65.97 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.581 1.552 . . . . 0.0 112.113 176.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -58.92 -38.46 92.65 Favored Glycine 0 N--CA 1.472 1.043 0 C-N-CA 124.0 0.809 . . . . 0.0 113.071 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -74.57 -46.98 35.23 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 117.928 0.864 . . . . 0.0 112.412 173.493 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 99.6 t -52.82 -40.51 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 CA-C-N 120.218 1.372 . . . . 0.0 111.394 175.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 38.0 tttm -57.8 -57.6 12.03 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.884 0.874 . . . . 0.0 111.742 171.386 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -66.34 -35.12 79.56 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -173.307 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -64.66 -41.81 95.83 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.49 1.041 . . . . 0.0 110.398 175.359 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 11.8 t -62.65 -50.49 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 CA-C-O 117.592 -1.194 . . . . 0.0 113.114 170.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -57.45 -35.69 70.44 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 121.298 1.863 . . . . 0.0 113.019 178.064 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -25.31 59.68 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 112.997 0.739 . . . . 0.0 112.997 178.358 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 59.3 tp -82.82 -47.89 11.39 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.554 1.141 . . . . 0.0 111.851 177.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 11.8 pt -63.79 -29.27 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 CA-C-N 119.533 1.061 . . . . 0.0 112.699 -175.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.13 -21.83 64.91 Favored 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 174.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -86.18 -42.52 13.76 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.244 1.418 . . . . 0.0 112.871 175.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.293 1.4 pp -104.32 2.17 10.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 N-CA-C 116.45 2.019 . . . . 0.0 116.45 -170.261 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 32.3 t . . . . . 0 C--O 1.255 1.365 0 CA-C-N 119.344 0.975 . . . . 0.0 112.267 169.65 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.416 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 11.5 ttt . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 119.911 -0.09 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -130.77 164.29 25.44 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 125.87 1.668 . . . . 0.0 112.051 174.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -107.02 136.7 46.44 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.027 1.331 . . . . 0.0 110.963 -177.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.3 t -122.38 139.94 47.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 124.225 1.01 . . . . 0.0 109.923 177.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 8.2 tpp -131.22 133.95 45.97 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.024 0.93 . . . . 0.0 110.67 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -112.32 118.06 34.2 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.723 1.209 . . . . 0.0 112.169 -173.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.4 t -96.16 138.59 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 126.52 1.928 . . . . 0.0 111.515 174.522 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 48.9 t -137.29 178.32 7.19 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.866 1.667 . . . . 0.0 109.305 169.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -54.96 -60.74 2.95 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 120.009 1.277 . . . . 0.0 112.206 178.133 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -126.03 16.43 7.91 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 115.402 1.63 . . . . 0.0 115.402 -177.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 52.21 37.01 20.82 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 127.1 2.16 . . . . 0.0 113.739 -176.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.9 p -91.15 -49.49 6.36 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.904 1.681 . . . . 0.0 112.402 -179.149 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.6 t -131.77 179.18 6.22 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.968 1.707 . . . . 0.0 110.691 -178.225 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.1 mtt85 54.53 -73.08 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 128.089 2.556 . . . . 0.0 114.37 -171.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.7 p -51.61 -38.94 56.9 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 126.439 1.895 . . . . 0.0 113.77 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -71.39 -36.04 71.27 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.31 0.644 . . . . 0.0 111.67 177.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 45.4 mtt -68.43 -40.25 81.24 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.68 0.792 . . . . 0.0 111.08 171.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.41 -43.72 88.74 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.027 0.931 . . . . 0.0 111.631 177.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 -61.02 -40.45 93.63 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.5 0.72 . . . . 0.0 111.309 169.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.08 -51.02 59.91 Favored Glycine 0 N--CA 1.472 1.061 0 C-N-CA 125.75 1.643 . . . . 0.0 115.319 173.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -67.55 -46.33 73.07 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.751 1.776 . . . . 0.0 110.131 176.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.1 -41.72 90.24 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 113.21 0.818 . . . . 0.0 113.21 -173.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -62.01 -26.9 68.5 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-N 119.307 0.958 . . . . 0.0 113.005 178.04 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.6 m -90.35 -52.38 4.95 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.954 1.701 . . . . 0.0 112.699 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 76.6 mt -85.11 -29.4 24.87 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.181 1.392 . . . . 0.0 112.327 -171.263 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -98.81 11.85 62.6 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 126.172 1.844 . . . . 0.0 114.452 173.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.5 111.42 0.49 Allowed 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 119.234 1.517 . . . . 0.0 113.392 -173.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.15 -18.28 23.45 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 124.715 1.15 . . . . 0.0 115.036 176.264 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 1' ' ' MET . 16.8 ptmt -88.74 -26.06 21.97 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.299 1.04 . . . . 0.0 112.706 169.62 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 pp -133.98 170.82 19.02 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 123.968 0.907 . . . . 0.0 111.987 169.576 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.5 145.18 51.19 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.141 0.976 . . . . 0.0 109.599 168.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -140.37 151.03 21.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 N-CA-C 115.174 1.546 . . . . 0.0 115.174 -169.378 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.9 m -145.75 151.09 37.41 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.902 1.681 . . . . 0.0 109.139 178.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 89.0 p -124.33 150.26 45.67 Favored 'General case' 0 N--CA 1.468 0.425 0 O-C-N 120.944 -1.098 . . . . 0.0 111.839 169.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 15.8 p -153.91 -176.17 5.72 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.446 1.498 . . . . 0.0 110.664 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -153.56 168.54 32.17 Favored Glycine 0 C--O 1.223 -0.562 0 O-C-N 120.323 -1.486 . . . . 0.0 112.759 171.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.499 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -66.29 -12.87 59.05 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 118.634 1.217 . . . . 0.0 112.932 174.716 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -138.44 176.64 8.52 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 127.766 2.427 . . . . 0.0 109.55 169.382 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.8 p -136.38 144.89 44.8 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.147 1.379 . . . . 0.0 111.31 171.104 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 40.5 m -137.4 -75.66 0.41 Allowed 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.156 0.583 . . . . 0.0 112.481 170.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.15 161.79 22.45 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 126.841 2.057 . . . . 0.0 109.843 169.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.8 t -62.42 137.52 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 CA-C-N 119.498 1.045 . . . . 0.0 108.512 169.289 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -66.24 124.55 88.29 Favored Pre-proline 0 N--CA 1.466 0.371 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 174.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.43 -24.96 30.62 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 CA-C-N 120.298 1.142 . . . . 0.0 112.205 -169.288 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.1 m -71.95 -29.35 64.18 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.441 -0.787 . . . . 0.0 111.932 173.095 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.59 -44.49 93.34 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 120.625 -1.297 . . . . 0.0 111.523 174.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.1 mt -59.0 -43.82 89.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.847 0.859 . . . . 0.0 110.81 174.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.85 -37.12 86.19 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 177.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 14.4 mmt -74.46 -29.17 61.35 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.988 1.315 . . . . 0.0 112.768 178.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 85.1 mmm -75.78 -31.97 59.71 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.696 0.68 . . . . 0.0 111.514 169.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -68.61 -23.36 64.44 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.361 -0.837 . . . . 0.0 113.224 174.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -60.48 -32.34 71.33 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.851 1.205 . . . . 0.0 112.705 171.386 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.1 m -98.44 10.63 6.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 125.033 1.333 . . . . 0.0 112.526 176.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.9 19.34 78.18 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 124.83 1.205 . . . . 0.0 114.759 176.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 63.7 mt -101.87 129.61 52.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 124.734 1.214 . . . . 0.0 110.18 -179.036 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -97.14 118.74 34.24 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -177.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 9.4 pt -122.23 14.26 5.74 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 C-N-CA 125.049 1.34 . . . . 0.0 111.893 169.089 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.2 m -65.25 -30.83 71.74 Favored 'General case' 0 N--CA 1.48 1.057 0 O-C-N 120.74 -1.225 . . . . 0.0 113.063 -172.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -83.31 3.09 85.89 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 124.803 1.192 . . . . 0.0 114.95 176.297 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -86.61 158.8 19.41 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.348 1.574 . . . . 0.0 110.896 176.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 23.7 p -140.94 161.36 38.0 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 127.917 2.487 . . . . 0.0 107.682 -178.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 65.3 p -87.53 137.63 32.18 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.515 -0.74 . . . . 0.0 112.731 178.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -137.72 146.67 53.94 Favored Pre-proline 0 N--CA 1.478 0.963 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 -178.207 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -87.65 146.0 6.93 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 123.623 2.882 . . . . 0.0 113.912 -172.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.7 tt -55.87 -35.34 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 127.508 2.323 . . . . 0.0 112.153 178.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -60.39 -23.96 64.75 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.641 1.177 . . . . 0.0 113.947 -178.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.06 -14.25 34.21 Favored 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 178.396 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -96.14 171.83 8.36 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.637 1.175 . . . . 0.0 113.501 -169.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -121.26 86.65 2.61 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.461 1.505 . . . . 0.0 112.452 -169.581 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.88 -34.27 27.49 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -178.081 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -58.99 -26.38 64.46 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.337 1.455 . . . . 0.0 114.184 -178.266 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -93.41 0.99 57.03 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 178.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -106.62 103.21 12.61 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.188 -0.945 . . . . 0.0 108.815 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -51.71 -38.57 55.74 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.48 0.712 . . . . 0.0 111.186 175.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 38.5 t -126.81 136.58 60.38 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 C-N-CA 124.102 0.961 . . . . 0.0 110.422 177.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 48.7 t -121.44 137.76 54.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 123.781 0.833 . . . . 0.0 109.697 170.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 30.3 mm -123.42 137.49 56.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 124.554 1.142 . . . . 0.0 109.748 -177.324 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.0 t -105.28 135.84 45.9 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.415 0.686 . . . . 0.0 110.758 169.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.2 mp -129.56 41.06 3.5 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.356 1.463 . . . . 0.0 109.896 -178.09 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 20.1 m -110.25 -19.42 13.01 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 115.591 1.7 . . . . 0.0 115.591 -169.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.59 -168.91 28.28 Favored Glycine 0 CA--C 1.539 1.55 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 -168.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 8.6 t -68.87 -21.81 64.24 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -170.382 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -69.87 0.87 18.97 Favored Glycine 0 CA--C 1.536 1.384 0 N-CA-C 116.227 1.251 . . . . 0.0 116.227 -173.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 30.9 t -135.57 134.89 51.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 125.504 1.522 . . . . 0.0 111.506 -169.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -134.98 -6.07 2.38 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 115.707 1.743 . . . . 0.0 115.707 -177.576 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.5 mt 44.24 65.8 5.6 Favored Pre-proline 0 CA--C 1.555 1.142 0 C-N-CA 126.341 1.856 . . . . 0.0 114.806 -179.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -51.17 -28.64 26.3 Favored 'Trans proline' 0 CA--C 1.555 1.539 0 N-CA-C 119.196 2.729 . . . . 0.0 119.196 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -76.12 -160.83 0.12 Allowed 'Trans proline' 0 CA--C 1.549 1.247 0 C-N-CA 122.713 2.275 . . . . 0.0 114.655 -177.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -58.07 -8.81 1.15 Allowed 'General case' 0 N--CA 1.478 0.97 0 O-C-N 120.073 -1.642 . . . . 0.0 115.009 175.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 89.3 m95 -58.67 -16.77 17.78 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.797 1.639 . . . . 0.0 114.714 171.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.6 m -117.77 1.95 7.69 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 174.052 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 37.4 p -94.14 2.1 56.01 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.142 0.977 . . . . 0.0 113.054 176.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 -71.8 175.16 5.98 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.284 1.034 . . . . 0.0 112.055 174.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -63.81 -36.66 84.62 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 113.083 0.771 . . . . 0.0 113.083 -169.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 44.5 mt -137.23 137.82 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.019 0.927 . . . . 0.0 110.504 170.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -128.17 133.31 48.89 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.346 1.058 . . . . 0.0 109.515 168.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -135.57 150.55 49.74 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.473 1.109 . . . . 0.0 111.181 174.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -120.3 112.58 19.21 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 122.049 0.928 . . . . 0.0 111.616 173.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.468 ' CE2' ' HB3' ' A' ' 122' ' ' ARG . 37.3 m0 -100.25 78.32 2.04 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 126.087 1.755 . . . . 0.0 109.894 -174.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -73.87 118.94 17.41 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.028 0.531 . . . . 0.0 110.333 -178.103 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 81.0 mt -135.26 171.18 14.8 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.486 1.914 . . . . 0.0 110.095 177.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -68.43 177.61 2.31 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.622 0.769 . . . . 0.0 112.516 176.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -117.92 98.25 51.41 Favored Pre-proline 0 CA--C 1.548 0.882 0 C-N-CA 124.623 1.169 . . . . 0.0 112.403 -169.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -70.41 -15.09 34.61 Favored 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 123.79 2.993 . . . . 0.0 117.265 -169.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -57.57 113.46 1.81 Allowed 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 119.571 1.078 . . . . 0.0 112.236 -176.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.33 15.02 81.79 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 123.861 0.743 . . . . 0.0 114.036 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -88.37 -105.73 0.08 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.33 1.052 . . . . 0.0 110.742 177.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 67.0 m -154.35 156.54 37.08 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.939 2.096 . . . . 0.0 109.365 -176.337 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 67.5 mt -62.36 -34.63 77.04 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.377 -0.827 . . . . 0.0 112.249 178.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -58.44 -37.37 75.28 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.573 0.749 . . . . 0.0 112.211 172.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 56.7 t -74.08 -38.57 49.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 O-C-N 122.047 -0.408 . . . . 0.0 110.515 178.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -60.19 -46.89 88.18 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 118.21 0.459 . . . . 0.0 111.299 170.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 59.3 mtp85 -60.28 -39.54 87.25 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.967 1.307 . . . . 0.0 112.162 176.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 56.0 m -64.33 -38.66 91.83 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.575 1.15 . . . . 0.0 112.093 176.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 53.6 t -72.92 -50.16 34.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 O-C-N 121.685 -0.635 . . . . 0.0 111.209 172.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -46.6 -52.09 14.3 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 126.645 1.978 . . . . 0.0 112.096 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -59.73 -42.29 97.9 Favored Glycine 0 N--CA 1.473 1.13 0 C-N-CA 123.796 0.712 . . . . 0.0 113.725 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -72.82 -36.62 67.54 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.226 -1.161 . . . . 0.0 112.032 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 41.1 t -66.37 -41.8 89.46 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 O-C-N 121.023 -1.048 . . . . 0.0 110.787 172.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -56.73 -46.78 81.12 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.34 1.056 . . . . 0.0 110.924 171.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -56.67 -52.79 63.56 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.083 0.553 . . . . 0.0 111.835 174.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.468 ' HB3' ' CE2' ' A' ' 99' ' ' TRP . 24.5 mmm180 -60.88 -36.44 79.19 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 118.302 -0.856 . . . . 0.0 111.376 -176.392 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 52.3 t -65.71 -54.7 24.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-O 117.621 -1.181 . . . . 0.0 113.962 169.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -58.71 -36.18 73.85 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 121.062 1.755 . . . . 0.0 112.056 -178.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -77.32 -26.78 52.49 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 179.336 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 56.2 tp -73.91 -51.5 15.94 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 124.367 1.067 . . . . 0.0 112.876 170.372 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 11.2 pt -62.24 -29.62 47.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 CA-C-N 119.54 1.064 . . . . 0.0 111.958 -174.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.96 -23.08 66.53 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 176.109 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -96.44 -32.89 12.1 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 114.973 1.471 . . . . 0.0 114.973 175.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.275 1.8 pp -101.1 -5.93 9.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 N-CA-C 117.14 2.274 . . . . 0.0 117.14 -177.767 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 48.3 m . . . . . 0 C--O 1.254 1.323 0 CA-C-N 120.504 1.502 . . . . 0.0 113.012 177.544 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.462 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 15.6 ttt . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 119.624 -0.227 . . . . 0.0 111.436 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 42.7 mttm -130.33 163.91 25.79 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 125.451 1.5 . . . . 0.0 112.355 174.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -104.99 137.12 43.22 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.606 1.162 . . . . 0.0 111.216 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.5 t -124.21 138.84 52.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 124.571 1.148 . . . . 0.0 109.721 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 5.4 tpp -131.76 133.43 44.76 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.708 0.803 . . . . 0.0 110.035 -177.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -104.48 140.86 37.34 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.609 0.764 . . . . 0.0 111.763 -176.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.3 t -122.12 127.64 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 126.68 1.992 . . . . 0.0 110.28 174.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 40.4 t -126.76 172.08 10.65 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.906 1.683 . . . . 0.0 108.8 169.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.1 ttpp -61.27 -52.42 64.81 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 119.245 0.93 . . . . 0.0 111.744 -175.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.337 0.2 OUTLIER -120.91 9.46 10.64 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 117.312 2.338 . . . . 0.0 117.312 175.879 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 54.23 27.81 8.34 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 116.012 1.856 . . . . 0.0 116.012 178.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.4 p -87.4 -38.5 16.11 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.507 1.523 . . . . 0.0 111.946 174.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.5 t -139.95 -176.67 4.67 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.779 1.632 . . . . 0.0 110.693 -176.406 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 77.5 mtm180 57.71 -80.34 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 126.892 2.077 . . . . 0.0 113.178 -174.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 56.8 p -45.72 -42.97 12.42 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 127.251 2.22 . . . . 0.0 114.453 176.595 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -71.38 -36.48 71.43 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 121.777 -0.577 . . . . 0.0 111.086 -178.469 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 54.8 mtm -73.66 -30.63 63.03 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 121.149 -0.969 . . . . 0.0 112.002 173.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.8 97.96 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.959 0.904 . . . . 0.0 111.563 171.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -62.81 -41.17 99.19 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 119.134 -0.46 . . . . 0.0 111.532 170.08 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.65 -47.91 68.35 Favored Glycine 0 N--CA 1.474 1.181 0 C-N-CA 125.007 1.289 . . . . 0.0 114.513 174.043 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -70.86 -44.72 65.8 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 118.801 1.301 . . . . 0.0 112.116 175.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.73 -38.84 90.26 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -177.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -67.84 -25.56 65.61 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 119.755 1.161 . . . . 0.0 113.155 178.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.3 m -86.07 -55.98 3.68 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.381 1.472 . . . . 0.0 112.757 175.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 71.4 mt -82.63 -22.43 34.71 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.342 1.457 . . . . 0.0 112.655 -172.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -102.1 8.76 55.94 Favored Glycine 0 CA--C 1.53 0.996 0 C-N-CA 126.609 2.052 . . . . 0.0 114.324 174.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.34 112.84 0.75 Allowed 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 119.728 1.764 . . . . 0.0 112.561 -179.103 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.21 -22.23 8.82 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 124.776 1.179 . . . . 0.0 114.34 -178.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 1' ' ' MET . 34.8 mtpt -75.7 -39.03 58.1 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.98 1.312 . . . . 0.0 111.019 169.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.4 pp -142.68 171.31 10.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 125.178 1.391 . . . . 0.0 112.326 -176.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -126.09 142.15 51.64 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.869 1.268 . . . . 0.0 108.633 168.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.08 148.39 27.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 N-CA-C 114.749 1.389 . . . . 0.0 114.749 -169.62 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.6 m -137.95 146.15 42.87 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.281 1.433 . . . . 0.0 109.963 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.2 t -115.13 136.37 53.19 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.745 1.218 . . . . 0.0 112.247 176.044 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 12.0 p -150.53 -177.94 6.26 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.471 1.108 . . . . 0.0 112.75 177.075 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -155.11 166.06 32.44 Favored Glycine 0 N--CA 1.465 0.602 0 O-C-N 120.401 -1.437 . . . . 0.0 112.388 171.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.54 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -67.57 -12.19 59.81 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 118.341 1.07 . . . . 0.0 113.256 174.083 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -136.91 166.75 22.9 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 127.876 2.47 . . . . 0.0 107.808 169.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.0 p -135.8 118.06 15.6 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.211 -0.93 . . . . 0.0 112.81 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.3 t -141.74 146.25 35.78 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 126.168 1.787 . . . . 0.0 110.107 169.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -31.43 140.93 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 129.472 3.109 . . . . 0.0 115.669 -174.581 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.6 t -54.86 130.58 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 172.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -65.42 123.79 85.35 Favored Pre-proline 0 C--O 1.234 0.256 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 178.157 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.76 -22.52 31.98 Favored 'Trans proline' 0 CA--C 1.54 0.797 0 CA-C-N 120.212 1.111 . . . . 0.0 112.014 -168.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 55.9 m -68.04 -27.71 66.76 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.065 -1.022 . . . . 0.0 111.842 171.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.62 98.99 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 120.431 -1.418 . . . . 0.0 111.83 173.072 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mp -56.21 -49.16 77.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 171.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.68 -36.44 82.9 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 -177.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 10.3 mmt -76.27 -29.65 57.52 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 123.938 0.895 . . . . 0.0 111.703 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 84.6 mmm -74.51 -30.59 61.86 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.163 0.892 . . . . 0.0 111.789 169.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -66.94 -25.28 66.27 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.739 -1.226 . . . . 0.0 112.905 174.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -62.61 -28.15 69.69 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 119.876 1.216 . . . . 0.0 112.835 174.051 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.0 m -102.13 10.28 8.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 125.632 1.573 . . . . 0.0 112.524 176.456 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.66 23.03 78.63 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.991 1.281 . . . . 0.0 115.424 176.583 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 71.1 mt -109.16 142.19 22.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 125.389 1.476 . . . . 0.0 110.055 -178.196 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -111.42 121.5 45.36 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.012 0.925 . . . . 0.0 112.892 -176.022 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.5 pt -126.28 23.32 3.16 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 C-N-CA 125.182 1.393 . . . . 0.0 111.885 169.067 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 95.9 p -78.16 -24.76 47.16 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 120.786 -1.196 . . . . 0.0 113.416 179.124 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -85.65 13.09 57.4 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 125.376 1.465 . . . . 0.0 115.281 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -127.62 163.38 24.35 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.221 1.511 . . . . 0.0 112.113 -178.189 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 37.1 p -137.27 170.39 16.16 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 127.375 2.27 . . . . 0.0 108.174 -169.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.1 p -85.14 147.18 26.75 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 177.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -143.38 145.44 32.02 Favored Pre-proline 0 CA--C 1.55 0.972 0 C-N-CA 124.024 0.929 . . . . 0.0 113.232 177.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -86.6 146.99 8.4 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 123.406 2.737 . . . . 0.0 113.446 -173.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.7 tt -54.88 -34.21 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 127.061 2.145 . . . . 0.0 111.849 177.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -59.25 -26.57 65.02 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.495 1.518 . . . . 0.0 114.081 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.51 -13.09 38.19 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 179.239 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -98.25 170.58 8.78 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.894 1.278 . . . . 0.0 113.519 -169.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -122.56 85.36 2.4 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.323 1.449 . . . . 0.0 112.188 -169.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.79 -35.09 42.74 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -178.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -55.87 -26.53 47.45 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.049 1.74 . . . . 0.0 114.488 -178.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -83.79 -31.6 25.81 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 175.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -79.33 108.45 12.86 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.566 0.746 . . . . 0.0 109.288 -172.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -51.2 -36.46 41.57 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.678 0.791 . . . . 0.0 111.291 174.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 38.6 t -133.56 138.5 50.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 C-N-CA 124.227 1.011 . . . . 0.0 111.235 -178.233 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 52.0 t -123.76 137.2 57.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.225 1.01 . . . . 0.0 110.518 173.313 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 29.7 mm -129.46 111.1 21.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 124.365 1.066 . . . . 0.0 110.942 -171.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.7 t -84.7 145.74 27.79 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.666 -0.646 . . . . 0.0 109.329 168.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.9 mp -130.71 21.56 5.05 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.465 1.106 . . . . 0.0 111.003 169.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 72.4 m -70.35 -40.82 73.85 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 115.208 1.558 . . . . 0.0 115.208 -168.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 93.19 -151.63 20.51 Favored Glycine 0 CA--C 1.533 1.208 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 -169.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 13.2 t -64.82 154.03 38.28 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 123.827 0.851 . . . . 0.0 112.51 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 86.28 2.04 85.77 Favored Glycine 0 CA--C 1.534 1.269 0 N-CA-C 115.806 1.082 . . . . 0.0 115.806 174.296 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 81.1 t -134.06 133.41 55.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 CA-C-N 118.95 1.375 . . . . 0.0 113.197 -175.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -142.45 156.8 45.21 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.739 2.416 . . . . 0.0 107.518 169.033 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 79.0 mt -118.59 67.83 7.64 Favored Pre-proline 0 N--CA 1.476 0.833 0 C-N-CA 124.675 1.19 . . . . 0.0 111.487 -176.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -59.37 -16.63 35.97 Favored 'Trans proline' 0 CA--C 1.556 1.597 0 N-CA-C 118.809 2.58 . . . . 0.0 118.809 -174.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -74.39 -159.46 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 CA-C-N 123.603 2.322 . . . . 0.0 114.4 175.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -53.06 -14.56 0.63 Allowed 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.772 1.629 . . . . 0.0 115.159 172.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -59.51 -17.03 28.5 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.08 1.752 . . . . 0.0 115.198 173.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 34.0 m -119.86 2.57 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 174.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 43.0 p -90.37 1.11 56.92 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.893 0.877 . . . . 0.0 112.988 176.193 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 70.6 mm-40 -74.36 176.07 7.08 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.184 0.994 . . . . 0.0 112.196 178.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -65.68 -37.49 86.64 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.67 -0.644 . . . . 0.0 112.706 -169.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 46.7 mt -136.67 136.13 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 123.96 0.904 . . . . 0.0 109.973 169.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -124.35 135.12 53.08 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.251 1.021 . . . . 0.0 109.623 169.088 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -129.33 156.48 43.96 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.096 0.958 . . . . 0.0 112.022 175.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -137.26 80.59 1.82 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.809 1.244 . . . . 0.0 109.668 178.357 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 29.2 m95 -82.68 79.84 8.96 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.74 0.781 . . . . 0.0 110.263 -178.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -64.52 127.7 32.62 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.31 0.644 . . . . 0.0 111.187 -176.251 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 76.6 mt -140.44 166.01 25.88 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 126.154 1.782 . . . . 0.0 110.15 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -71.77 167.14 20.56 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.121 0.968 . . . . 0.0 111.935 173.025 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -105.47 111.51 64.87 Favored Pre-proline 0 CA--C 1.547 0.857 0 C-N-CA 124.257 1.023 . . . . 0.0 111.795 -177.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -72.72 -11.76 26.17 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 123.131 2.554 . . . . 0.0 117.213 -172.313 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -56.85 115.13 2.4 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 119.414 1.006 . . . . 0.0 112.324 -178.195 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.0 13.99 80.57 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 123.982 0.801 . . . . 0.0 114.467 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -88.12 -96.49 0.09 Allowed 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 118.237 1.018 . . . . 0.0 110.833 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 64.7 p -161.08 164.19 30.94 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 126.343 1.857 . . . . 0.0 110.069 175.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 67.8 mt -63.35 -36.21 82.95 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 121.579 -0.701 . . . . 0.0 111.637 174.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -59.18 -38.74 80.54 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.788 -0.57 . . . . 0.0 112.12 172.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 68.6 t -71.09 -38.25 70.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 O-C-N 121.105 -0.997 . . . . 0.0 111.695 174.193 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -60.22 -46.83 88.41 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.701 1.137 . . . . 0.0 111.381 171.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -62.18 -38.79 90.44 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.46 1.104 . . . . 0.0 111.831 177.13 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 51.8 m -62.52 -38.81 91.39 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.512 1.125 . . . . 0.0 111.897 175.433 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 41.3 t -73.09 -48.35 44.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 O-C-N 121.441 -0.787 . . . . 0.0 111.155 173.008 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -51.97 -48.84 64.18 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 126.093 1.757 . . . . 0.0 112.273 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -62.56 -37.38 94.63 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 123.486 0.565 . . . . 0.0 113.422 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -74.71 -46.32 38.4 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.895 -0.767 . . . . 0.0 111.331 176.202 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 93.7 t -54.16 -42.3 55.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 O-C-N 121.098 -1.001 . . . . 0.0 111.64 173.112 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -59.17 -56.26 24.45 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.249 1.02 . . . . 0.0 111.528 173.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -63.97 -37.72 88.43 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 118.464 0.574 . . . . 0.0 112.099 -174.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -63.69 -42.37 98.0 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 118.895 0.77 . . . . 0.0 110.252 178.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 7.5 t -63.54 -48.17 88.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-O 117.823 -1.084 . . . . 0.0 113.134 171.653 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -60.39 -36.26 77.68 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 121.026 1.739 . . . . 0.0 112.366 178.547 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.34 -23.98 60.3 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 179.083 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 50.4 tp -84.89 -51.02 7.03 Favored 'General case' 0 C--O 1.225 -0.192 0 C-N-CA 125.089 1.356 . . . . 0.0 111.286 178.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.2 pt -61.1 -33.39 55.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 CA-C-N 119.26 0.937 . . . . 0.0 111.388 -176.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.56 -19.79 65.85 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 178.427 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -98.78 -33.5 10.88 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 174.258 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.255 2.0 pp -98.68 -1.82 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 N-CA-C 116.016 1.858 . . . . 0.0 116.016 -179.208 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 40.2 m . . . . . 0 C--O 1.256 1.419 0 CA-C-N 119.743 1.156 . . . . 0.0 112.538 174.274 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.0 ttm . . . . . 0 N--CA 1.493 1.68 0 N-CA-C 111.419 0.155 . . . . 0.0 111.419 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -128.53 163.65 24.51 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 126.131 1.772 . . . . 0.0 110.03 169.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.4 ' HB2' ' HE2' ' A' ' 3' ' ' LYS . 1.6 mppt? -108.93 141.4 41.06 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.223 1.009 . . . . 0.0 111.734 -174.432 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.7 t -120.71 137.79 53.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 123.993 0.917 . . . . 0.0 110.458 175.332 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 5.1 tpp -124.87 131.13 53.47 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 124.203 1.001 . . . . 0.0 110.439 176.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -105.79 124.58 49.8 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 125.003 1.321 . . . . 0.0 110.695 -176.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.432 HG21 HD12 ' A' ' 65' ' ' ILE . 2.4 t -104.88 131.42 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 125.86 1.664 . . . . 0.0 110.415 174.089 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 39.7 t -130.81 169.82 15.21 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.246 1.019 . . . . 0.0 109.326 169.428 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -62.79 -46.43 88.05 Favored 'General case' 0 N--CA 1.485 1.281 0 O-C-N 120.973 -1.079 . . . . 0.0 113.402 -169.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.317 0.1 OUTLIER -124.41 19.09 8.91 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 174.256 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 47.54 43.48 16.07 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 127.751 2.42 . . . . 0.0 115.45 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.2 p -98.14 -48.32 5.15 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 -169.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 14.5 p -134.28 -67.78 0.57 Allowed 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 -169.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 71.6 mtm180 -56.42 -47.62 78.67 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 124.432 1.093 . . . . 0.0 113.705 -169.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.9 p -69.86 -33.22 71.96 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.231 1.012 . . . . 0.0 112.584 176.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -70.74 -37.9 73.48 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 121.685 -0.634 . . . . 0.0 111.098 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 32.6 mtt -64.62 -37.02 86.14 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.152 0.981 . . . . 0.0 112.194 169.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.68 -44.72 85.36 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.875 -0.515 . . . . 0.0 111.229 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -60.87 -43.29 98.6 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 119.124 -0.465 . . . . 0.0 110.917 169.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.65 -44.97 69.11 Favored Glycine 0 N--CA 1.471 1.007 0 C-N-CA 124.598 1.094 . . . . 0.0 115.026 176.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -79.5 -42.85 24.3 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 118.775 1.287 . . . . 0.0 111.373 178.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.66 -39.77 94.27 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 119.259 0.936 . . . . 0.0 112.583 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -66.36 -23.85 66.41 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-N 119.328 0.967 . . . . 0.0 113.349 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.2 m -90.06 -50.53 5.96 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.73 1.612 . . . . 0.0 112.441 177.173 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 74.1 mt -84.03 -29.34 26.99 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.756 1.222 . . . . 0.0 112.348 -171.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -98.8 12.74 62.62 Favored Glycine 0 CA--C 1.532 1.094 0 C-N-CA 126.514 2.007 . . . . 0.0 114.303 173.048 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.74 113.57 1.03 Allowed 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.294 1.038 . . . . 0.0 113.15 -174.273 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.09 -7.78 76.48 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.207 0.908 . . . . 0.0 114.561 175.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -103.94 -28.58 11.48 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.225 1.41 . . . . 0.0 112.864 169.483 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -128.2 173.67 12.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 123.636 0.774 . . . . 0.0 112.906 170.424 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.74 141.95 47.74 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.52 1.128 . . . . 0.0 109.148 169.207 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.6 m -140.11 151.79 21.72 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 -169.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.1 m -141.29 149.33 41.12 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.079 1.351 . . . . 0.0 110.431 -177.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.2 t -116.83 137.9 51.88 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.912 1.685 . . . . 0.0 111.475 173.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 14.0 p -150.7 -177.73 6.16 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.308 1.443 . . . . 0.0 112.498 174.047 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -152.22 163.84 30.33 Favored Glycine 0 N--CA 1.466 0.649 0 O-C-N 119.897 -1.752 . . . . 0.0 113.266 171.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.574 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -64.75 -16.51 63.08 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 121.823 -0.81 . . . . 0.0 112.687 172.253 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -140.4 167.59 21.8 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 127.126 2.17 . . . . 0.0 107.819 168.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.3 m -152.76 138.64 18.04 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 120.968 -1.083 . . . . 0.0 112.198 -177.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.1 t -134.6 -74.29 0.47 Allowed 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 176.07 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.47 156.41 35.22 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.892 1.277 . . . . 0.0 111.996 171.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.0 t -60.49 132.08 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 169.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -65.9 124.0 86.44 Favored Pre-proline 0 CA--C 1.531 0.216 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 176.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -69.51 -24.94 30.28 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 CA-C-N 120.257 1.127 . . . . 0.0 111.861 -169.078 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.0 m -70.48 -28.38 64.94 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.35 -0.844 . . . . 0.0 111.943 172.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.54 -45.61 93.24 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 119.839 1.2 . . . . 0.0 111.51 173.041 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.1 mt -58.62 -45.97 90.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 123.479 0.711 . . . . 0.0 110.228 174.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.9 -38.02 86.78 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 178.551 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 21.5 mmt -73.55 -27.15 61.18 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 125.054 1.342 . . . . 0.0 112.57 178.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 83.6 mmm -78.02 -31.82 50.73 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.884 0.765 . . . . 0.0 111.281 169.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -67.1 -24.82 65.98 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.115 -0.99 . . . . 0.0 112.98 174.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -60.22 -31.56 70.28 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.714 1.143 . . . . 0.0 112.616 172.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 31.8 m -99.51 10.32 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 125.134 1.374 . . . . 0.0 112.62 177.163 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.2 20.74 79.28 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 124.845 1.212 . . . . 0.0 114.929 177.017 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 64.4 mt -105.19 140.08 24.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 125.27 1.428 . . . . 0.0 109.714 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -109.56 125.8 52.91 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.356 0.662 . . . . 0.0 112.169 179.55 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.1 pt -121.1 13.11 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 125.179 1.391 . . . . 0.0 112.542 169.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.4 m -63.35 -26.8 68.92 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 120.423 -1.423 . . . . 0.0 113.457 -175.203 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -78.9 0.42 78.38 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 124.917 1.246 . . . . 0.0 114.932 175.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -88.47 166.15 14.41 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.415 1.607 . . . . 0.0 110.78 175.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.7 p -146.5 157.63 43.77 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 128.582 2.753 . . . . 0.0 105.455 -174.158 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 49.1 m -80.07 129.33 34.41 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 119.48 -0.888 . . . . 0.0 109.709 169.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -137.4 136.92 21.1 Favored Pre-proline 0 CA--C 1.544 0.727 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -178.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -80.5 143.86 15.55 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.837 2.358 . . . . 0.0 113.541 -170.25 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.432 HD12 HG21 ' A' ' 7' ' ' VAL . 9.6 tt -54.23 -35.53 30.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 126.485 1.914 . . . . 0.0 111.582 176.347 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -59.25 -24.13 62.93 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.23 1.412 . . . . 0.0 114.296 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.4 -14.48 35.4 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 178.213 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -99.7 174.99 5.97 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.585 1.154 . . . . 0.0 113.692 -170.27 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -116.38 94.19 4.53 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.18 1.792 . . . . 0.0 112.003 -172.404 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.9 -36.48 49.0 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.546 -0.721 . . . . 0.0 112.516 175.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -57.53 -30.65 65.34 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.313 1.845 . . . . 0.0 114.549 -175.246 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -85.35 -28.76 25.0 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 178.302 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -81.6 94.68 6.97 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.504 0.722 . . . . 0.0 109.959 -175.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -48.02 -34.87 10.07 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.014 1.325 . . . . 0.0 112.15 178.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 40.6 t -127.12 138.34 55.13 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 C-N-CA 124.15 0.98 . . . . 0.0 111.134 173.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 76.0 t -122.25 138.39 52.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.848 0.859 . . . . 0.0 109.972 169.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 27.7 mm -126.16 130.74 72.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 C-N-CA 124.282 1.033 . . . . 0.0 109.428 -178.33 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.4 t -97.65 137.16 36.97 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 118.762 0.71 . . . . 0.0 110.571 169.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.6 mp -131.58 41.84 3.25 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 126.027 1.731 . . . . 0.0 109.611 177.625 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 62.0 m -93.76 -40.24 10.32 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.673 0.789 . . . . 0.0 113.119 -173.272 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 104.87 -145.14 15.89 Favored Glycine 0 CA--C 1.535 1.317 0 N-CA-C 110.117 -1.193 . . . . 0.0 110.117 -169.144 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 85.4 m -69.21 158.27 35.29 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 117.645 0.722 . . . . 0.0 112.17 172.316 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.42 1.54 74.72 Favored Glycine 0 CA--C 1.536 1.39 0 N-CA-C 116.516 1.366 . . . . 0.0 116.516 171.197 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 55.5 t -134.99 125.73 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 CA-C-N 119.04 1.42 . . . . 0.0 111.212 -176.364 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 62.1 m-80 -132.32 1.77 3.82 Favored 'General case' 0 CA--C 1.554 1.101 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 177.121 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 71.1 mt 42.27 66.95 3.69 Favored Pre-proline 0 CA--C 1.556 1.19 0 C-N-CA 126.347 1.859 . . . . 0.0 114.786 -177.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -50.98 -29.37 27.13 Favored 'Trans proline' 0 CA--C 1.555 1.549 0 C-N-CA 123.322 2.681 . . . . 0.0 118.965 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -75.6 -160.89 0.11 Allowed 'Trans proline' 0 CA--C 1.546 1.092 0 C-N-CA 122.726 2.284 . . . . 0.0 115.143 -176.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -57.72 -9.46 1.23 Allowed 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.618 1.567 . . . . 0.0 115.001 174.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -61.4 -14.95 31.96 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.671 1.588 . . . . 0.0 115.075 172.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.6 m -116.1 0.92 8.32 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 124.535 1.134 . . . . 0.0 113.97 173.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 43.0 p -94.01 4.6 53.67 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.435 1.094 . . . . 0.0 113.378 178.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -75.28 179.14 5.32 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.956 1.302 . . . . 0.0 111.824 177.063 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -64.56 -37.91 89.2 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 121.444 -0.785 . . . . 0.0 112.622 -170.123 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 27.0 mt -137.67 137.85 44.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 123.719 0.808 . . . . 0.0 110.457 169.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -128.49 135.45 49.46 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.167 0.987 . . . . 0.0 109.39 168.589 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -135.78 153.64 51.47 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.083 0.953 . . . . 0.0 111.41 174.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -123.21 116.19 22.98 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.945 0.898 . . . . 0.0 111.576 172.13 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 41.8 m0 -106.46 83.57 1.89 Allowed 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 126.368 1.867 . . . . 0.0 109.348 -175.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -79.27 74.94 5.84 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.147 0.979 . . . . 0.0 111.467 -174.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 84.9 mt -86.74 161.66 18.28 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.666 1.186 . . . . 0.0 109.625 172.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -69.14 160.79 30.43 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.646 0.736 . . . . 0.0 110.938 173.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.433 ' HA ' ' HD3' ' A' ' 104' ' ' PRO . 11.6 t70 -102.54 113.52 65.84 Favored Pre-proline 0 CA--C 1.547 0.864 0 CA-C-O 118.861 -0.59 . . . . 0.0 111.854 -175.776 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 103' ' ' ASP . 51.5 Cg_exo -73.51 -8.13 21.24 Favored 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 123.027 2.485 . . . . 0.0 116.957 -171.237 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -57.46 112.16 1.33 Allowed 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.292 0.951 . . . . 0.0 112.143 -178.055 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.44 14.85 80.64 Favored Glycine 0 CA--C 1.538 1.479 0 CA-C-O 119.044 -0.864 . . . . 0.0 114.556 -178.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -88.41 -95.68 0.09 Allowed 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 118.653 1.227 . . . . 0.0 110.803 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 59.4 p -160.16 164.29 33.01 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 126.445 1.898 . . . . 0.0 110.119 174.143 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 51.8 mt -64.85 -34.3 78.06 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.675 -0.641 . . . . 0.0 111.744 175.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -61.29 -38.6 87.36 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.328 0.651 . . . . 0.0 112.18 171.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 65.4 t -70.04 -39.27 77.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 O-C-N 121.153 -0.967 . . . . 0.0 111.591 173.22 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -58.48 -48.46 80.69 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.634 1.107 . . . . 0.0 111.43 171.222 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 63.8 mtp85 -60.18 -39.1 85.3 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.959 1.304 . . . . 0.0 112.035 177.188 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 62.0 m -64.05 -37.76 88.62 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.714 1.206 . . . . 0.0 112.189 176.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 53.4 t -78.95 -44.0 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 123.808 0.843 . . . . 0.0 111.402 176.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -50.81 -48.96 59.57 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 126.511 1.924 . . . . 0.0 112.404 179.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -63.26 -36.45 93.43 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 123.642 0.639 . . . . 0.0 113.315 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -75.21 -39.2 60.3 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 117.868 0.834 . . . . 0.0 112.159 177.119 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 94.9 t -58.28 -47.96 86.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 O-C-N 121.407 -0.808 . . . . 0.0 110.531 169.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.411 ' HA ' HG22 ' A' ' 123' ' ' VAL . 78.0 tttt -57.28 -53.91 52.78 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.581 1.152 . . . . 0.0 111.871 175.729 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -61.37 -35.38 77.31 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.739 1.154 . . . . 0.0 111.968 -178.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 36.9 mtt180 -70.82 -41.66 71.25 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 116.998 -1.477 . . . . 0.0 112.996 175.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.411 HG22 ' HA ' ' A' ' 120' ' ' LYS . 30.8 m -63.8 -39.74 86.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-N 121.296 1.862 . . . . 0.0 113.1 171.355 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -62.6 -41.83 99.21 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 120.085 1.311 . . . . 0.0 111.811 175.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -31.76 72.4 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 177.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 54.4 tp -76.13 -48.99 18.57 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.821 0.848 . . . . 0.0 112.15 179.316 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 10.3 pt -63.17 -29.58 47.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-N 119.501 1.046 . . . . 0.0 112.555 -176.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.45 -20.04 63.77 Favored 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 174.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -86.74 -44.79 11.51 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.804 1.242 . . . . 0.0 112.892 173.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.293 1.4 pp -101.46 -0.3 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 N-CA-C 116.637 2.088 . . . . 0.0 116.637 -169.459 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 63.7 p . . . . . 0 C--O 1.255 1.348 0 CA-C-N 120.101 1.319 . . . . 0.0 113.732 175.111 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.457 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 17.6 ttt . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 119.652 -0.213 . . . . 0.0 111.328 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -130.55 166.2 21.1 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 125.5 1.52 . . . . 0.0 111.612 173.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -104.4 139.52 39.23 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.746 1.218 . . . . 0.0 111.239 -177.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.6 t -125.63 141.66 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 124.476 1.11 . . . . 0.0 110.23 179.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 7.1 tpp -134.61 134.61 41.42 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.878 0.871 . . . . 0.0 110.459 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -110.16 119.59 39.74 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.525 1.13 . . . . 0.0 111.667 -174.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.7 t -96.08 138.18 22.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 126.423 1.889 . . . . 0.0 111.157 173.155 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.3 t -136.45 173.58 11.55 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.874 1.669 . . . . 0.0 108.481 169.621 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.83 -45.74 73.8 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.217 -1.552 . . . . 0.0 112.169 -174.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.271 0.2 OUTLIER -125.73 10.54 7.76 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 116.707 2.114 . . . . 0.0 116.707 177.103 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.269 9.2 t-20 46.68 32.39 1.7 Allowed 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 128.861 2.864 . . . . 0.0 115.999 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.3 p -86.04 -40.18 16.05 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.566 1.546 . . . . 0.0 112.681 175.001 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.2 p -138.6 175.6 9.42 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 126.964 2.106 . . . . 0.0 110.835 -170.059 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.2 mtm-85 55.46 -78.35 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 126.909 2.084 . . . . 0.0 113.953 -171.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.8 p -48.38 -40.31 25.26 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 126.772 2.029 . . . . 0.0 114.499 179.122 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -67.46 -38.93 85.19 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.519 0.728 . . . . 0.0 111.742 176.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.3 mtp -72.84 -33.55 66.23 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.747 1.219 . . . . 0.0 111.459 176.3 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.47 -44.45 96.36 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.907 0.883 . . . . 0.0 111.517 171.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.49 -41.13 93.65 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.476 0.71 . . . . 0.0 111.858 170.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.91 -49.88 73.57 Favored Glycine 0 N--CA 1.471 0.987 0 C-N-CA 124.269 0.937 . . . . 0.0 114.431 173.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -67.64 -44.25 78.4 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.965 1.382 . . . . 0.0 111.661 176.514 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.69 -39.27 88.02 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.018 0.748 . . . . 0.0 113.018 -176.388 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.5 pttt -67.82 -26.7 66.19 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 119.974 1.261 . . . . 0.0 113.225 178.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.9 m -84.42 -55.81 3.96 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.294 1.438 . . . . 0.0 112.533 177.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 72.0 mt -81.74 -26.56 34.43 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.314 1.446 . . . . 0.0 112.328 -174.151 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -99.62 9.3 60.46 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 126.43 1.967 . . . . 0.0 114.553 176.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.92 113.73 0.85 Allowed 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 119.919 1.859 . . . . 0.0 112.651 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.86 -20.81 5.17 Favored Glycine 0 CA--C 1.539 1.592 0 C-N-CA 125.212 1.387 . . . . 0.0 115.087 -177.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.457 ' O ' ' HA ' ' A' ' 1' ' ' MET . 33.4 mtpt -74.94 -37.68 61.94 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.276 1.43 . . . . 0.0 110.374 169.687 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.5 pp -143.81 172.17 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 125.624 1.57 . . . . 0.0 113.3 177.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -125.51 142.42 51.51 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.457 1.503 . . . . 0.0 108.033 168.03 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.38 154.19 29.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 N-CA-C 115.601 1.704 . . . . 0.0 115.601 -169.118 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.7 m -146.87 155.22 42.15 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.34 1.856 . . . . 0.0 109.225 176.452 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 77.6 p -127.47 150.32 49.71 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 120.628 -1.295 . . . . 0.0 111.657 169.161 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 17.2 p -153.28 -177.35 6.27 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.331 1.452 . . . . 0.0 110.532 -179.43 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -152.5 167.18 31.39 Favored Glycine 0 C--O 1.223 -0.537 0 O-C-N 120.518 -1.364 . . . . 0.0 112.295 170.013 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.499 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -64.7 -14.83 60.1 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 118.884 1.342 . . . . 0.0 112.617 173.754 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -139.54 167.76 21.35 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 127.208 2.203 . . . . 0.0 109.183 169.096 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.9 p -120.95 152.51 38.43 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.356 1.462 . . . . 0.0 110.555 169.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.3 p -135.03 -84.37 0.41 Allowed 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.217 1.007 . . . . 0.0 111.847 174.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -158.75 146.42 17.87 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 128.253 2.621 . . . . 0.0 109.012 175.545 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.406 ' CG1' HD11 ' A' ' 47' ' ' ILE . 0.5 OUTLIER -61.98 132.9 27.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 CA-C-N 119.639 1.108 . . . . 0.0 109.475 169.76 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -74.41 127.96 86.7 Favored Pre-proline 0 CA--C 1.536 0.414 0 CA-C-O 118.982 -0.533 . . . . 0.0 110.95 -173.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -72.84 -26.39 15.76 Favored 'Trans proline' 0 CA--C 1.538 0.679 0 CA-C-N 120.311 1.147 . . . . 0.0 112.37 -170.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.1 m -76.86 -27.84 55.2 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 121.364 -0.835 . . . . 0.0 111.45 175.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.19 -47.54 81.0 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 120.912 -1.118 . . . . 0.0 111.784 170.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.406 HD11 ' CG1' ' A' ' 42' ' ' VAL . 6.5 mt -56.89 -47.14 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 123.508 0.723 . . . . 0.0 110.238 175.491 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.52 -38.39 84.24 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 112.743 0.645 . . . . 0.0 112.743 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 8.7 mmt -77.69 -26.88 50.57 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.321 1.048 . . . . 0.0 112.15 -179.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 84.2 mmm -77.77 -29.74 51.09 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 118.918 0.781 . . . . 0.0 111.484 169.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -68.23 -23.48 64.81 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.033 -1.042 . . . . 0.0 112.888 175.476 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -61.33 -28.8 69.47 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 119.979 1.263 . . . . 0.0 112.933 173.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.1 p -103.95 10.02 8.94 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 C-N-CA 126.413 1.885 . . . . 0.0 111.647 178.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.14 18.7 79.79 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 124.841 1.21 . . . . 0.0 115.097 174.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 69.7 mt -103.64 132.0 50.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.989 1.316 . . . . 0.0 109.962 -177.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -98.8 124.79 43.9 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.94 0.896 . . . . 0.0 111.522 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.2 pt -125.23 25.13 3.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.135 0.974 . . . . 0.0 111.695 169.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.7 m -77.41 -29.25 52.99 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.563 1.145 . . . . 0.0 112.475 178.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -80.78 11.41 40.86 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 125.475 1.512 . . . . 0.0 115.332 178.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -134.26 153.49 51.83 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.071 1.748 . . . . 0.0 109.829 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.7 t -147.36 -176.33 5.19 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 124.134 0.974 . . . . 0.0 110.452 179.349 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.0 p -84.35 132.84 34.56 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 -169.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -140.08 147.09 49.2 Favored Pre-proline 0 CA--C 1.55 0.978 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 -177.342 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -87.49 146.4 7.2 Favored 'Trans proline' 0 CA--C 1.544 0.983 0 C-N-CA 123.634 2.889 . . . . 0.0 114.366 -170.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.9 tt -57.05 -36.1 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 127.536 2.334 . . . . 0.0 112.263 -177.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -69.73 -11.13 60.61 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.803 1.408 . . . . 0.0 114.803 -177.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -92.99 -12.31 31.02 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 170.628 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -99.64 174.03 6.43 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.13 1.372 . . . . 0.0 113.51 -170.347 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -124.49 86.27 2.54 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.342 1.457 . . . . 0.0 112.969 -169.744 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.33 -33.2 41.61 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -178.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -57.02 -27.37 61.56 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.291 1.436 . . . . 0.0 114.155 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -96.15 2.78 53.4 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 177.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -107.91 97.76 7.43 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.055 0.942 . . . . 0.0 108.576 176.192 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -51.75 -35.44 43.45 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.404 0.681 . . . . 0.0 111.787 178.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 47.4 t -124.49 138.25 54.6 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 C-N-CA 124.522 1.129 . . . . 0.0 110.648 173.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 44.8 t -121.51 137.55 54.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 123.987 0.915 . . . . 0.0 109.827 169.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 27.4 mm -122.23 131.17 73.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 C-N-CA 124.475 1.11 . . . . 0.0 109.643 -178.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.0 m -97.18 139.38 33.24 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.282 0.633 . . . . 0.0 109.842 168.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.4 mp -127.82 46.15 2.61 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 125.56 1.544 . . . . 0.0 109.118 176.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 80.2 m -118.74 127.4 53.52 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 127.132 2.173 . . . . 0.0 110.098 -177.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -64.69 81.02 0.06 OUTLIER Glycine 0 CA--C 1.537 1.407 0 C-N-CA 125.733 1.635 . . . . 0.0 115.275 179.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 4.5 t 63.36 -28.62 0.08 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 129.336 3.054 . . . . 0.0 119.006 169.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -75.8 10.53 13.2 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 124.829 1.204 . . . . 0.0 115.473 -177.157 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 60.2 t -138.96 136.12 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 126.571 1.948 . . . . 0.0 110.296 -169.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -136.8 -3.29 2.06 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 116.381 1.993 . . . . 0.0 116.381 -175.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.9 mt 44.36 66.62 4.76 Favored Pre-proline 0 CA--C 1.555 1.166 0 C-N-CA 125.951 1.7 . . . . 0.0 114.979 -178.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -50.82 -29.3 25.96 Favored 'Trans proline' 0 CA--C 1.554 1.513 0 C-N-CA 123.496 2.797 . . . . 0.0 119.151 178.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -76.84 -160.33 0.11 Allowed 'Trans proline' 0 CA--C 1.548 1.2 0 C-N-CA 122.662 2.241 . . . . 0.0 114.926 -176.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -54.16 -11.34 0.46 Allowed 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 126.324 1.85 . . . . 0.0 115.3 173.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 88.1 m95 -60.5 -16.69 39.48 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.681 1.592 . . . . 0.0 114.839 173.028 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 32.9 m -117.31 3.21 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 174.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 43.3 p -94.21 4.03 54.44 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.334 1.054 . . . . 0.0 112.931 177.107 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 75.5 mm-40 -75.74 177.3 6.98 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.612 1.165 . . . . 0.0 111.817 177.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -65.44 -38.74 90.77 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 121.209 -0.932 . . . . 0.0 112.798 -169.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 41.6 mt -134.34 139.38 48.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 124.196 0.998 . . . . 0.0 110.308 170.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -130.18 131.22 45.51 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.454 1.102 . . . . 0.0 109.513 168.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -133.45 153.49 51.57 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.805 1.242 . . . . 0.0 111.204 176.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -127.4 101.32 6.4 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.146 0.979 . . . . 0.0 111.241 -178.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 35.5 m0 -95.08 86.4 4.59 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.923 1.689 . . . . 0.0 111.036 -174.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -77.01 117.1 18.26 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.624 0.77 . . . . 0.0 110.584 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 65.0 mt -138.59 170.29 16.26 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.748 2.019 . . . . 0.0 111.206 -178.25 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -62.41 172.25 1.61 Allowed 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 122.968 1.366 . . . . 0.0 113.327 175.193 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -119.62 92.92 46.89 Favored Pre-proline 0 CA--C 1.542 0.637 0 C-N-CA 125.664 1.586 . . . . 0.0 110.971 -175.135 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -70.7 -15.13 33.57 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 123.434 2.756 . . . . 0.0 116.371 -170.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -57.32 100.15 0.05 OUTLIER 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.948 1.699 . . . . 0.0 111.738 -177.217 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 87.16 13.62 65.79 Favored Glycine 0 CA--C 1.54 1.622 0 N-CA-C 115.578 0.991 . . . . 0.0 115.578 -176.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -90.26 -104.38 0.1 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.944 1.297 . . . . 0.0 111.557 179.224 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 60.6 p -155.05 164.78 38.4 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 126.727 2.011 . . . . 0.0 110.531 179.098 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 53.8 mt -63.48 -36.92 85.36 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 121.689 -0.632 . . . . 0.0 111.858 176.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -60.18 -39.09 85.22 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.39 0.676 . . . . 0.0 112.096 173.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 73.2 t -71.72 -37.61 63.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 O-C-N 121.258 -0.901 . . . . 0.0 111.538 174.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -60.43 -47.74 84.79 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 119.714 1.143 . . . . 0.0 111.43 171.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -61.78 -37.73 85.43 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.387 1.075 . . . . 0.0 111.932 177.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 52.6 m -63.0 -42.25 99.8 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 124.245 1.018 . . . . 0.0 112.066 176.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 60.1 t -71.58 -46.39 63.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 123.608 0.763 . . . . 0.0 112.068 172.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -53.1 -46.52 68.73 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 126.155 1.782 . . . . 0.0 112.359 -177.302 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -62.04 -36.68 93.25 Favored Glycine 0 N--CA 1.475 1.272 0 C-N-CA 123.128 0.394 . . . . 0.0 113.19 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -77.58 -43.92 30.16 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 121.9 -0.765 . . . . 0.0 111.517 177.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 57.5 t -56.13 -43.3 75.56 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 CA-C-N 119.39 0.995 . . . . 0.0 111.433 171.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -58.27 -56.71 18.57 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.0 0.92 . . . . 0.0 111.328 174.164 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -34.21 77.67 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 118.219 -0.896 . . . . 0.0 112.211 -175.51 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -61.86 -43.47 98.78 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 119.351 0.978 . . . . 0.0 110.784 174.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 20.3 t -61.6 -48.52 88.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 CA-C-O 118.399 -0.81 . . . . 0.0 113.07 170.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -60.38 -35.63 76.19 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 120.34 1.427 . . . . 0.0 112.705 178.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.74 -28.87 62.89 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 176.521 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 58.2 tp -76.88 -46.02 26.05 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.909 0.884 . . . . 0.0 112.514 176.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 7.9 pt -63.93 -26.01 39.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 CA-C-N 119.936 1.244 . . . . 0.0 112.659 179.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.8 -27.45 68.89 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 171.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 62.2 mtpt -86.12 -37.19 19.05 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.589 1.556 . . . . 0.0 113.01 -177.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.275 1.8 pp -120.18 6.27 6.43 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 N-CA-C 117.041 2.237 . . . . 0.0 117.041 -170.062 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 42.6 t . . . . . 0 C--O 1.255 1.353 0 CA-C-N 119.922 1.237 . . . . 0.0 111.26 169.517 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.461 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 16.7 ttt . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 119.535 -0.269 . . . . 0.0 111.197 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -130.47 161.62 31.02 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 125.599 1.56 . . . . 0.0 111.88 175.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -102.84 139.42 38.44 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.92 1.288 . . . . 0.0 111.237 -176.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.9 t -123.64 140.96 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.945 1.298 . . . . 0.0 110.187 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.6 tpp -135.0 132.66 38.58 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 123.66 0.784 . . . . 0.0 110.199 178.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -104.03 135.72 45.01 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.289 1.036 . . . . 0.0 111.194 -178.146 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.3 t -115.5 128.86 72.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 126.613 1.965 . . . . 0.0 109.61 171.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.4 t -128.51 177.57 6.91 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.841 1.257 . . . . 0.0 109.695 169.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.71 -48.09 41.73 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.43 -1.419 . . . . 0.0 112.784 -172.339 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.309 0.2 OUTLIER -120.1 11.86 11.76 Favored 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 115.929 1.825 . . . . 0.0 115.929 175.302 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 53.29 36.89 23.93 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 126.847 2.059 . . . . 0.0 114.683 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.0 p -93.83 -45.23 7.74 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 -172.026 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.2 p -130.74 -71.9 0.57 Allowed 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 114.536 1.309 . . . . 0.0 114.536 -169.479 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 96.3 mtm-85 -58.03 -48.06 81.2 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -169.144 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.0 p -66.37 -34.8 78.77 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.454 0.701 . . . . 0.0 112.315 176.103 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -71.57 -39.66 70.45 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.096 0.958 . . . . 0.0 111.427 -179.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 54.9 mtp -74.18 -31.93 62.87 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.624 1.569 . . . . 0.0 111.556 175.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.89 -42.53 97.44 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.689 0.796 . . . . 0.0 111.713 172.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -61.56 -39.28 90.54 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 118.859 -0.591 . . . . 0.0 110.832 169.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.78 -49.01 59.92 Favored Glycine 0 N--CA 1.474 1.221 0 C-N-CA 124.685 1.136 . . . . 0.0 114.515 173.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -72.93 -43.45 62.37 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 120.856 -1.379 . . . . 0.0 112.269 175.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.3 -36.82 82.31 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -176.404 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.6 ptmm? -65.73 -28.01 68.73 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-N 119.773 1.169 . . . . 0.0 113.027 177.072 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.9 m -89.47 -54.13 4.22 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.281 1.432 . . . . 0.0 112.376 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.7 mt -83.94 -24.67 30.59 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.254 1.421 . . . . 0.0 112.245 -173.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -99.2 5.46 59.17 Favored Glycine 0 CA--C 1.526 0.777 0 C-N-CA 126.237 1.875 . . . . 0.0 114.532 176.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.81 113.07 0.76 Allowed 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 120.009 1.905 . . . . 0.0 112.716 -177.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.66 -21.89 7.09 Favored Glycine 0 CA--C 1.538 1.513 0 C-N-CA 124.898 1.237 . . . . 0.0 114.774 -178.364 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 1' ' ' MET . 30.0 mtpt -75.95 -38.69 57.31 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.945 1.298 . . . . 0.0 110.645 169.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.4 pp -142.75 170.93 10.62 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 125.436 1.494 . . . . 0.0 112.707 -179.544 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -125.99 146.5 49.85 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.096 1.358 . . . . 0.0 108.507 168.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.81 149.78 25.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 N-CA-C 115.838 1.792 . . . . 0.0 115.838 -169.364 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.9 m -138.95 149.42 44.74 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.739 1.616 . . . . 0.0 109.757 174.379 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.3 t -118.63 137.38 53.32 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.61 1.564 . . . . 0.0 111.596 174.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 14.3 p -150.28 -177.81 6.15 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.308 1.443 . . . . 0.0 112.231 176.083 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -151.56 167.95 30.95 Favored Glycine 0 N--CA 1.467 0.766 0 O-C-N 120.403 -1.436 . . . . 0.0 112.436 169.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.498 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -63.99 -17.45 63.32 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 118.487 1.143 . . . . 0.0 112.318 172.137 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -140.07 162.17 35.87 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.963 2.105 . . . . 0.0 108.222 168.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.9 p -144.68 138.59 27.41 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.494 1.118 . . . . 0.0 111.726 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.1 t -133.93 -71.4 0.5 Allowed 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 173.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.36 159.35 38.68 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.904 1.282 . . . . 0.0 112.034 173.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.9 t -65.93 136.79 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 169.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 34.7 t-80 -65.1 122.6 80.58 Favored Pre-proline 0 CA--C 1.531 0.239 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 173.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -69.06 -23.57 33.82 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 CA-C-N 120.711 1.29 . . . . 0.0 112.17 -169.311 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.5 m -68.97 -25.69 64.66 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.19 -0.943 . . . . 0.0 112.29 172.368 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.57 -40.47 96.96 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 120.482 -1.386 . . . . 0.0 111.851 173.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -57.12 -46.06 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 173.459 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.25 -39.54 89.58 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.757 -0.59 . . . . 0.0 112.516 -178.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 7.6 mmt -74.92 -29.35 60.94 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.805 0.842 . . . . 0.0 112.17 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 81.1 mmm -76.22 -32.37 58.9 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 118.881 0.764 . . . . 0.0 111.335 169.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -67.83 -21.15 65.22 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 175.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -62.92 -25.65 68.43 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 120.099 1.318 . . . . 0.0 112.007 169.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.8 t -89.4 -5.8 10.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 126.11 1.764 . . . . 0.0 111.574 174.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.9 17.44 76.94 Favored Glycine 0 CA--C 1.542 1.73 0 O-C-N 120.988 -1.07 . . . . 0.0 113.41 -169.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.5 mt -95.71 126.95 48.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 124.888 1.275 . . . . 0.0 109.545 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -96.89 124.29 40.83 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.148 0.579 . . . . 0.0 112.006 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 9.5 pt -123.11 9.52 5.32 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 C-N-CA 125.25 1.42 . . . . 0.0 112.832 169.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 93.7 p -66.18 -19.26 65.78 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 120.461 -1.4 . . . . 0.0 114.431 -172.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.73 -1.07 76.56 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 124.828 1.204 . . . . 0.0 115.189 172.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -80.08 154.19 28.26 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.609 1.705 . . . . 0.0 111.87 178.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 23.9 p -145.32 142.94 29.87 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 128.232 2.613 . . . . 0.0 105.697 169.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 38.4 m -79.44 147.42 32.31 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 121.291 -0.881 . . . . 0.0 113.127 -169.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -145.83 150.47 42.96 Favored Pre-proline 0 N--CA 1.479 0.977 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -175.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -91.66 148.63 3.39 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 123.406 2.737 . . . . 0.0 113.42 -170.54 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.1 tt -54.2 -35.31 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 126.676 1.99 . . . . 0.0 111.975 177.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -60.34 -24.5 65.09 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.079 1.352 . . . . 0.0 114.129 -178.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -91.2 -12.77 34.34 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 178.521 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -96.74 169.55 9.79 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.809 1.244 . . . . 0.0 114.048 -169.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -118.47 86.34 2.52 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.205 1.402 . . . . 0.0 112.703 -169.652 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.27 -34.24 22.63 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -178.045 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -60.64 -23.73 64.99 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.165 1.386 . . . . 0.0 114.471 -176.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -99.15 3.24 46.47 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.937 0.895 . . . . 0.0 113.189 178.238 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -106.09 99.28 8.88 Favored 'General case' 0 N--CA 1.464 0.233 0 O-C-N 121.221 -0.924 . . . . 0.0 108.582 176.091 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -53.03 -35.63 59.67 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.233 0.613 . . . . 0.0 111.694 177.542 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 43.3 t -125.33 138.26 54.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 C-N-CA 124.345 1.058 . . . . 0.0 110.979 175.039 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 52.1 t -121.67 139.69 47.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.298 1.039 . . . . 0.0 110.301 170.05 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 23.9 mm -126.93 130.35 71.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 C-N-CA 124.383 1.073 . . . . 0.0 110.582 -174.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 37.8 t -100.45 136.99 39.47 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.714 0.806 . . . . 0.0 112.294 169.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.2 mp -135.04 45.31 2.53 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.098 1.759 . . . . 0.0 109.607 177.393 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 72.8 m -89.72 -18.88 25.54 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 116.405 2.002 . . . . 0.0 116.405 -168.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 80.57 47.15 6.95 Favored Glycine 0 CA--C 1.536 1.354 0 CA-C-N 118.974 0.806 . . . . 0.0 112.721 -172.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 63.4 m 61.36 177.79 0.11 Allowed 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 126.878 2.071 . . . . 0.0 114.133 -173.009 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 76.15 9.2 85.58 Favored Glycine 0 CA--C 1.539 1.587 0 N-CA-C 115.634 1.013 . . . . 0.0 115.634 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 97.0 t -135.97 128.92 46.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 126.021 1.728 . . . . 0.0 110.025 -177.206 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -130.28 -5.73 4.31 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 115.264 1.579 . . . . 0.0 115.264 -174.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 61.5 mt 43.06 66.15 4.74 Favored Pre-proline 0 N--CA 1.482 1.162 0 C-N-CA 126.217 1.807 . . . . 0.0 114.983 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -50.66 -28.75 23.34 Favored 'Trans proline' 0 CA--C 1.556 1.577 0 C-N-CA 123.634 2.889 . . . . 0.0 119.245 178.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -76.61 -160.22 0.11 Allowed 'Trans proline' 0 CA--C 1.548 1.201 0 C-N-CA 122.72 2.28 . . . . 0.0 114.627 -176.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -58.35 -9.55 1.61 Allowed 'General case' 0 N--CA 1.478 0.963 0 O-C-N 120.253 -1.529 . . . . 0.0 114.857 175.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -58.72 -16.4 16.39 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.993 1.717 . . . . 0.0 114.878 172.13 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.9 m -117.95 2.58 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 124.425 1.09 . . . . 0.0 113.934 173.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 35.5 p -95.34 3.55 54.31 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.397 1.079 . . . . 0.0 113.193 177.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 75.5 mm-40 -73.94 177.76 5.39 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.53 1.132 . . . . 0.0 111.863 175.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -64.21 -38.75 92.18 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.39 -0.819 . . . . 0.0 112.719 -170.272 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 20.2 mt -137.2 136.57 47.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 123.729 0.811 . . . . 0.0 110.475 171.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -123.38 131.15 53.56 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.111 0.964 . . . . 0.0 108.489 168.588 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -128.47 153.0 47.6 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.72 0.808 . . . . 0.0 111.266 174.455 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -130.58 122.53 27.69 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.332 0.653 . . . . 0.0 110.739 169.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 12.8 m95 -119.68 102.95 8.97 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.123 0.969 . . . . 0.0 108.99 -178.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 -91.21 115.09 27.75 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.495 0.718 . . . . 0.0 109.922 -170.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 81.7 mt -126.8 173.37 9.6 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.94 1.696 . . . . 0.0 112.241 -172.55 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 23.8 mp0 -64.87 166.69 8.7 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.051 1.74 . . . . 0.0 111.654 175.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -117.45 98.79 52.17 Favored Pre-proline 0 CA--C 1.543 0.684 0 C-N-CA 124.837 1.255 . . . . 0.0 111.23 -178.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -72.85 -14.27 26.7 Favored 'Trans proline' 0 C--N 1.356 0.967 0 C-N-CA 123.508 2.805 . . . . 0.0 116.247 -171.407 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -57.72 106.45 0.35 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.868 1.267 . . . . 0.0 111.807 -176.195 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 81.9 14.88 76.53 Favored Glycine 0 CA--C 1.54 1.595 0 C-N-CA 124.361 0.981 . . . . 0.0 114.95 -177.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -92.03 -101.75 0.12 Allowed 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.661 1.184 . . . . 0.0 111.354 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 66.8 p -157.68 164.52 37.08 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 126.264 1.825 . . . . 0.0 110.303 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 77.3 mt -62.72 -37.39 86.36 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.615 -0.678 . . . . 0.0 111.937 176.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -58.55 -38.06 77.02 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 121.621 -0.674 . . . . 0.0 112.512 172.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 77.8 t -73.19 -36.01 48.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 O-C-N 121.119 -0.988 . . . . 0.0 112.08 174.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -61.4 -46.03 91.84 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.574 1.079 . . . . 0.0 111.302 170.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 -62.37 -37.73 86.86 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.469 1.108 . . . . 0.0 111.869 176.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 53.3 m -61.84 -43.05 99.63 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.289 1.036 . . . . 0.0 111.922 174.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.14 -45.97 74.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 O-C-N 121.122 -0.986 . . . . 0.0 111.629 173.235 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 57.5 ttp180 -50.98 -49.08 60.96 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.746 1.618 . . . . 0.0 112.083 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -61.49 -37.33 93.96 Favored Glycine 0 CA--C 1.532 1.153 0 C-N-CA 123.652 0.644 . . . . 0.0 113.076 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -75.51 -48.54 22.11 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 117.724 0.762 . . . . 0.0 111.342 177.363 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 79.7 t -53.61 -42.84 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 O-C-N 120.876 -1.14 . . . . 0.0 111.122 174.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -57.54 -55.69 31.62 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.156 0.982 . . . . 0.0 111.489 172.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -65.74 -35.28 80.28 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -174.106 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -64.77 -43.66 92.54 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.51 1.05 . . . . 0.0 110.85 175.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 13.8 t -61.41 -48.99 86.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 CA-C-O 117.814 -1.089 . . . . 0.0 113.1 171.525 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -59.75 -35.91 75.54 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 120.835 1.652 . . . . 0.0 112.458 179.045 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.34 -25.46 60.62 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 178.705 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 43.2 tp -83.37 -47.45 11.43 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.026 1.33 . . . . 0.0 111.893 178.482 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 7.9 pt -64.07 -28.82 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 CA-C-N 119.23 0.923 . . . . 0.0 112.652 -176.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.94 -20.15 64.2 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 175.17 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -85.22 -36.94 20.65 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.561 1.145 . . . . 0.0 113.024 174.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.2 pt -108.4 1.71 9.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 N-CA-C 116.286 1.958 . . . . 0.0 116.286 -169.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 54.0 p . . . . . 0 C--O 1.256 1.42 0 C-N-CA 124.339 1.056 . . . . 0.0 113.413 173.596 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.442 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 55.2 ttm . . . . . 0 N--CA 1.488 1.448 0 N-CA-C 111.57 0.211 . . . . 0.0 111.57 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -130.02 164.14 24.96 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 126.359 1.864 . . . . 0.0 110.62 169.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.407 ' HB2' ' HE2' ' A' ' 3' ' ' LYS . 1.6 mppt? -107.78 141.01 39.99 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.693 1.197 . . . . 0.0 111.636 -174.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.6 t -121.9 139.68 48.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 124.275 1.03 . . . . 0.0 109.964 178.258 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.8 tpp -132.27 133.85 44.58 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 123.999 0.92 . . . . 0.0 110.307 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -108.24 135.13 50.07 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.521 1.128 . . . . 0.0 111.493 -176.042 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.4 t -115.42 120.68 65.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 126.812 2.045 . . . . 0.0 110.01 174.267 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 51.1 t -118.85 171.82 7.96 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.94 1.296 . . . . 0.0 110.516 169.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.3 ttpt -67.58 -45.92 74.16 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.499 -1.376 . . . . 0.0 113.424 -171.058 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.301 0.2 OUTLIER -123.4 14.4 9.59 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 115.432 1.642 . . . . 0.0 115.432 174.147 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.263 6.3 t-20 47.38 34.44 3.28 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 128.531 2.732 . . . . 0.0 116.171 -177.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.2 p -95.31 -42.55 8.47 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 125.453 1.501 . . . . 0.0 112.767 177.291 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.0 p -121.09 174.59 6.56 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.157 1.783 . . . . 0.0 111.964 -173.371 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 93.2 mtm-85 55.84 -75.82 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 127.456 2.302 . . . . 0.0 114.742 176.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.8 p -44.77 -43.3 8.47 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 126.718 2.007 . . . . 0.0 113.776 174.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -70.68 -34.47 72.03 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.868 0.867 . . . . 0.0 112.233 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 38.9 mtt -70.99 -34.96 71.89 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.239 1.016 . . . . 0.0 111.899 169.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.37 -42.14 98.84 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.358 0.663 . . . . 0.0 110.962 178.324 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -62.05 -40.38 95.57 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 118.91 -0.567 . . . . 0.0 110.991 169.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.16 -49.58 66.94 Favored Glycine 0 N--CA 1.473 1.14 0 C-N-CA 124.798 1.189 . . . . 0.0 114.838 174.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -70.74 -42.95 69.82 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 120.939 -1.33 . . . . 0.0 111.65 176.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.36 -39.51 85.7 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -178.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.3 ptmm? -64.71 -27.41 68.89 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-N 120.0 1.273 . . . . 0.0 113.17 177.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.3 m -87.08 -54.4 4.34 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.247 1.419 . . . . 0.0 112.66 178.125 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 69.0 mt -84.71 -22.97 29.55 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.226 1.41 . . . . 0.0 112.507 -171.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -102.02 9.19 56.38 Favored Glycine 0 CA--C 1.529 0.961 0 C-N-CA 126.28 1.895 . . . . 0.0 114.469 174.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.76 110.63 0.49 Allowed 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 119.554 1.677 . . . . 0.0 112.553 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.38 -13.5 60.0 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 124.341 0.972 . . . . 0.0 114.062 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 1' ' ' MET . 28.0 mtpt -85.99 -42.15 14.26 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.473 1.509 . . . . 0.0 110.934 169.455 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.3 pp -139.5 174.45 9.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.624 1.17 . . . . 0.0 113.128 -172.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -132.3 143.67 50.05 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.895 1.278 . . . . 0.0 108.679 168.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.22 148.58 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 -169.538 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.5 m -137.0 146.28 45.13 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.317 1.447 . . . . 0.0 110.112 175.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.7 t -116.09 136.77 52.72 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.629 1.572 . . . . 0.0 111.619 174.126 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 13.5 p -151.0 -177.51 6.06 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.685 1.594 . . . . 0.0 112.092 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -153.98 169.9 32.55 Favored Glycine 0 C--O 1.222 -0.613 0 O-C-N 120.174 -1.579 . . . . 0.0 112.331 171.304 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.534 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -63.84 -14.73 55.49 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 119.023 1.412 . . . . 0.0 112.975 174.753 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -154.44 165.6 35.91 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 127.419 2.288 . . . . 0.0 109.148 168.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.0 p -116.04 158.54 22.97 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.436 1.494 . . . . 0.0 112.569 -177.173 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.1 t -142.12 -82.08 0.21 Allowed 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.896 1.279 . . . . 0.0 110.688 170.047 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.72 158.93 18.21 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 127.959 2.504 . . . . 0.0 109.184 172.582 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.7 t -61.19 136.39 24.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 CA-C-N 120.483 1.492 . . . . 0.0 108.675 169.547 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -65.14 123.9 85.34 Favored Pre-proline 0 N--CA 1.466 0.348 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 175.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -69.95 -23.57 29.77 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 CA-C-N 120.271 1.133 . . . . 0.0 112.342 -168.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 47.7 m -70.69 -24.78 62.73 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.139 -0.975 . . . . 0.0 111.814 173.022 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.47 -39.85 95.55 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 120.716 -1.24 . . . . 0.0 111.808 174.064 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -55.79 -47.56 79.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 173.134 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.7 -42.86 97.93 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 120.841 0.353 . . . . 0.0 111.834 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 24.5 mmt -69.85 -24.4 63.43 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.423 1.089 . . . . 0.0 113.168 -179.218 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 81.9 mmm -81.1 -34.0 32.91 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.585 0.754 . . . . 0.0 111.6 169.43 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -67.8 -26.84 66.29 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.035 -1.041 . . . . 0.0 112.929 175.114 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -57.65 -30.18 65.2 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 119.473 1.033 . . . . 0.0 112.949 171.552 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . 0.255 6.2 p -107.22 13.56 8.3 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.881 0 C-N-CA 126.82 2.048 . . . . 0.0 111.259 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.5 20.86 79.45 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 125.391 1.472 . . . . 0.0 115.246 171.63 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 71.9 mt -110.78 140.69 28.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 125.573 1.549 . . . . 0.0 110.168 -177.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -107.24 123.91 48.98 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.632 0.773 . . . . 0.0 112.384 178.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.1 pt -120.94 10.15 6.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 125.142 1.377 . . . . 0.0 112.789 169.445 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.7 t -65.38 -26.56 68.06 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 120.617 -1.302 . . . . 0.0 112.869 -174.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -74.53 -1.04 60.28 Favored Glycine 0 CA--C 1.539 1.577 0 CA-C-O 118.613 -1.104 . . . . 0.0 115.311 172.481 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -89.92 155.46 19.11 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 119.643 1.721 . . . . 0.0 111.329 177.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 24.6 p -134.53 164.1 28.22 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 127.645 2.378 . . . . 0.0 108.231 176.165 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.5 p -93.23 140.33 29.65 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 176.091 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -143.4 147.49 40.22 Favored Pre-proline 0 CA--C 1.552 1.034 0 C-N-CA 124.48 1.112 . . . . 0.0 113.964 -176.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -84.96 147.59 10.53 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 124.005 3.137 . . . . 0.0 113.891 -174.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.9 tt -57.01 -35.22 46.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 127.422 2.289 . . . . 0.0 112.082 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -63.1 -22.47 66.88 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -177.523 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.24 -13.57 43.44 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 176.359 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -98.72 170.13 9.0 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.114 1.366 . . . . 0.0 113.629 -169.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -119.86 85.66 2.42 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.193 1.397 . . . . 0.0 112.96 -169.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.27 -35.72 18.65 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -58.99 -25.49 63.68 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.275 1.43 . . . . 0.0 114.101 -176.038 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -86.63 -30.44 21.77 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 176.558 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -79.97 99.51 7.66 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.525 -0.734 . . . . 0.0 109.396 -173.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -51.9 -33.04 35.17 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.776 0.83 . . . . 0.0 111.695 178.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 42.6 t -128.0 136.46 60.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 C-N-CA 124.333 1.053 . . . . 0.0 111.015 174.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.1 t -120.92 138.66 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.2 1.0 . . . . 0.0 110.119 170.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 27.1 mm -125.79 131.5 71.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 124.801 1.241 . . . . 0.0 108.922 -178.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 76.9 p -104.95 145.68 30.08 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.976 0.807 . . . . 0.0 110.707 169.222 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 mp -139.81 41.89 1.99 Allowed 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.554 1.542 . . . . 0.0 109.783 -172.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 46.6 m -113.25 -15.47 12.7 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 116.179 1.918 . . . . 0.0 116.179 -169.063 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 82.5 -176.78 53.59 Favored Glycine 0 CA--C 1.54 1.616 0 CA-C-N 119.116 0.871 . . . . 0.0 112.98 -169.535 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 67.4 m -67.5 -15.53 63.72 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 115.925 1.824 . . . . 0.0 115.925 -170.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -67.42 -1.72 16.71 Favored Glycine 0 CA--C 1.539 1.534 0 CA-C-N 118.927 0.785 . . . . 0.0 114.887 178.237 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 90.6 t -135.67 146.16 30.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 125.474 1.51 . . . . 0.0 113.454 -169.49 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -146.57 154.5 41.58 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.235 1.814 . . . . 0.0 108.067 168.446 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 73.0 mt -116.89 67.58 4.13 Favored Pre-proline 0 CA--C 1.55 0.968 0 C-N-CA 124.092 0.957 . . . . 0.0 111.044 -177.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -59.77 -16.05 35.37 Favored 'Trans proline' 0 CA--C 1.556 1.608 0 N-CA-C 118.652 2.52 . . . . 0.0 118.652 -174.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -74.03 -160.39 0.1 OUTLIER 'Trans proline' 0 CA--C 1.548 1.178 0 CA-C-N 123.443 2.265 . . . . 0.0 114.016 175.108 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -59.22 -9.58 2.27 Favored 'General case' 0 CA--C 1.549 0.932 0 O-C-N 120.193 -1.567 . . . . 0.0 114.689 175.111 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 92.5 m95 -58.35 -18.19 25.72 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.638 1.575 . . . . 0.0 114.958 172.595 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 35.2 m -115.78 1.25 8.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 124.453 1.101 . . . . 0.0 113.804 174.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 41.8 p -94.11 2.9 55.93 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.17 0.988 . . . . 0.0 113.111 178.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -73.62 176.25 6.37 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.82 1.248 . . . . 0.0 111.918 177.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -65.19 -37.31 86.93 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 121.317 -0.864 . . . . 0.0 112.642 -169.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 32.0 mt -135.85 137.25 49.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 123.901 0.881 . . . . 0.0 110.076 169.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -126.83 135.8 51.5 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.557 1.143 . . . . 0.0 109.93 169.056 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -136.78 153.38 50.84 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.375 1.07 . . . . 0.0 112.025 176.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -124.89 98.9 5.9 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.757 1.223 . . . . 0.0 110.191 178.164 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 39.4 m0 -90.77 80.02 5.93 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 125.537 1.535 . . . . 0.0 110.563 -177.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -71.73 116.29 11.93 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.659 178.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 92.7 mt -137.82 167.84 20.92 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.658 1.983 . . . . 0.0 109.762 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -74.7 178.98 5.04 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 122.026 0.917 . . . . 0.0 112.913 178.219 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -118.63 99.03 51.45 Favored Pre-proline 0 CA--C 1.544 0.716 0 C-N-CA 124.216 1.006 . . . . 0.0 112.495 -169.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -70.01 -11.91 31.42 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 124.145 3.23 . . . . 0.0 116.661 -173.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -55.32 108.25 0.4 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.822 1.249 . . . . 0.0 111.635 -179.241 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 77.84 14.58 82.21 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 124.321 0.962 . . . . 0.0 114.937 -178.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -90.35 -96.89 0.11 Allowed 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 118.796 1.298 . . . . 0.0 111.597 -179.194 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 60.0 p -158.22 162.93 37.89 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 126.475 1.91 . . . . 0.0 110.183 176.126 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 54.2 mt -65.1 -33.8 76.89 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.653 -0.654 . . . . 0.0 112.039 177.358 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -61.83 -39.11 90.67 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.096 0.558 . . . . 0.0 112.28 171.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 64.4 t -69.76 -37.69 74.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 O-C-N 120.74 -1.225 . . . . 0.0 111.335 174.033 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -58.9 -50.45 73.96 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.021 0.828 . . . . 0.0 111.431 170.226 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 23.3 mtp85 -55.08 -42.14 72.44 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.155 1.382 . . . . 0.0 112.37 174.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 89.1 m -63.16 -38.26 90.46 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.65 1.18 . . . . 0.0 112.292 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 58.0 t -77.73 -46.05 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 O-C-N 121.536 -0.728 . . . . 0.0 111.505 174.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 48.2 ttp180 -52.23 -47.89 65.45 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 126.577 1.951 . . . . 0.0 112.328 -178.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -61.53 -34.79 89.7 Favored Glycine 0 N--CA 1.476 1.341 0 C-N-CA 123.677 0.656 . . . . 0.0 113.383 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -77.34 -43.74 31.93 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.662 -0.905 . . . . 0.0 111.675 177.423 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 59.9 t -56.19 -43.95 77.79 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 O-C-N 121.2 -0.938 . . . . 0.0 111.289 170.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 38.8 tttm -56.81 -55.02 39.68 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.51 1.124 . . . . 0.0 111.732 173.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -65.94 -35.1 79.68 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 118.601 -0.714 . . . . 0.0 112.554 -174.53 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 28.9 mmm180 -63.76 -43.06 97.55 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.397 0.999 . . . . 0.0 111.083 173.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 19.1 t -59.81 -51.28 74.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 CA-C-N 119.567 1.076 . . . . 0.0 113.342 171.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -59.18 -35.64 73.93 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 120.613 1.551 . . . . 0.0 112.658 179.059 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.27 -29.89 63.05 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 177.645 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 48.0 tp -76.58 -50.45 13.85 Favored 'General case' 0 CA--C 1.524 -0.056 0 C-N-CA 124.048 0.939 . . . . 0.0 111.555 178.138 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 6.5 pt -61.79 -33.17 56.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 CA-C-N 119.366 0.985 . . . . 0.0 111.819 -174.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.47 -21.21 66.61 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 175.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -85.33 -41.05 15.85 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.656 1.183 . . . . 0.0 112.887 174.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.253 1.9 pp -106.05 -0.66 9.99 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 -169.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 39.8 m . . . . . 0 C--O 1.254 1.294 0 C-N-CA 124.23 1.012 . . . . 0.0 112.386 174.382 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.452 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 56.7 ttm . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 119.694 -0.193 . . . . 0.0 111.472 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -128.82 166.43 19.07 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 125.99 1.716 . . . . 0.0 110.829 169.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -107.41 141.46 38.77 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.75 1.22 . . . . 0.0 111.91 -175.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.8 t -123.05 140.69 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 124.536 1.134 . . . . 0.0 109.823 176.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.3 tpp -132.01 133.38 44.38 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.907 0.883 . . . . 0.0 109.987 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -106.98 131.67 53.79 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.839 0.856 . . . . 0.0 111.248 -177.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.3 t -109.23 132.3 57.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 126.639 1.976 . . . . 0.0 109.961 171.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 46.9 t -130.73 171.84 12.66 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.322 1.449 . . . . 0.0 108.835 169.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -63.74 -50.89 67.33 Favored 'General case' 0 N--CA 1.484 1.261 0 O-C-N 120.677 -1.264 . . . . 0.0 112.714 -169.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.302 0.0 OUTLIER -121.77 15.75 10.99 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 115.943 1.831 . . . . 0.0 115.943 173.927 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 53.55 23.7 3.67 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 128.739 2.816 . . . . 0.0 116.482 -176.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.3 p -82.31 -31.02 30.16 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.419 1.087 . . . . 0.0 113.605 -176.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.5 t -149.46 -177.31 5.79 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.577 1.551 . . . . 0.0 110.955 -174.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.7 mtm-85 57.13 -77.11 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 127.682 2.393 . . . . 0.0 114.235 -175.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 54.1 p -44.25 -43.2 7.13 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 126.52 1.928 . . . . 0.0 113.684 174.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -68.88 -37.54 79.1 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.451 1.1 . . . . 0.0 112.254 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.1 mtt -68.73 -35.06 76.65 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.071 0.949 . . . . 0.0 111.569 170.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.62 -42.72 95.31 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.383 0.673 . . . . 0.0 110.72 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -62.24 -43.39 98.93 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 118.908 -0.568 . . . . 0.0 110.957 169.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.16 -48.5 63.27 Favored Glycine 0 N--CA 1.475 1.239 0 C-N-CA 124.455 1.026 . . . . 0.0 114.74 175.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -71.15 -45.72 62.96 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 121.15 -1.206 . . . . 0.0 111.71 175.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.54 -40.24 95.23 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 -177.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -67.44 -25.06 65.72 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 119.414 1.006 . . . . 0.0 113.273 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.2 m -87.43 -55.18 3.91 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.452 1.501 . . . . 0.0 112.558 176.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 76.4 mt -80.94 -30.74 35.19 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.211 1.404 . . . . 0.0 112.151 -172.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -97.46 11.62 65.04 Favored Glycine 0 CA--C 1.527 0.795 0 C-N-CA 126.258 1.885 . . . . 0.0 114.512 175.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.95 112.3 0.76 Allowed 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 119.511 1.656 . . . . 0.0 112.44 178.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.9 -13.89 58.07 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 124.444 1.021 . . . . 0.0 114.356 -178.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 1' ' ' MET . 22.2 mtpp -86.22 -41.11 14.91 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.345 1.458 . . . . 0.0 110.74 169.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.3 pp -139.68 174.28 9.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 124.839 1.256 . . . . 0.0 113.513 -174.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -131.05 141.87 50.24 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.3 1.44 . . . . 0.0 108.453 168.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -138.67 151.21 23.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 N-CA-C 114.828 1.418 . . . . 0.0 114.828 -169.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.0 m -140.6 147.07 38.82 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.564 1.545 . . . . 0.0 109.752 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.7 t -117.12 139.26 50.95 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.338 1.455 . . . . 0.0 111.962 174.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 15.0 p -153.26 -178.51 7.01 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.239 1.415 . . . . 0.0 112.662 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -152.98 161.55 29.65 Favored Glycine 0 C--O 1.223 -0.591 0 O-C-N 120.143 -1.598 . . . . 0.0 112.937 170.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.588 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -67.13 -16.12 64.13 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 117.917 0.859 . . . . 0.0 113.226 178.03 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -133.82 165.48 24.87 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 127.104 2.162 . . . . 0.0 108.12 168.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.0 t -127.71 143.46 51.14 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.615 0.766 . . . . 0.0 112.111 178.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 81.8 p -136.52 -99.47 0.21 Allowed 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.299 1.44 . . . . 0.0 111.457 176.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -155.27 155.12 33.23 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 127.859 2.463 . . . . 0.0 110.064 171.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -59.37 135.99 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 118.528 0.604 . . . . 0.0 111.377 170.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -72.25 127.22 90.59 Favored Pre-proline 0 CA--C 1.531 0.232 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 175.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.24 -26.21 25.55 Favored 'Trans proline' 0 CA--C 1.537 0.653 0 CA-C-N 120.503 1.215 . . . . 0.0 112.733 -169.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 20.4 m -68.29 -25.37 65.11 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.46 -0.775 . . . . 0.0 111.911 174.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.49 -45.18 92.42 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 120.817 -1.177 . . . . 0.0 111.882 175.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.4 mt -61.77 -43.79 97.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 123.942 0.897 . . . . 0.0 110.425 176.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.27 -38.56 87.18 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.314 0.578 . . . . 0.0 112.286 177.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 21.6 mmt -74.97 -29.82 61.02 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.927 1.291 . . . . 0.0 112.525 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 83.0 mmm -77.56 -29.94 52.44 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.063 0.847 . . . . 0.0 111.747 169.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -69.6 -22.91 63.47 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.997 -1.064 . . . . 0.0 112.867 175.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -60.17 -29.55 68.76 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 119.714 1.143 . . . . 0.0 112.549 170.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.0 m -103.65 10.48 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 125.478 1.511 . . . . 0.0 112.755 176.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.41 20.59 79.43 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 125.018 1.294 . . . . 0.0 115.266 176.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.4 mt -104.8 133.91 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 125.031 1.332 . . . . 0.0 110.034 -178.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -101.11 125.59 47.74 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.557 0.743 . . . . 0.0 112.373 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 33.8 pt -123.44 12.18 5.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.958 1.303 . . . . 0.0 113.002 169.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.5 t -66.81 -25.17 66.32 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 120.599 -1.313 . . . . 0.0 113.29 -175.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.86 0.32 45.85 Favored Glycine 0 CA--C 1.542 1.754 0 C-N-CA 124.755 1.169 . . . . 0.0 115.204 171.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -110.43 151.56 27.35 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.686 1.594 . . . . 0.0 110.876 177.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.3 t -149.84 -178.6 6.56 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 125.757 1.623 . . . . 0.0 106.687 168.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.2 m -67.37 137.25 55.83 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 -176.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -140.36 145.04 39.45 Favored Pre-proline 0 CA--C 1.551 1.017 0 C-N-CA 125.402 1.481 . . . . 0.0 112.958 171.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -85.75 144.53 8.73 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 123.374 2.716 . . . . 0.0 114.245 -171.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.5 tt -53.87 -35.34 27.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 127.408 2.283 . . . . 0.0 111.82 176.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -62.86 -23.69 67.43 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 -177.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.94 -12.81 43.52 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 176.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -99.89 171.47 7.84 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.179 1.392 . . . . 0.0 113.172 -170.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -123.43 82.46 2.01 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.233 1.413 . . . . 0.0 113.165 -169.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.567 ' HB2' ' CD2' ' A' ' 90' ' ' TRP . . . -54.73 -27.99 44.88 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 -178.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -58.2 -32.29 68.13 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.232 1.413 . . . . 0.0 113.984 177.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -91.21 -29.38 17.25 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -178.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -71.26 109.52 5.34 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 177.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -56.77 -30.99 64.17 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 122.961 0.504 . . . . 0.0 111.592 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 46.6 t -130.93 138.52 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 C-N-CA 124.88 1.272 . . . . 0.0 110.709 177.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 41.2 t -124.92 137.56 57.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 123.959 0.904 . . . . 0.0 109.954 171.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 27.3 mm -122.8 134.71 65.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 C-N-CA 124.422 1.089 . . . . 0.0 109.735 -177.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.5 t -101.92 137.65 39.93 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.719 0.808 . . . . 0.0 111.386 169.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.5 mp . . . . . 0 N--CA 1.469 0.48 0 C-N-CA 126.041 1.737 . . . . 0.0 109.228 -177.405 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 58.7 t . . . . . 0 N--CA 1.478 0.949 0 N-CA-C 110.643 -0.132 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -130.61 -5.32 4.15 Favored 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 -178.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.456 HD13 ' HB3' ' A' ' 90' ' ' TRP . 37.7 mt 42.89 64.79 5.95 Favored Pre-proline 0 N--CA 1.485 1.285 0 C-N-CA 126.366 1.866 . . . . 0.0 114.845 -177.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -50.91 -28.2 23.11 Favored 'Trans proline' 0 CA--C 1.553 1.451 0 C-N-CA 123.449 2.766 . . . . 0.0 119.123 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -76.47 -156.46 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.231 0 C-N-CA 122.476 2.117 . . . . 0.0 115.185 -176.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.486 ' HG3' ' HB3' ' A' ' 70' ' ' ALA . 10.2 pt-20 -52.87 -14.2 0.53 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.337 1.455 . . . . 0.0 114.452 169.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.567 ' CD2' ' HB2' ' A' ' 70' ' ' ALA . 93.5 m95 -66.24 6.23 0.44 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.657 1.983 . . . . 0.0 116.043 175.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 27.0 m -134.85 9.75 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 125.107 1.363 . . . . 0.0 113.06 169.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 44.8 p -100.51 11.57 39.18 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.756 1.223 . . . . 0.0 112.991 -178.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.47 ' NE2' ' HB1' ' A' ' 70' ' ' ALA . 25.3 mp0 -59.75 175.38 0.37 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 128.265 2.626 . . . . 0.0 114.198 177.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -68.4 -38.73 81.56 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.453 169.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 28.5 mt -137.23 138.45 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.689 1.196 . . . . 0.0 110.416 170.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -128.74 135.31 49.03 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.452 1.101 . . . . 0.0 108.57 168.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -135.35 156.12 49.46 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.552 1.141 . . . . 0.0 111.153 176.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -128.55 114.35 16.62 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.687 0.795 . . . . 0.0 112.031 174.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 33.7 m0 -103.68 91.32 3.96 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.781 1.633 . . . . 0.0 109.603 -174.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -86.07 81.33 8.51 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.903 0.881 . . . . 0.0 110.381 -173.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 51.0 mt -94.61 175.62 6.6 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.423 1.489 . . . . 0.0 111.301 -177.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 27.2 mp0 -63.96 168.97 4.65 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.073 1.349 . . . . 0.0 111.587 172.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -121.23 93.93 48.79 Favored Pre-proline 0 CA--C 1.544 0.746 0 C-N-CA 124.967 1.307 . . . . 0.0 111.09 -173.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -71.72 -17.5 29.4 Favored 'Trans proline' 0 C--N 1.358 1.042 0 C-N-CA 123.78 2.986 . . . . 0.0 117.327 -169.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -60.7 106.11 0.53 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 123.991 0.917 . . . . 0.0 111.477 -175.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 87.2 12.32 68.01 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 124.192 0.901 . . . . 0.0 114.489 -177.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -91.56 -113.1 0.09 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.155 1.382 . . . . 0.0 110.558 177.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 40.3 m -152.76 159.56 43.11 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.727 2.011 . . . . 0.0 109.569 -177.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.0 mp -68.25 -25.67 65.29 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 120.983 -1.073 . . . . 0.0 112.285 -175.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -64.28 -33.9 76.9 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 120.976 -1.078 . . . . 0.0 112.069 169.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 99.3 t -74.33 -38.08 46.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 O-C-N 121.224 -0.922 . . . . 0.0 110.577 174.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -60.25 -46.02 91.25 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.041 0.837 . . . . 0.0 111.313 169.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 61.1 mtp85 -61.25 -40.2 93.17 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.519 1.128 . . . . 0.0 112.161 176.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 53.4 m -60.89 -43.23 98.75 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.548 1.139 . . . . 0.0 111.696 175.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 50.2 t -68.59 -48.31 72.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 O-C-N 121.283 -0.886 . . . . 0.0 111.846 173.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -52.9 -46.64 68.07 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.705 1.602 . . . . 0.0 112.279 -177.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -62.24 -38.25 95.89 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 123.458 0.552 . . . . 0.0 113.26 178.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -72.14 -44.56 62.94 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.865 -0.785 . . . . 0.0 111.385 176.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 61.4 t -57.18 -44.64 83.84 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 O-C-N 120.909 -1.119 . . . . 0.0 111.406 173.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -58.02 -52.89 63.66 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.939 0.896 . . . . 0.0 111.354 175.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -64.86 -37.8 88.84 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 118.689 -0.672 . . . . 0.0 112.479 -175.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 -64.24 -44.05 93.03 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.441 1.019 . . . . 0.0 111.258 174.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 14.0 t -60.25 -49.29 84.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 CA-C-O 117.84 -1.076 . . . . 0.0 113.452 173.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -61.14 -35.16 76.31 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 120.625 1.557 . . . . 0.0 112.398 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -29.6 63.12 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 177.176 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 48.0 tp -77.43 -50.58 12.41 Favored 'General case' 0 C--O 1.228 -0.048 0 C-N-CA 124.013 0.925 . . . . 0.0 111.801 178.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.8 pt -61.73 -31.88 52.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 CA-C-N 119.113 0.869 . . . . 0.0 112.055 -174.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.72 -21.56 65.29 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 175.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -83.48 -39.54 20.38 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.702 1.201 . . . . 0.0 112.868 174.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.273 1.9 pp -107.82 1.17 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 N-CA-C 115.767 1.765 . . . . 0.0 115.767 -170.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.0 m . . . . . 0 C--O 1.255 1.394 0 C-N-CA 124.514 1.125 . . . . 0.0 112.616 170.96 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.448 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 15.9 ttt . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 119.856 -0.116 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -129.94 166.25 20.43 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 126.023 1.729 . . . . 0.0 111.542 172.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -106.36 139.38 40.93 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.795 1.238 . . . . 0.0 110.961 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.2 t -124.54 141.26 45.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 124.345 1.058 . . . . 0.0 109.996 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 11.2 tpp -133.86 133.59 41.73 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.111 0.964 . . . . 0.0 110.17 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -111.34 120.62 42.83 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.442 1.097 . . . . 0.0 110.709 -176.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.2 t -98.24 140.89 17.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 124.808 1.243 . . . . 0.0 111.836 176.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 49.0 t -133.04 178.82 6.6 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 127.616 2.366 . . . . 0.0 109.924 176.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.99 -53.14 15.87 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 119.917 -1.739 . . . . 0.0 111.84 176.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.262 0.1 OUTLIER -128.26 9.88 6.22 Favored 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 116.12 1.896 . . . . 0.0 116.12 179.822 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.393 3.4 t30 52.56 33.54 13.69 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 129.859 3.264 . . . . 0.0 118.885 -173.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.5 p -78.81 -54.07 6.45 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.642 -0.661 . . . . 0.0 112.319 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.9 t -131.53 -171.68 2.66 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.179 1.792 . . . . 0.0 110.844 -176.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 92.5 mtm-85 57.45 -83.01 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 126.946 2.098 . . . . 0.0 113.109 -170.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.7 m -62.56 -30.05 71.03 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.522 1.529 . . . . 0.0 113.445 -171.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -68.5 -34.98 76.85 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 121.36 -0.837 . . . . 0.0 111.595 173.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 47.9 mtt -70.23 -34.24 72.64 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.152 0.981 . . . . 0.0 111.398 170.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.63 -41.65 99.14 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.175 0.59 . . . . 0.0 110.809 177.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -62.43 -43.12 99.58 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 118.881 -0.581 . . . . 0.0 111.373 169.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.26 -47.82 72.51 Favored Glycine 0 N--CA 1.474 1.214 0 C-N-CA 124.326 0.965 . . . . 0.0 114.439 175.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -70.42 -45.46 65.84 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 120.998 -1.296 . . . . 0.0 111.882 175.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.31 -40.11 93.34 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -176.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.6 ptmt -67.36 -25.55 66.04 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 119.54 1.064 . . . . 0.0 113.198 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.9 m -86.46 -56.52 3.39 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.572 1.549 . . . . 0.0 112.577 175.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 76.1 mt -81.47 -30.58 33.32 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.091 1.357 . . . . 0.0 112.188 -171.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -95.89 11.16 68.09 Favored Glycine 0 CA--C 1.524 0.631 0 C-N-CA 126.195 1.855 . . . . 0.0 114.39 175.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.74 113.67 1.05 Allowed 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.601 1.7 . . . . 0.0 112.475 -178.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.89 -19.75 11.19 Favored Glycine 0 CA--C 1.539 1.573 0 C-N-CA 125.01 1.291 . . . . 0.0 114.804 -176.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 1' ' ' MET . 28.8 mtpp -76.61 -38.76 54.24 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.702 1.201 . . . . 0.0 110.486 169.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.5 pp -144.75 171.53 6.13 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 125.05 1.34 . . . . 0.0 113.292 -178.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -125.23 144.6 50.38 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.3 1.44 . . . . 0.0 108.315 168.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -139.28 149.7 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 N-CA-C 115.531 1.678 . . . . 0.0 115.531 -169.223 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.9 m -139.5 150.68 45.42 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.54 1.536 . . . . 0.0 109.985 178.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.7 t -118.72 144.89 45.94 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.194 1.398 . . . . 0.0 111.965 175.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 18.4 t -152.54 154.24 35.04 Favored 'General case' 0 C--O 1.221 -0.437 0 C-N-CA 124.621 1.168 . . . . 0.0 112.714 -169.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -122.49 165.09 15.29 Favored Glycine 0 CA--C 1.524 0.62 0 O-C-N 120.83 -1.169 . . . . 0.0 111.163 169.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.0 mt -65.15 -38.28 90.08 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 119.958 1.879 . . . . 0.0 108.49 169.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -115.26 173.39 6.53 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.991 2.116 . . . . 0.0 109.537 169.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.6 p -147.6 138.98 23.74 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 120.985 -1.072 . . . . 0.0 112.438 -178.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 88.2 p -130.18 -72.85 0.56 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 122.981 0.513 . . . . 0.0 112.024 169.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.34 156.74 21.77 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 126.415 1.886 . . . . 0.0 111.5 -178.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.7 t -62.05 136.48 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.371 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 169.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -62.92 125.76 87.34 Favored Pre-proline 0 N--CA 1.467 0.42 0 CA-C-O 118.711 -0.661 . . . . 0.0 109.496 174.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -70.63 -23.95 26.25 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 CA-C-N 120.267 1.131 . . . . 0.0 111.827 -169.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 59.3 m -71.91 -26.24 62.23 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 121.292 -0.88 . . . . 0.0 111.908 173.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.01 -37.81 86.27 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 120.25 -1.531 . . . . 0.0 112.024 174.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.06 -48.17 82.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 172.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.48 -36.41 84.1 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -178.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.79 -28.66 60.82 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 124.469 1.108 . . . . 0.0 112.676 178.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 80.8 mmm -77.0 -30.52 55.95 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.27 0.941 . . . . 0.0 111.174 169.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -66.67 -22.31 66.09 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.167 -0.958 . . . . 0.0 113.087 173.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -64.09 -27.24 68.96 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 120.135 1.334 . . . . 0.0 112.679 173.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.7 m -103.85 10.51 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 125.391 1.476 . . . . 0.0 112.561 176.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.41 22.15 78.6 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.599 1.095 . . . . 0.0 115.133 177.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 68.9 mt -107.94 145.14 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 125.506 1.522 . . . . 0.0 109.383 178.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -113.81 129.37 56.59 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.45 0.7 . . . . 0.0 112.41 178.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.0 pt -120.5 13.0 6.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.79 1.236 . . . . 0.0 112.725 169.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.0 m -62.67 -27.6 69.35 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 120.6 -1.313 . . . . 0.0 113.325 -177.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.56 -1.74 77.87 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 124.918 1.246 . . . . 0.0 114.872 174.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -87.12 162.53 17.49 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 119.457 1.628 . . . . 0.0 111.284 175.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 23.1 p -143.2 167.87 21.1 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 128.719 2.808 . . . . 0.0 105.775 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.7 m -104.41 137.01 42.91 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.587 -0.696 . . . . 0.0 112.358 177.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -143.89 152.15 54.66 Favored Pre-proline 0 N--CA 1.479 1.013 0 C-N-CA 125.057 1.343 . . . . 0.0 113.031 -175.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -95.84 151.9 1.43 Allowed 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 123.605 2.87 . . . . 0.0 113.958 -169.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 8.2 tt -58.66 -30.66 42.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 126.102 1.761 . . . . 0.0 112.583 -178.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -60.98 -21.97 64.04 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 175.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -94.81 -15.0 24.11 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 179.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -97.47 173.82 6.98 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.998 1.319 . . . . 0.0 113.753 -169.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -127.08 88.89 2.88 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.057 1.343 . . . . 0.0 113.322 -169.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.51 -33.47 31.83 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -179.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -59.38 -25.73 64.51 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.994 1.317 . . . . 0.0 114.133 -177.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -100.84 7.53 43.66 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.196 0.998 . . . . 0.0 113.455 177.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -109.29 98.65 8.04 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.292 1.037 . . . . 0.0 108.442 173.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -55.87 -32.69 63.9 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 121.732 -0.605 . . . . 0.0 111.779 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 40.3 t -126.19 138.2 55.35 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 124.553 1.141 . . . . 0.0 110.806 173.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 51.9 t -125.31 136.64 60.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 124.319 1.048 . . . . 0.0 109.769 173.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 15.3 mm -120.41 139.99 45.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 C-N-CA 124.478 1.111 . . . . 0.0 109.814 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.6 t -106.01 134.91 48.38 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 118.676 0.671 . . . . 0.0 112.135 169.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.5 mp . . . . . 0 CA--C 1.541 0.632 0 C-N-CA 125.99 1.716 . . . . 0.0 109.332 -176.766 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 38.6 t . . . . . 0 N--CA 1.478 0.938 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -137.56 -2.52 1.96 Allowed 'General case' 0 CA--C 1.552 1.048 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.5 mt 43.46 67.08 4.01 Favored Pre-proline 0 N--CA 1.483 1.186 0 C-N-CA 126.085 1.754 . . . . 0.0 114.71 -177.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -51.06 -28.8 25.91 Favored 'Trans proline' 0 CA--C 1.555 1.535 0 C-N-CA 123.63 2.887 . . . . 0.0 118.981 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -76.59 -160.63 0.12 Allowed 'Trans proline' 0 CA--C 1.549 1.266 0 C-N-CA 122.662 2.241 . . . . 0.0 114.569 -177.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -58.45 -8.07 1.09 Allowed 'General case' 0 N--CA 1.477 0.912 0 O-C-N 120.221 -1.55 . . . . 0.0 115.122 175.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -58.33 -15.95 12.43 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.678 1.591 . . . . 0.0 114.411 171.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.8 m -117.54 4.05 7.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 124.537 1.135 . . . . 0.0 114.038 174.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 43.4 p -98.11 6.03 47.98 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.663 1.185 . . . . 0.0 113.355 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -76.78 -175.99 3.67 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.04 1.336 . . . . 0.0 111.781 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -63.18 -41.05 99.14 Favored 'General case' 0 N--CA 1.48 1.033 0 O-C-N 120.736 -1.227 . . . . 0.0 112.381 -171.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 46.9 mt -140.53 140.48 33.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 125.512 1.525 . . . . 0.0 109.557 175.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -129.51 134.64 47.88 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.69 1.196 . . . . 0.0 109.703 168.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -135.2 155.85 49.98 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.657 1.183 . . . . 0.0 111.054 175.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -124.35 111.96 16.4 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 121.472 0.654 . . . . 0.0 111.792 173.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 43.4 m0 -105.9 85.76 2.27 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.859 1.664 . . . . 0.0 109.91 -173.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -84.77 118.66 24.59 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.949 -171.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 92.1 mt -139.32 172.72 12.41 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.576 1.95 . . . . 0.0 110.979 -175.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 22.9 mp0 -61.2 169.35 2.14 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.856 2.062 . . . . 0.0 112.81 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -117.23 91.1 35.95 Favored Pre-proline 0 CA--C 1.549 0.931 0 C-N-CA 125.837 1.655 . . . . 0.0 110.497 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_exo -66.78 -15.2 46.62 Favored 'Trans proline' 0 C--N 1.359 1.105 0 C-N-CA 124.386 3.391 . . . . 0.0 117.426 -169.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -57.44 110.87 0.94 Allowed 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 119.488 1.04 . . . . 0.0 112.269 -178.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 79.68 14.86 80.55 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 123.876 0.75 . . . . 0.0 113.748 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -90.48 -110.66 0.09 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.413 1.085 . . . . 0.0 110.172 177.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 74.4 m -155.16 157.52 37.54 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 127.22 2.208 . . . . 0.0 109.326 -175.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.447 HD22 ' H ' ' A' ' 109' ' ' LEU . 1.4 mm? -68.94 -27.48 65.78 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.446 -0.784 . . . . 0.0 111.854 -174.337 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -64.73 -34.22 77.82 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.76 0.824 . . . . 0.0 112.28 170.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 78.1 t -72.82 -39.52 59.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 O-C-N 121.05 -1.031 . . . . 0.0 110.282 174.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -58.6 -47.09 85.47 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 118.615 0.643 . . . . 0.0 111.41 170.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 61.2 mtp85 -63.69 -38.97 93.12 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.665 1.186 . . . . 0.0 112.073 178.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 51.8 m -61.26 -40.83 95.55 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.794 1.238 . . . . 0.0 111.775 174.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 41.9 t -68.26 -52.59 36.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 123.367 0.667 . . . . 0.0 111.567 171.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 48.7 ttp180 -52.69 -46.37 67.25 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.567 1.547 . . . . 0.0 112.633 -174.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -62.63 -37.46 94.81 Favored Glycine 0 N--CA 1.474 1.206 0 C-N-CA 123.469 0.557 . . . . 0.0 113.336 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -75.87 -43.82 43.69 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.821 -0.811 . . . . 0.0 111.092 177.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 85.8 t -56.43 -43.78 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 O-C-N 121.288 -0.882 . . . . 0.0 111.648 172.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -56.47 -56.06 25.96 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.904 0.881 . . . . 0.0 111.417 174.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.7 -37.38 87.4 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 118.351 -0.833 . . . . 0.0 111.788 -175.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -60.96 -44.43 97.33 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 119.218 0.917 . . . . 0.0 111.21 176.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 27.0 t -60.94 -49.72 83.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 CA-C-O 118.154 -0.927 . . . . 0.0 112.944 171.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -60.22 -35.59 75.78 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 120.537 1.517 . . . . 0.0 112.415 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.85 -24.96 60.94 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 177.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 48.0 tp -81.95 -50.0 9.64 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.487 1.115 . . . . 0.0 111.936 175.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 6.4 pt -65.01 -24.57 35.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-N 119.484 1.038 . . . . 0.0 113.17 -175.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.76 -19.93 61.95 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 173.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -88.63 -43.62 11.21 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.901 1.28 . . . . 0.0 113.13 176.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.281 1.7 pp -104.45 0.84 10.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 N-CA-C 116.965 2.209 . . . . 0.0 116.965 -169.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 79.1 p . . . . . 0 C--O 1.255 1.38 0 CA-C-N 120.069 1.304 . . . . 0.0 113.692 174.535 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.423 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 11.7 ttt . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 119.851 -0.119 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -130.46 165.61 22.28 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 125.697 1.599 . . . . 0.0 111.868 172.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -109.87 139.19 45.24 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.681 1.192 . . . . 0.0 111.251 -176.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.3 t -123.41 138.83 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.265 1.026 . . . . 0.0 109.974 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 7.8 tpp -129.7 135.53 48.6 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.09 0.956 . . . . 0.0 110.511 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -113.85 120.18 39.85 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.484 1.114 . . . . 0.0 112.305 -174.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -97.45 144.99 9.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 C-N-CA 126.44 1.896 . . . . 0.0 111.395 174.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 44.4 t -144.17 -169.91 3.23 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.959 2.103 . . . . 0.0 107.271 169.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -64.23 -69.44 0.28 Allowed 'General case' 0 N--CA 1.486 1.357 0 CA-C-N 121.199 1.818 . . . . 0.0 111.824 175.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.6 ptm85 -115.6 15.43 16.59 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 115.444 1.646 . . . . 0.0 115.444 -174.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 56.93 29.86 17.03 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 126.595 1.958 . . . . 0.0 113.794 -175.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.4 p -82.83 -46.2 13.34 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.27 1.428 . . . . 0.0 112.806 -175.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.4 t -140.39 177.68 7.83 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.484 1.514 . . . . 0.0 110.334 -176.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.2 mtm-85 58.47 -71.58 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 127.694 2.398 . . . . 0.0 114.319 -174.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.9 p -50.43 -39.7 48.17 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 126.21 1.804 . . . . 0.0 113.286 177.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -71.21 -37.53 72.08 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.794 0.838 . . . . 0.0 111.892 177.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 53.4 mtt -67.83 -34.76 77.35 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 120.974 -1.079 . . . . 0.0 111.73 174.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.57 -43.48 93.76 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.092 0.557 . . . . 0.0 111.536 176.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -60.65 -42.71 97.54 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.038 0.535 . . . . 0.0 110.381 169.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -47.16 -63.4 3.31 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 126.473 1.987 . . . . 0.0 114.03 171.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -65.48 -40.58 93.28 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 119.131 1.466 . . . . 0.0 112.671 -179.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.86 -39.12 87.45 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 -177.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 ptmt -61.21 -30.57 70.51 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 120.167 1.348 . . . . 0.0 113.025 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.7 m -91.75 -52.21 4.86 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.814 1.645 . . . . 0.0 112.312 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 89.1 mt -75.73 -31.11 59.48 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.406 0.683 . . . . 0.0 112.568 -175.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -99.34 11.54 61.68 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 126.399 1.952 . . . . 0.0 114.992 176.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.01 109.98 0.31 Allowed 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 119.049 1.424 . . . . 0.0 113.535 -173.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.87 -18.56 20.46 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 124.832 1.206 . . . . 0.0 115.008 175.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 1' ' ' MET . 17.2 ptmt -87.22 -26.68 23.4 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 118.11 0.955 . . . . 0.0 112.852 169.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 pp -133.91 171.53 17.8 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 123.763 0.825 . . . . 0.0 111.854 169.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.69 145.93 52.04 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.132 0.973 . . . . 0.0 109.389 168.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -140.29 150.62 21.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 -169.287 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.7 m -143.94 149.59 37.04 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.86 1.664 . . . . 0.0 108.927 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.0 p -124.93 151.98 44.71 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 120.844 -1.16 . . . . 0.0 112.332 169.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 17.1 p -155.19 -177.25 6.41 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.367 1.467 . . . . 0.0 111.263 -178.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -149.29 166.92 29.58 Favored Glycine 0 N--CA 1.466 0.696 0 O-C-N 120.771 -1.205 . . . . 0.0 112.088 169.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.04 -15.05 62.71 Favored 'General case' 0 N--CA 1.48 1.075 0 CA-C-N 118.927 1.363 . . . . 0.0 113.383 176.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -136.58 -179.73 5.86 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 127.163 2.185 . . . . 0.0 108.906 169.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.4 t -137.69 144.28 41.71 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 120.957 -1.089 . . . . 0.0 112.448 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.9 t -143.09 -104.56 0.13 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.223 1.409 . . . . 0.0 110.497 174.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.85 160.87 41.76 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.289 1.836 . . . . 0.0 111.465 173.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.4 t -63.23 139.07 21.86 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 171.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -67.5 124.87 90.24 Favored Pre-proline 0 N--CA 1.466 0.352 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 172.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.03 -25.03 32.35 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 CA-C-N 120.293 1.14 . . . . 0.0 112.363 -169.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 51.2 m -69.23 -26.92 65.04 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 121.291 -0.881 . . . . 0.0 111.994 174.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.84 -39.32 94.0 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 120.618 -1.301 . . . . 0.0 112.144 174.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mp -57.67 -48.59 83.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 172.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.15 -37.94 89.22 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -177.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 7.4 mmt -75.41 -28.38 59.4 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.116 0.966 . . . . 0.0 112.269 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 81.8 mmm -77.46 -30.11 53.06 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 119.213 0.915 . . . . 0.0 111.808 169.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -67.26 -25.16 65.94 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 120.998 -1.064 . . . . 0.0 112.745 174.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -60.64 -30.91 70.17 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 119.874 1.216 . . . . 0.0 112.827 173.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 30.4 m -99.08 8.32 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 125.211 1.404 . . . . 0.0 112.642 176.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.47 24.33 76.45 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 124.966 1.27 . . . . 0.0 114.907 177.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 75.5 mt -112.16 139.35 37.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 125.139 1.376 . . . . 0.0 110.278 -176.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -104.38 125.89 50.99 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 -171.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.8 pt -134.66 21.55 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 124.588 1.155 . . . . 0.0 112.456 169.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.3 t -78.07 -30.87 49.91 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 121.008 -1.058 . . . . 0.0 112.686 -176.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -83.54 13.98 43.81 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 125.015 1.293 . . . . 0.0 115.639 -178.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -126.96 164.09 22.25 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.631 1.715 . . . . 0.0 111.76 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 35.1 p -131.04 176.15 8.49 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 127.303 2.241 . . . . 0.0 107.485 -173.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.1 m -74.85 148.13 40.48 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 121.74 -0.6 . . . . 0.0 112.459 170.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -141.52 146.38 41.66 Favored Pre-proline 0 CA--C 1.551 0.997 0 C-N-CA 124.399 1.079 . . . . 0.0 113.073 170.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -88.39 149.01 6.46 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 123.869 3.046 . . . . 0.0 114.102 -174.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.8 tt -57.86 -35.86 53.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 127.008 2.123 . . . . 0.0 112.076 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.31 -21.99 66.6 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 -177.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.08 -13.85 43.1 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 176.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -99.29 171.45 7.97 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.148 1.379 . . . . 0.0 113.588 -170.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -124.6 85.98 2.49 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.203 1.401 . . . . 0.0 112.34 -169.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.54 -33.67 46.58 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -55.57 -27.04 46.82 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.557 1.543 . . . . 0.0 114.29 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -83.46 -31.76 26.38 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 175.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -80.3 102.93 9.83 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.729 0.812 . . . . 0.0 109.41 -171.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -49.31 -36.11 20.12 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.124 0.97 . . . . 0.0 111.762 175.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.1 t -130.23 136.1 59.38 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 C-N-CA 123.95 0.9 . . . . 0.0 110.795 177.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 56.0 t -121.19 137.19 55.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 123.929 0.891 . . . . 0.0 110.128 171.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 29.7 mm -122.8 136.38 59.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 124.604 1.161 . . . . 0.0 109.514 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.2 t -105.78 132.65 51.65 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 118.633 0.651 . . . . 0.0 110.924 169.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.0 mp . . . . . 0 N--CA 1.467 0.408 0 C-N-CA 126.206 1.802 . . . . 0.0 107.867 179.751 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 61.5 t . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -137.29 -0.26 2.24 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 115.572 1.693 . . . . 0.0 115.572 178.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 40.4 mt 44.07 65.78 5.54 Favored Pre-proline 0 CA--C 1.555 1.147 0 C-N-CA 126.346 1.858 . . . . 0.0 115.12 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -51.03 -29.11 26.64 Favored 'Trans proline' 0 CA--C 1.557 1.644 0 C-N-CA 123.418 2.745 . . . . 0.0 119.174 179.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -77.07 -158.66 0.09 OUTLIER 'Trans proline' 0 CA--C 1.55 1.296 0 C-N-CA 122.669 2.246 . . . . 0.0 115.001 -176.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -53.02 -13.28 0.43 Allowed 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 126.101 1.76 . . . . 0.0 115.356 172.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 86.2 m95 -60.08 -15.93 27.47 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.909 1.684 . . . . 0.0 114.893 173.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.6 m -118.72 3.41 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 124.459 1.104 . . . . 0.0 113.907 173.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 43.4 p -94.07 2.18 56.06 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.109 0.964 . . . . 0.0 113.36 177.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 71.7 mm-40 -74.97 175.87 7.71 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.765 1.226 . . . . 0.0 112.421 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -65.0 -36.45 84.46 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -169.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 42.9 mt -137.31 135.54 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 123.889 0.875 . . . . 0.0 110.043 169.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -126.58 134.8 50.73 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.308 1.043 . . . . 0.0 109.198 168.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -134.81 153.79 51.89 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.149 0.979 . . . . 0.0 111.394 175.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -124.78 114.85 19.8 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.981 0.912 . . . . 0.0 111.868 173.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.458 ' CE2' ' HB3' ' A' ' 122' ' ' ARG . 36.9 m0 -104.07 90.12 3.49 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 125.757 1.623 . . . . 0.0 109.688 -174.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -82.96 101.55 11.14 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 122.98 0.512 . . . . 0.0 110.237 -175.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 63.3 mt -116.83 168.99 9.73 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.503 1.521 . . . . 0.0 110.47 177.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -71.27 173.49 7.68 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 122.085 0.945 . . . . 0.0 112.1 173.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -114.49 100.67 53.43 Favored Pre-proline 0 CA--C 1.552 1.046 0 C-N-CA 126.571 1.949 . . . . 0.0 111.854 -170.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_exo -70.34 -14.22 34.04 Favored 'Trans proline' 0 C--N 1.357 0.995 0 C-N-CA 123.466 2.777 . . . . 0.0 117.38 -170.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -55.86 113.74 1.62 Allowed 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.465 1.03 . . . . 0.0 112.524 -177.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.06 15.6 79.81 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 123.975 0.797 . . . . 0.0 114.404 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -89.06 -97.26 0.1 Allowed 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 118.119 0.96 . . . . 0.0 110.877 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.7 t -160.57 164.96 31.56 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.843 1.657 . . . . 0.0 109.737 171.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 59.5 mt -58.8 -37.9 77.37 Favored 'General case' 0 C--O 1.221 -0.402 0 C-N-CA 123.86 0.864 . . . . 0.0 112.21 175.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -58.94 -35.43 73.12 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.614 -0.679 . . . . 0.0 112.549 174.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 94.0 t -75.22 -38.13 40.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 O-C-N 121.388 -0.82 . . . . 0.0 111.102 175.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -60.44 -45.88 92.07 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.883 0.765 . . . . 0.0 111.411 170.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -62.83 -39.77 95.36 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.689 1.195 . . . . 0.0 111.934 177.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 53.0 m -62.33 -39.69 93.9 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.155 0.982 . . . . 0.0 111.707 175.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 40.3 t -70.33 -50.33 47.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 O-C-N 121.667 -0.646 . . . . 0.0 111.378 172.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 57.0 ttp180 -49.58 -47.36 49.45 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 126.126 1.77 . . . . 0.0 112.157 -179.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -59.6 -46.55 93.8 Favored Glycine 0 N--CA 1.471 1.033 0 C-N-CA 123.639 0.637 . . . . 0.0 112.961 178.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -69.74 -37.76 76.6 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 121.149 -1.206 . . . . 0.0 111.929 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 49.1 t -64.98 -42.9 95.95 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 O-C-N 120.973 -1.079 . . . . 0.0 111.51 174.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -53.49 -55.37 25.92 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.185 0.994 . . . . 0.0 109.783 170.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -54.28 -52.2 62.2 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.543 0.737 . . . . 0.0 112.202 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.458 ' HB3' ' CE2' ' A' ' 99' ' ' TRP . 26.1 mmm180 -63.68 -30.81 71.86 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 119.668 -0.813 . . . . 0.0 111.572 -175.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 22.0 t -70.89 -55.22 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 169.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -68.24 -23.69 64.83 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 119.878 1.217 . . . . 0.0 113.315 -173.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -80.24 -27.45 38.71 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 171.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 42.2 tp -76.9 -48.18 19.01 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.58 1.152 . . . . 0.0 112.341 175.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 11.0 pt -61.82 -29.76 46.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 CA-C-N 119.411 1.005 . . . . 0.0 112.658 -173.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.5 -21.53 65.5 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 175.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -82.09 -37.95 25.59 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.487 1.115 . . . . 0.0 112.906 174.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 1.9 pp -109.47 -5.34 10.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 N-CA-C 116.662 2.097 . . . . 0.0 116.662 -169.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.6 m . . . . . 0 C--O 1.253 1.266 0 CA-C-N 120.106 1.321 . . . . 0.0 112.819 177.047 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.412 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 12.0 ttt . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 119.716 -0.183 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -130.5 163.82 26.17 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 125.89 1.676 . . . . 0.0 112.076 173.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -105.41 137.43 43.24 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.43 1.092 . . . . 0.0 111.115 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.6 t -121.64 139.18 49.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 124.49 1.116 . . . . 0.0 109.972 177.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.8 tpp -130.37 133.11 46.15 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 124.104 0.961 . . . . 0.0 109.807 -178.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -108.05 137.49 45.95 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.241 1.016 . . . . 0.0 111.141 -175.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.3 t -116.19 135.35 56.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 126.711 2.004 . . . . 0.0 110.141 177.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -131.88 177.34 7.61 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.564 1.546 . . . . 0.0 110.785 169.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -49.74 52.82 Favored 'General case' 0 N--CA 1.485 1.307 0 O-C-N 120.936 -1.102 . . . . 0.0 112.867 -178.095 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.283 0.0 OUTLIER -122.39 14.33 10.36 Favored 'General case' 0 N--CA 1.5 2.056 0 N-CA-C 116.048 1.87 . . . . 0.0 116.048 173.505 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 48.03 38.71 9.96 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 128.121 2.568 . . . . 0.0 115.633 -177.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.8 p -95.96 -32.54 12.55 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 114.781 1.4 . . . . 0.0 114.781 -176.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.1 t -138.28 -156.12 0.66 Allowed 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.527 1.531 . . . . 0.0 109.584 -176.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 45.17 -86.46 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 127.683 2.393 . . . . 0.0 114.138 172.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 m -51.51 -33.85 33.54 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 126.922 2.089 . . . . 0.0 113.809 174.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -70.19 -38.17 75.28 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.608 -0.683 . . . . 0.0 111.929 175.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 53.0 mtt -68.42 -32.27 72.19 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.972 0.909 . . . . 0.0 111.776 171.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.8 -40.25 96.2 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.334 0.654 . . . . 0.0 111.317 178.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -62.95 -40.94 99.2 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 119.122 -0.466 . . . . 0.0 110.892 169.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.43 -47.69 86.22 Favored Glycine 0 N--CA 1.476 1.331 0 C-N-CA 124.773 1.178 . . . . 0.0 114.532 175.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -71.59 -44.64 64.1 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 120.764 -1.433 . . . . 0.0 112.023 175.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.93 -40.08 94.5 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 118.547 -0.74 . . . . 0.0 112.895 -178.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.8 ptmm? -63.71 -27.07 68.96 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-N 120.008 1.276 . . . . 0.0 113.295 178.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.5 m -89.18 -51.0 5.81 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.597 1.559 . . . . 0.0 112.483 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 76.7 mt -85.07 -29.06 25.22 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.921 1.289 . . . . 0.0 112.141 -171.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -99.92 13.45 60.61 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 126.457 1.979 . . . . 0.0 114.255 172.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.5 110.37 0.33 Allowed 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.007 1.404 . . . . 0.0 113.482 -173.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.49 -17.43 24.75 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 124.972 1.272 . . . . 0.0 114.812 176.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 1' ' ' MET . 17.7 ptmt -88.45 -25.33 22.68 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 118.274 1.037 . . . . 0.0 112.803 169.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 pp -133.91 170.61 19.45 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 C-N-CA 123.727 0.811 . . . . 0.0 112.093 169.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -129.51 146.5 51.33 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.358 1.063 . . . . 0.0 109.54 168.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -139.99 150.34 21.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 N-CA-C 115.469 1.655 . . . . 0.0 115.469 -169.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.4 m -140.74 148.33 40.54 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.788 1.635 . . . . 0.0 110.002 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.2 t -118.43 142.1 47.89 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.716 1.206 . . . . 0.0 112.78 173.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 15.5 p -153.67 -177.27 6.26 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.351 1.46 . . . . 0.0 112.453 177.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -154.77 167.01 32.56 Favored Glycine 0 N--CA 1.467 0.75 0 O-C-N 120.114 -1.616 . . . . 0.0 112.72 170.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.519 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.7 OUTLIER -65.39 -16.97 64.16 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 118.68 1.24 . . . . 0.0 112.758 174.467 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -138.46 169.27 18.09 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.733 2.013 . . . . 0.0 109.171 169.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.0 t -131.06 148.73 52.78 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.974 1.309 . . . . 0.0 111.663 179.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.9 t -140.46 -81.29 0.26 Allowed 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.006 0.922 . . . . 0.0 111.701 173.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.64 162.05 21.24 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 127.131 2.172 . . . . 0.0 109.856 171.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.4 t -65.13 137.0 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 CA-C-N 119.995 1.27 . . . . 0.0 108.496 169.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 -68.94 124.47 90.38 Favored Pre-proline 0 N--CA 1.465 0.281 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 173.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -67.69 -24.64 40.94 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 CA-C-N 120.452 1.197 . . . . 0.0 112.164 -169.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 40.9 m -70.7 -29.17 65.39 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.622 -0.674 . . . . 0.0 112.175 173.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.96 -45.32 93.06 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 120.75 -1.219 . . . . 0.0 111.488 174.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.3 mt -59.92 -43.0 91.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 123.994 0.918 . . . . 0.0 110.967 174.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.96 -42.94 99.97 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 118.547 0.612 . . . . 0.0 111.371 177.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 4.9 mmt -69.08 -25.62 64.52 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.393 1.077 . . . . 0.0 112.749 -179.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 82.8 mmm -79.52 -36.48 38.44 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 118.902 0.774 . . . . 0.0 111.411 169.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -67.54 -27.03 66.61 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.061 -1.025 . . . . 0.0 112.532 175.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -62.95 -19.99 64.8 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.262 1.025 . . . . 0.0 113.321 171.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 30.0 m -109.82 14.93 8.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 125.288 1.435 . . . . 0.0 112.632 170.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.87 16.75 78.18 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 125.091 1.329 . . . . 0.0 115.204 175.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.1 mt -101.96 125.32 56.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 C-N-CA 124.954 1.302 . . . . 0.0 109.666 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -95.16 123.54 38.71 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 121.018 0.437 . . . . 0.0 112.143 -178.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.5 pt -126.65 15.91 3.73 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 C-N-CA 125.586 1.554 . . . . 0.0 112.232 169.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.8 m -62.15 -26.11 68.13 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 120.812 -1.18 . . . . 0.0 113.563 -170.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -82.5 2.21 85.89 Favored Glycine 0 CA--C 1.539 1.549 0 C-N-CA 125.044 1.307 . . . . 0.0 115.25 175.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -73.38 154.54 40.01 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 119.88 1.84 . . . . 0.0 111.736 177.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 25.5 p -136.59 162.31 33.47 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 127.855 2.462 . . . . 0.0 106.991 169.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 77.2 p -87.52 146.82 25.63 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.258 -0.901 . . . . 0.0 112.315 172.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -143.95 146.82 35.75 Favored Pre-proline 0 N--CA 1.479 0.988 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -86.39 147.12 8.68 Favored 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 123.723 2.948 . . . . 0.0 113.894 -175.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.6 tt -56.98 -34.0 43.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 127.022 2.129 . . . . 0.0 112.075 178.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -59.7 -25.37 64.74 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.924 1.29 . . . . 0.0 114.068 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.32 -12.4 40.65 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 178.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -99.01 171.36 8.09 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.887 1.275 . . . . 0.0 114.028 -169.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -122.27 85.48 2.42 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.179 1.392 . . . . 0.0 113.224 -169.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.62 -33.63 34.0 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -57.55 -28.11 63.25 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.243 1.417 . . . . 0.0 114.244 -178.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -86.46 -32.62 20.73 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 177.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -74.54 110.72 9.06 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 -176.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -53.39 -37.27 62.32 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 121.795 -0.566 . . . . 0.0 111.02 174.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.5 t -133.16 138.31 51.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 C-N-CA 124.334 1.054 . . . . 0.0 110.192 -175.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 45.9 t -124.73 138.3 54.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.127 0.971 . . . . 0.0 109.995 173.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 23.6 mm -129.18 125.84 63.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 124.277 1.031 . . . . 0.0 109.955 -174.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.9 t -92.09 141.74 28.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.402 0.62 . . . . 0.0 109.509 168.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.3 mp . . . . . 0 CA--C 1.534 0.363 0 C-N-CA 124.689 1.196 . . . . 0.0 109.117 172.626 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 60.7 t . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -141.29 -3.29 1.2 Allowed 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 116.057 1.873 . . . . 0.0 116.057 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 43.3 mt 44.52 59.82 13.04 Favored Pre-proline 0 CA--C 1.553 1.083 0 C-N-CA 125.995 1.718 . . . . 0.0 114.756 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -58.65 -17.79 37.16 Favored 'Trans proline' 0 CA--C 1.557 1.627 0 N-CA-C 118.784 2.571 . . . . 0.0 118.784 -177.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_exo -76.01 -159.76 0.1 OUTLIER 'Trans proline' 0 C--N 1.362 1.256 0 CA-C-N 124.044 2.48 . . . . 0.0 113.864 176.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -59.04 -7.73 1.2 Allowed 'General case' 0 N--CA 1.479 0.982 0 O-C-N 120.064 -1.647 . . . . 0.0 115.146 174.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -60.32 -15.41 25.19 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.365 1.466 . . . . 0.0 114.524 172.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 34.7 m -117.84 3.2 7.34 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 173.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 43.8 p -96.15 4.03 52.79 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.181 0.992 . . . . 0.0 113.21 178.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -75.09 -179.37 4.31 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.286 1.034 . . . . 0.0 112.029 177.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -63.34 -41.36 98.87 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 121.358 -0.839 . . . . 0.0 112.827 -169.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 44.7 mt -136.98 139.33 44.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 124.82 1.248 . . . . 0.0 109.779 171.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -127.73 135.52 50.27 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.469 1.108 . . . . 0.0 110.243 168.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -134.46 155.11 50.92 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.746 1.218 . . . . 0.0 111.693 176.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -132.79 94.29 3.36 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.51 1.124 . . . . 0.0 109.881 175.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 28.3 m95 -91.0 100.92 13.7 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.546 0.738 . . . . 0.0 109.534 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -85.15 113.28 21.42 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.281 0.632 . . . . 0.0 110.084 -174.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 66.7 mt -121.23 170.25 9.77 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.506 1.522 . . . . 0.0 112.277 -174.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 25.2 mp0 -64.65 164.55 11.78 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.08 1.752 . . . . 0.0 111.366 172.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -113.66 99.89 50.85 Favored Pre-proline 0 CA--C 1.547 0.853 0 C-N-CA 125.295 1.438 . . . . 0.0 111.474 -178.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -74.23 -15.02 23.0 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 123.59 2.86 . . . . 0.0 116.46 -173.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -59.8 107.92 0.68 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.047 0.939 . . . . 0.0 111.514 -175.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.16 13.14 74.91 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 124.071 0.843 . . . . 0.0 114.831 -177.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -91.93 -105.74 0.11 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.726 1.21 . . . . 0.0 111.054 178.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.1 t -158.69 167.8 28.55 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.802 1.641 . . . . 0.0 110.281 173.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 81.6 mt -59.04 -35.55 73.51 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.494 1.118 . . . . 0.0 112.851 178.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -59.67 -36.25 76.06 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.529 0.732 . . . . 0.0 111.958 173.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 91.4 t -78.32 -35.39 19.49 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 O-C-N 122.068 -0.395 . . . . 0.0 110.654 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -62.43 -44.32 96.69 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.782 -0.574 . . . . 0.0 110.92 169.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -60.37 -41.54 93.93 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.088 1.355 . . . . 0.0 112.001 175.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 52.6 m -60.51 -43.41 97.1 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.463 1.105 . . . . 0.0 111.575 176.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.46 -48.53 66.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 O-C-N 121.189 -0.944 . . . . 0.0 112.358 172.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 -52.32 -47.52 65.94 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 126.061 1.744 . . . . 0.0 112.15 -178.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -61.87 -37.52 94.49 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 123.745 0.688 . . . . 0.0 113.305 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -71.85 -48.63 44.69 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 117.83 0.815 . . . . 0.0 111.077 175.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 60.4 t -53.24 -44.38 52.96 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.309 0 CA-C-N 119.679 1.127 . . . . 0.0 111.224 174.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -56.94 -54.92 41.19 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.794 0.838 . . . . 0.0 111.214 174.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -65.35 -37.51 87.27 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 118.753 -0.641 . . . . 0.0 112.711 -175.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -63.93 -44.13 93.8 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.473 1.033 . . . . 0.0 110.8 176.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 12.2 t -61.52 -49.76 83.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-O 117.676 -1.154 . . . . 0.0 113.049 172.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -58.58 -36.29 73.74 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 121.05 1.75 . . . . 0.0 112.546 178.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.7 -20.56 59.81 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 178.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 54.8 tp -89.56 -47.94 7.64 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.3 1.44 . . . . 0.0 111.679 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 11.0 pt -64.46 -27.96 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 CA-C-N 119.476 1.035 . . . . 0.0 112.866 -177.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.19 -18.1 63.87 Favored 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 174.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -88.71 -40.1 13.5 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.851 1.26 . . . . 0.0 112.983 175.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.256 1.6 pp -106.27 -1.41 9.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 N-CA-C 116.813 2.153 . . . . 0.0 116.813 -169.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 66.0 p . . . . . 0 C--O 1.256 1.405 0 CA-C-N 120.042 1.292 . . . . 0.0 113.866 176.403 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.474 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 19.8 ttt . . . . . 0 N--CA 1.489 1.477 0 CA-C-O 119.386 -0.34 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -128.91 166.42 19.15 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 125.153 1.381 . . . . 0.0 112.105 173.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -105.28 137.89 42.35 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.633 1.173 . . . . 0.0 111.721 -178.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.6 t -124.95 139.95 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 124.82 1.248 . . . . 0.0 110.053 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.0 tpp -133.09 133.66 43.26 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.86 0.864 . . . . 0.0 109.86 -178.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -104.03 139.59 38.93 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.485 0.714 . . . . 0.0 111.584 -176.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.4 t -120.55 128.69 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 126.805 2.042 . . . . 0.0 110.602 174.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.6 t -127.13 165.65 19.14 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.406 1.483 . . . . 0.0 108.305 169.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -34.67 78.21 Favored 'General case' 0 N--CA 1.485 1.292 0 O-C-N 120.776 -1.202 . . . . 0.0 112.788 -172.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.274 0.2 OUTLIER -133.29 9.28 4.04 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 117.439 2.385 . . . . 0.0 117.439 173.401 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 51.64 31.5 7.92 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 127.255 2.222 . . . . 0.0 116.427 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.0 p -87.42 -35.87 18.05 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.413 1.485 . . . . 0.0 112.873 174.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.3 p -144.75 174.76 10.71 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.443 1.897 . . . . 0.0 110.941 -169.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.1 mtm-85 56.29 -76.41 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 127.065 2.146 . . . . 0.0 114.399 -173.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.7 p -45.63 -42.9 11.87 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 126.82 2.048 . . . . 0.0 114.367 176.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -70.46 -36.07 73.69 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.022 0.529 . . . . 0.0 111.135 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.4 mtp -74.26 -32.64 63.01 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.592 1.157 . . . . 0.0 111.632 176.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.29 -44.13 95.92 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.283 1.033 . . . . 0.0 111.457 171.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -61.26 -42.81 99.27 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.242 0.617 . . . . 0.0 111.077 170.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.94 -49.12 60.05 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 125.6 1.572 . . . . 0.0 114.841 172.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -70.42 -46.38 64.06 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 120.725 -1.456 . . . . 0.0 111.616 176.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.47 -40.38 96.95 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -176.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -64.12 -26.42 68.53 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 119.776 1.171 . . . . 0.0 113.113 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.2 m -89.82 -52.56 4.92 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.823 1.649 . . . . 0.0 112.062 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 74.1 mt -82.24 -31.58 30.14 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.825 1.25 . . . . 0.0 112.008 -172.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -96.42 11.51 66.92 Favored Glycine 0 CA--C 1.526 0.729 0 C-N-CA 126.131 1.824 . . . . 0.0 114.151 175.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.72 113.05 0.81 Allowed 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 119.815 1.807 . . . . 0.0 112.727 -179.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.12 -17.38 17.84 Favored Glycine 0 CA--C 1.538 1.47 0 C-N-CA 125.131 1.348 . . . . 0.0 114.953 -176.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.474 ' O ' ' HA ' ' A' ' 1' ' ' MET . 29.4 mtpp -78.8 -38.2 38.87 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.165 1.386 . . . . 0.0 110.356 169.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.4 pp -144.42 169.51 9.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 125.179 1.392 . . . . 0.0 112.89 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -123.72 142.6 50.93 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.95 1.3 . . . . 0.0 108.142 168.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -135.81 151.63 29.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 N-CA-C 115.216 1.561 . . . . 0.0 115.216 -169.411 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.6 m -140.72 147.95 39.98 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.653 1.581 . . . . 0.0 109.316 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.3 t -115.55 140.06 49.51 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.14 0.976 . . . . 0.0 112.312 173.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 14.3 p -153.12 -178.27 6.83 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.593 1.157 . . . . 0.0 112.644 175.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -153.92 166.09 31.84 Favored Glycine 0 N--CA 1.466 0.686 0 O-C-N 120.243 -1.536 . . . . 0.0 112.59 169.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.546 HD23 ' H ' ' A' ' 37' ' ' LEU 0.26 0.6 OUTLIER -66.85 -11.23 54.94 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 118.257 1.028 . . . . 0.0 113.481 176.874 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -142.52 165.85 26.27 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 127.621 2.368 . . . . 0.0 108.113 168.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.2 p -125.44 118.35 25.65 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.121 0.968 . . . . 0.0 111.953 176.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.5 t -99.71 -125.23 0.16 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.628 1.571 . . . . 0.0 109.43 175.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.0 146.12 48.73 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 127.574 2.349 . . . . 0.0 109.543 170.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -58.79 133.43 23.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 CA-C-N 119.049 0.841 . . . . 0.0 109.544 169.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -74.45 128.85 85.14 Favored Pre-proline 0 CA--C 1.534 0.365 0 CA-C-O 119.077 -0.487 . . . . 0.0 110.357 -176.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -72.33 -28.03 15.6 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 CA-C-N 120.144 1.087 . . . . 0.0 111.998 -171.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.0 m -72.9 -27.71 62.04 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.49 -0.756 . . . . 0.0 111.64 175.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.73 -48.41 79.69 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 121.0 -1.062 . . . . 0.0 111.703 173.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.6 mt -57.8 -46.84 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 123.508 0.723 . . . . 0.0 109.944 175.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.2 -37.27 79.73 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 9.0 mmt -77.56 -28.61 51.85 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.502 1.121 . . . . 0.0 111.876 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 84.0 mmm -75.73 -29.68 58.99 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.989 0.813 . . . . 0.0 111.797 169.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -68.21 -24.22 64.91 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.066 -1.021 . . . . 0.0 112.752 174.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -62.41 -28.31 69.7 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.727 1.149 . . . . 0.0 112.785 173.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.0 m -102.15 10.15 8.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 125.663 1.585 . . . . 0.0 112.54 176.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.59 22.56 78.3 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 125.084 1.326 . . . . 0.0 115.198 176.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 65.9 mt -108.85 138.23 36.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 125.201 1.401 . . . . 0.0 110.555 -176.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -107.0 125.0 50.43 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.41 1.084 . . . . 0.0 113.056 -176.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.3 pt -130.54 23.57 1.84 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.931 0 C-N-CA 125.687 1.595 . . . . 0.0 112.125 169.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.3 t -76.5 -28.66 56.52 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 120.526 -1.359 . . . . 0.0 112.731 -178.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -79.01 8.89 41.71 Favored Glycine 0 CA--C 1.538 1.469 0 C-N-CA 125.396 1.474 . . . . 0.0 115.97 -178.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -134.24 160.4 37.97 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.281 1.433 . . . . 0.0 111.137 -178.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.2 t -142.92 -172.97 3.77 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 123.545 0.738 . . . . 0.0 109.67 171.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 25.2 m -61.4 134.5 56.97 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 124.477 1.111 . . . . 0.0 113.162 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -137.47 145.35 48.97 Favored Pre-proline 0 CA--C 1.549 0.925 0 C-N-CA 124.185 0.994 . . . . 0.0 113.23 171.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -86.92 144.75 7.4 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 123.368 2.712 . . . . 0.0 113.998 -170.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 11.1 tt -54.72 -34.54 30.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 127.475 2.31 . . . . 0.0 112.019 178.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -63.82 -23.19 67.26 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.545 1.138 . . . . 0.0 113.955 -177.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.83 -13.28 39.69 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 177.43 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -98.1 171.47 8.22 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.119 1.368 . . . . 0.0 113.55 -170.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -122.86 83.9 2.19 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.256 1.422 . . . . 0.0 113.076 -169.468 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.89 -28.12 55.17 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 -177.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -58.38 -31.51 67.72 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.462 1.505 . . . . 0.0 113.832 178.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -86.02 -33.44 21.04 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -70.02 114.62 8.37 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -60.61 -32.12 71.27 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.744 -0.597 . . . . 0.0 111.084 176.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 93.6 t -135.73 140.17 44.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 125.407 1.483 . . . . 0.0 110.361 -176.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 43.0 t -128.76 136.18 60.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.311 1.044 . . . . 0.0 110.215 176.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 31.5 mm -127.95 113.46 30.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 C-N-CA 123.915 0.886 . . . . 0.0 110.033 -170.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 21.2 t -84.02 145.89 28.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.452 0.644 . . . . 0.0 109.927 169.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 mp . . . . . 0 CA--C 1.538 0.519 0 C-N-CA 125.316 1.446 . . . . 0.0 108.733 172.553 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 58.1 t . . . . . 0 N--CA 1.477 0.922 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -131.46 -0.77 3.96 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 114.887 1.44 . . . . 0.0 114.887 -177.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.443 HD13 ' HB3' ' A' ' 90' ' ' TRP . 44.8 mt 42.87 64.5 6.26 Favored Pre-proline 0 N--CA 1.481 1.118 0 C-N-CA 126.207 1.803 . . . . 0.0 114.767 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -50.71 -27.95 21.38 Favored 'Trans proline' 0 CA--C 1.556 1.609 0 C-N-CA 123.504 2.803 . . . . 0.0 119.314 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -76.51 -156.87 0.06 OUTLIER 'Trans proline' 0 CA--C 1.547 1.126 0 C-N-CA 122.72 2.28 . . . . 0.0 114.927 -177.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -55.39 -3.7 0.07 Allowed 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 126.302 1.841 . . . . 0.0 115.237 169.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.443 ' HB3' HD13 ' A' ' 86' ' ' LEU . 91.5 m95 -76.33 5.1 7.57 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.672 1.989 . . . . 0.0 115.271 174.02 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 34.6 m -134.52 11.77 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 124.94 1.296 . . . . 0.0 113.446 170.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 82.4 p -97.91 9.95 41.47 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 125.013 1.325 . . . . 0.0 112.851 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 19.6 mp0 -59.44 174.06 0.46 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 129.008 2.923 . . . . 0.0 113.811 177.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -68.42 -40.86 81.07 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.342 169.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 36.1 mt -136.29 138.01 47.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 125.12 1.368 . . . . 0.0 109.991 171.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -125.53 136.33 53.21 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.489 1.116 . . . . 0.0 109.116 168.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -130.34 158.22 40.41 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.237 1.015 . . . . 0.0 112.073 177.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -136.13 92.19 2.76 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.621 1.169 . . . . 0.0 109.719 171.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 50.5 m95 -88.04 97.51 11.01 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.611 0.72 . . . . 0.0 110.156 -178.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -80.44 123.79 28.35 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.389 0.676 . . . . 0.0 110.738 -172.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 77.0 mt -142.54 168.81 18.85 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.18 1.792 . . . . 0.0 110.4 -178.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -73.42 178.14 4.79 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 122.249 1.023 . . . . 0.0 112.677 175.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -119.57 98.14 49.99 Favored Pre-proline 0 CA--C 1.545 0.775 0 C-N-CA 124.607 1.163 . . . . 0.0 113.249 -169.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -71.18 -15.51 31.86 Favored 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 123.968 3.112 . . . . 0.0 116.904 -172.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -56.61 100.77 0.05 OUTLIER 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.797 1.639 . . . . 0.0 111.512 -177.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 86.14 14.27 67.07 Favored Glycine 0 CA--C 1.54 1.628 0 C-N-CA 124.468 1.033 . . . . 0.0 115.609 -177.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 -90.05 -103.56 0.09 Allowed 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 118.897 1.349 . . . . 0.0 111.782 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 60.7 p -154.35 163.78 39.63 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 126.282 1.833 . . . . 0.0 110.633 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 49.6 mt -63.07 -37.27 86.54 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.497 -0.752 . . . . 0.0 111.723 177.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -59.96 -39.48 85.77 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.703 -0.623 . . . . 0.0 112.115 174.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 74.9 t -70.98 -38.29 71.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 O-C-N 121.252 -0.905 . . . . 0.0 111.378 174.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -60.58 -47.38 86.45 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 119.762 1.165 . . . . 0.0 111.586 172.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -61.85 -38.82 89.67 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.631 1.173 . . . . 0.0 111.764 177.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 58.2 m -62.46 -38.84 91.35 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.186 0.994 . . . . 0.0 111.888 176.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 42.0 t -75.02 -46.2 40.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 O-C-N 121.588 -0.695 . . . . 0.0 111.577 174.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -52.07 -49.13 64.13 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 126.095 1.758 . . . . 0.0 112.171 -177.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -61.26 -35.22 90.59 Favored Glycine 0 N--CA 1.474 1.225 0 C-N-CA 123.466 0.555 . . . . 0.0 113.4 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -78.0 -46.58 20.61 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 121.934 -0.745 . . . . 0.0 111.482 177.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 66.1 t -54.43 -41.64 54.64 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 O-C-N 121.146 -0.971 . . . . 0.0 111.152 173.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 36.1 tttm -58.04 -57.12 14.22 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.483 1.113 . . . . 0.0 111.703 172.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -64.5 -35.82 82.18 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 118.898 -0.572 . . . . 0.0 112.154 -174.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -63.34 -42.24 98.92 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 119.161 0.892 . . . . 0.0 110.1 177.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 10.0 t -64.01 -49.03 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-O 117.564 -1.208 . . . . 0.0 113.449 171.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -58.61 -36.17 73.61 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 121.294 1.861 . . . . 0.0 112.824 177.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.81 -26.01 60.4 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 112.762 0.652 . . . . 0.0 112.762 178.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 53.2 tp -81.34 -49.04 11.18 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 124.894 1.278 . . . . 0.0 111.649 178.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.6 pt -64.66 -27.56 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-N 119.231 0.923 . . . . 0.0 112.488 -175.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.03 -21.83 65.0 Favored 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 174.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -85.02 -40.52 16.77 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.63 1.172 . . . . 0.0 113.169 176.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.282 1.9 pp -108.35 4.82 9.56 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 N-CA-C 116.224 1.935 . . . . 0.0 116.224 -169.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 C--O 1.253 1.238 0 C-N-CA 124.415 1.086 . . . . 0.0 111.841 169.752 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.462 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 56.6 ttm . . . . . 0 N--CA 1.488 1.473 0 CA-C-O 119.852 -0.118 . . . . 0.0 111.29 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -129.6 167.49 17.87 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 125.928 1.691 . . . . 0.0 110.874 169.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -107.82 139.1 42.92 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.978 1.311 . . . . 0.0 111.106 -174.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.9 t -123.65 139.74 49.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 124.584 1.153 . . . . 0.0 109.719 177.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.5 tpp -133.25 133.89 43.24 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 123.886 0.875 . . . . 0.0 110.32 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -107.8 130.93 54.94 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 124.164 0.986 . . . . 0.0 110.866 -175.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.4 t -110.37 128.98 66.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 126.887 2.075 . . . . 0.0 109.448 172.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 32.4 t -130.2 168.05 17.45 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.099 0.96 . . . . 0.0 110.749 170.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.65 -30.05 67.67 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -169.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.315 0.1 OUTLIER -135.33 15.77 3.45 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 115.852 1.797 . . . . 0.0 115.852 169.887 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 49.31 37.75 12.21 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 127.558 2.343 . . . . 0.0 115.466 -177.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.3 p -99.83 -36.8 9.31 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 -171.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.5 p -135.03 -74.93 0.46 Allowed 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -169.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.2 mtt85 -56.78 -48.12 78.6 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 -169.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.1 p -66.98 -32.63 73.99 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.798 0.839 . . . . 0.0 112.303 178.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -72.17 -40.23 68.1 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.262 0.625 . . . . 0.0 111.014 178.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 43.3 mtt -63.51 -38.88 92.83 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.719 0.808 . . . . 0.0 111.958 170.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.19 -44.06 89.62 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.33 0.652 . . . . 0.0 111.37 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -61.86 -41.61 98.05 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 118.814 -0.612 . . . . 0.0 111.396 169.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.99 -48.71 71.45 Favored Glycine 0 N--CA 1.471 0.98 0 C-N-CA 124.421 1.01 . . . . 0.0 113.968 176.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -69.91 -44.58 69.37 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 118.634 1.217 . . . . 0.0 111.593 175.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.4 -40.54 89.68 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -177.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -67.24 -25.06 65.9 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-N 119.61 1.096 . . . . 0.0 113.112 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.4 m -86.27 -57.89 2.84 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.692 1.597 . . . . 0.0 112.613 175.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 75.5 mt -80.94 -25.66 37.25 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.201 1.4 . . . . 0.0 112.432 -172.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -99.6 6.43 59.01 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 126.568 2.033 . . . . 0.0 114.542 177.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.47 114.16 1.16 Allowed 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 119.741 1.77 . . . . 0.0 112.543 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.0 -13.5 56.6 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 124.538 1.066 . . . . 0.0 114.615 -178.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 1' ' ' MET . 25.8 mtpt -89.19 -38.99 13.86 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.68 1.592 . . . . 0.0 110.987 169.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 pp -140.59 173.35 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 124.687 1.195 . . . . 0.0 113.616 -176.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -129.26 141.15 51.2 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.427 1.491 . . . . 0.0 108.122 168.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -138.12 151.04 24.84 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 -169.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.5 m -140.08 144.77 36.99 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.269 1.428 . . . . 0.0 110.232 177.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.0 t -111.06 136.03 50.68 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.932 1.693 . . . . 0.0 111.894 172.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 14.3 p -149.76 -179.48 7.15 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.572 1.549 . . . . 0.0 112.082 176.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -149.2 167.04 29.53 Favored Glycine 0 N--CA 1.466 0.68 0 O-C-N 119.914 -1.741 . . . . 0.0 112.358 169.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.512 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -64.45 -13.18 50.26 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 118.695 1.247 . . . . 0.0 113.392 175.51 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -153.56 159.47 42.19 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 127.807 2.443 . . . . 0.0 108.167 168.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.9 p -113.38 143.65 44.1 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.694 1.198 . . . . 0.0 112.256 -177.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 35.2 t -128.53 -101.47 0.33 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.618 1.167 . . . . 0.0 110.548 170.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.67 158.3 44.05 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 125.536 1.534 . . . . 0.0 110.892 170.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.2 t -61.42 130.17 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 CA-C-N 119.322 0.964 . . . . 0.0 108.937 170.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -66.87 124.33 88.37 Favored Pre-proline 0 CA--C 1.531 0.219 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 175.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -68.58 -25.68 34.49 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 CA-C-N 120.233 1.119 . . . . 0.0 112.092 -169.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.9 m -69.76 -29.3 66.61 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.134 -0.979 . . . . 0.0 111.853 172.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.33 -45.61 92.84 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 120.611 -1.306 . . . . 0.0 111.717 173.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.2 mt -58.87 -45.94 91.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 123.471 0.708 . . . . 0.0 110.19 174.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.25 -37.28 79.92 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 178.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 9.9 mmt -75.83 -27.31 57.82 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.496 1.119 . . . . 0.0 112.164 179.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 85.3 mmm -76.49 -30.64 57.33 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.123 0.874 . . . . 0.0 111.531 169.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -67.63 -24.53 65.47 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.085 -1.01 . . . . 0.0 112.971 174.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -61.54 -31.56 71.58 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 119.647 1.112 . . . . 0.0 112.905 173.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.8 m -97.34 9.77 6.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.174 1.389 . . . . 0.0 112.403 176.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.02 20.97 80.18 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 125.032 1.301 . . . . 0.0 114.936 177.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 68.7 mt -105.95 135.38 44.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 125.127 1.371 . . . . 0.0 110.074 -177.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -103.2 119.77 39.48 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.68 0.792 . . . . 0.0 112.536 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.6 pt -122.14 12.35 5.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 125.031 1.332 . . . . 0.0 112.583 169.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.3 t -66.66 -27.24 67.51 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 120.677 -1.265 . . . . 0.0 112.782 -176.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -75.91 0.47 62.05 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 124.784 1.183 . . . . 0.0 115.329 173.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -91.01 154.77 19.19 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 119.403 1.601 . . . . 0.0 110.848 175.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 28.2 p -146.87 152.37 38.6 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 128.806 2.842 . . . . 0.0 105.324 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.1 m -78.28 140.36 38.84 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.213 -0.93 . . . . 0.0 113.138 -170.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -138.11 145.68 48.69 Favored Pre-proline 0 N--CA 1.482 1.138 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -90.21 150.17 4.6 Favored 'Trans proline' 0 CA--C 1.541 0.838 0 C-N-CA 123.808 3.005 . . . . 0.0 114.05 -172.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.7 tt -58.11 -36.25 56.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 126.438 1.895 . . . . 0.0 112.003 -178.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -62.62 -21.86 65.97 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 114.363 1.245 . . . . 0.0 114.363 -177.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.89 -13.11 42.84 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 113.758 1.022 . . . . 0.0 113.758 176.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -99.4 172.34 7.39 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.219 1.407 . . . . 0.0 113.579 -170.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -123.12 89.7 3.16 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.098 1.359 . . . . 0.0 113.215 -169.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.11 -33.93 28.41 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -178.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -60.83 -24.31 65.77 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.109 1.364 . . . . 0.0 114.338 -177.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -100.67 7.73 43.76 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.717 0.807 . . . . 0.0 113.058 178.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -111.31 98.59 7.6 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 124.154 0.982 . . . . 0.0 108.747 174.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -54.49 -32.28 57.6 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.686 -0.634 . . . . 0.0 111.786 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 42.2 t -127.24 137.09 58.82 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 C-N-CA 124.801 1.24 . . . . 0.0 111.073 174.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.6 t -120.82 138.78 50.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 123.977 0.911 . . . . 0.0 109.848 170.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 29.1 mm -124.95 132.83 70.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 124.619 1.168 . . . . 0.0 109.263 -177.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.3 t -101.14 141.33 34.18 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.688 0.795 . . . . 0.0 109.879 169.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 mp . . . . . 0 N--CA 1.467 0.375 0 C-N-CA 125.732 1.613 . . . . 0.0 109.369 -177.926 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 59.7 t . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -132.82 -6.7 3.16 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 115.429 1.641 . . . . 0.0 115.429 -175.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.2 mt 42.92 65.75 5.05 Favored Pre-proline 0 N--CA 1.483 1.203 0 C-N-CA 126.103 1.761 . . . . 0.0 114.682 -177.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -51.04 -28.65 25.27 Favored 'Trans proline' 0 CA--C 1.554 1.482 0 C-N-CA 123.677 2.918 . . . . 0.0 119.058 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -76.67 -160.84 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 C-N-CA 122.604 2.203 . . . . 0.0 114.679 -176.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -58.97 -8.07 1.28 Allowed 'General case' 0 N--CA 1.477 0.918 0 O-C-N 120.155 -1.591 . . . . 0.0 115.115 175.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 90.6 m95 -59.24 -15.14 13.66 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.549 1.54 . . . . 0.0 114.654 171.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 32.9 m -118.3 4.22 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 124.518 1.127 . . . . 0.0 113.929 174.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 41.7 p -98.62 7.8 45.68 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.71 1.204 . . . . 0.0 113.133 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -77.12 -175.05 3.44 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 124.901 1.28 . . . . 0.0 111.174 176.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -65.24 -39.05 92.17 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 120.48 -1.388 . . . . 0.0 112.237 -171.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 49.4 mt -140.96 137.75 34.46 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 C-N-CA 125.403 1.481 . . . . 0.0 109.004 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -128.6 135.66 49.65 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.174 0.99 . . . . 0.0 109.873 168.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -134.41 154.52 51.33 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.425 1.09 . . . . 0.0 111.759 177.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -128.31 99.25 5.36 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.644 1.178 . . . . 0.0 110.794 177.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.409 ' CE2' ' HB3' ' A' ' 122' ' ' ARG . 37.9 m0 -89.47 81.21 6.59 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 125.522 1.529 . . . . 0.0 110.377 -176.526 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -72.43 115.67 11.97 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 122.971 0.508 . . . . 0.0 110.321 179.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 95.2 mt -135.67 166.58 22.91 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.176 1.79 . . . . 0.0 110.154 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -69.81 176.23 3.78 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.684 0.794 . . . . 0.0 112.197 177.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -117.64 97.88 51.18 Favored Pre-proline 0 CA--C 1.545 0.771 0 C-N-CA 124.463 1.105 . . . . 0.0 112.018 -169.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -70.59 -14.99 33.94 Favored 'Trans proline' 0 C--N 1.357 1.017 0 C-N-CA 123.785 2.99 . . . . 0.0 116.612 -171.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -55.11 106.99 0.26 Allowed 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.453 1.501 . . . . 0.0 111.846 -178.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 78.91 14.57 81.86 Favored Glycine 0 CA--C 1.539 1.57 0 N-CA-C 115.203 0.841 . . . . 0.0 115.203 -178.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -90.09 -99.93 0.1 Allowed 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 118.589 1.195 . . . . 0.0 111.049 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.7 t -157.12 166.03 34.4 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 125.707 1.603 . . . . 0.0 110.066 172.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 42.9 mt -59.62 -39.19 83.47 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 124.207 1.003 . . . . 0.0 112.37 178.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -59.04 -35.17 72.85 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.61 -0.681 . . . . 0.0 112.339 174.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 92.5 t -73.73 -38.94 52.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 O-C-N 121.413 -0.804 . . . . 0.0 111.081 175.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -60.39 -46.66 89.2 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 118.705 0.684 . . . . 0.0 111.598 171.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -60.98 -39.34 89.24 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.61 1.164 . . . . 0.0 111.815 176.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 58.8 m -64.29 -39.59 94.23 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.283 1.033 . . . . 0.0 112.118 177.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 53.2 t -72.22 -47.09 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 O-C-N 121.411 -0.805 . . . . 0.0 111.387 172.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -49.96 -49.71 49.28 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 126.473 1.909 . . . . 0.0 112.712 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -62.66 -34.59 90.05 Favored Glycine 0 N--CA 1.476 1.329 0 C-N-CA 123.716 0.674 . . . . 0.0 113.523 -179.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -78.0 -43.38 29.68 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 121.915 -0.756 . . . . 0.0 111.635 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 58.0 t -56.22 -43.0 75.22 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 O-C-N 121.014 -1.054 . . . . 0.0 111.218 170.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -57.87 -54.86 42.18 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.206 1.002 . . . . 0.0 111.654 174.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -65.41 -35.09 79.9 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -174.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.409 ' HB3' ' CE2' ' A' ' 99' ' ' TRP . 28.7 mmm180 -64.62 -43.76 92.69 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 119.338 0.972 . . . . 0.0 111.065 173.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 20.5 t -58.81 -50.0 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-N 119.497 1.044 . . . . 0.0 113.208 171.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -61.06 -34.92 75.66 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 120.376 1.444 . . . . 0.0 112.417 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.91 -26.79 61.54 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 176.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 52.9 tp -82.82 -45.19 14.61 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.551 1.141 . . . . 0.0 111.956 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 9.6 pt -64.08 -28.89 45.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 O-C-N 120.759 -1.213 . . . . 0.0 112.718 -178.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.08 -21.8 64.04 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 173.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -85.58 -45.7 11.5 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.252 1.421 . . . . 0.0 112.875 175.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.329 1.8 pp -103.12 3.6 10.66 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 N-CA-C 116.375 1.991 . . . . 0.0 116.375 -171.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 42.7 t . . . . . 0 C--O 1.257 1.49 0 CA-C-N 119.94 1.246 . . . . 0.0 111.416 169.464 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.458 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 55.9 ttm . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 111.559 0.207 . . . . 0.0 111.559 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -128.82 165.52 20.83 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 126.121 1.768 . . . . 0.0 110.499 169.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -106.93 139.72 40.88 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.898 1.279 . . . . 0.0 110.886 -176.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.7 t -123.34 140.81 45.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 124.442 1.097 . . . . 0.0 109.941 177.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.1 tpp -133.65 133.95 42.57 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 124.001 0.921 . . . . 0.0 110.174 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -106.4 134.29 49.77 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.083 0.953 . . . . 0.0 111.049 -176.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.4 t -113.43 126.29 70.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 126.695 1.998 . . . . 0.0 109.949 173.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.6 t -122.67 170.78 9.7 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.772 1.629 . . . . 0.0 109.608 170.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.61 -46.44 66.26 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 120.614 -1.304 . . . . 0.0 112.324 -174.161 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.318 0.3 OUTLIER -121.33 8.7 10.26 Favored 'General case' 0 N--CA 1.499 1.98 0 N-CA-C 116.494 2.035 . . . . 0.0 116.494 173.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 54.33 30.47 12.64 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 127.047 2.139 . . . . 0.0 115.662 178.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.3 p -94.81 -45.62 7.24 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.166 1.386 . . . . 0.0 112.781 -178.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.0 t -127.25 -174.24 3.11 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.596 1.958 . . . . 0.0 109.927 177.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 59.65 -75.88 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 126.66 1.984 . . . . 0.0 114.376 -175.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.9 p -63.06 -33.74 76.09 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 125.076 1.351 . . . . 0.0 112.84 -175.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 -69.14 -36.09 77.07 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 121.674 -0.641 . . . . 0.0 111.625 177.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 56.5 mtt -69.28 -36.64 77.27 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.528 0.731 . . . . 0.0 111.37 171.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.51 -43.06 95.26 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.397 0.679 . . . . 0.0 111.278 179.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -62.94 -41.94 99.65 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 118.783 -0.627 . . . . 0.0 111.123 169.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.05 -47.87 77.54 Favored Glycine 0 N--CA 1.473 1.124 0 C-N-CA 124.337 0.97 . . . . 0.0 114.375 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -69.82 -45.49 67.74 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.206 -1.173 . . . . 0.0 111.697 175.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.75 -41.0 92.66 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 -177.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -67.03 -25.04 66.08 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 119.429 1.013 . . . . 0.0 113.34 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.7 m -86.63 -56.95 3.18 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.304 1.441 . . . . 0.0 112.59 175.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 74.6 mt -81.66 -27.45 34.05 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.943 1.297 . . . . 0.0 112.199 -171.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -97.74 7.08 62.96 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 126.183 1.849 . . . . 0.0 114.469 176.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.64 114.65 1.32 Allowed 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 119.903 1.852 . . . . 0.0 112.343 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.08 -14.44 57.29 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.563 1.078 . . . . 0.0 114.496 -178.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.458 ' O ' ' HA ' ' A' ' 1' ' ' MET . 10.9 mtpt -89.46 -38.58 13.95 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.02 1.328 . . . . 0.0 111.245 169.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 pp -140.46 173.29 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 124.414 1.085 . . . . 0.0 113.768 -175.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.12 142.07 50.63 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.32 1.448 . . . . 0.0 108.41 168.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -139.27 151.34 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 -169.217 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.9 m -140.76 145.76 36.82 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.516 1.527 . . . . 0.0 110.26 178.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.4 t -112.41 136.37 51.97 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.939 1.696 . . . . 0.0 111.91 172.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 14.0 p -150.24 -178.36 6.47 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.527 1.531 . . . . 0.0 112.323 176.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -152.78 167.12 31.54 Favored Glycine 0 N--CA 1.467 0.733 0 O-C-N 120.188 -1.57 . . . . 0.0 113.095 169.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.476 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -63.74 -17.78 63.36 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 118.168 0.984 . . . . 0.0 112.691 172.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -139.49 163.43 32.55 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 127.118 2.167 . . . . 0.0 108.275 168.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.7 p -140.32 129.02 23.04 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.742 0.817 . . . . 0.0 111.949 -178.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 35.8 t -117.35 -89.15 0.59 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.196 0.999 . . . . 0.0 111.637 177.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.76 155.49 33.15 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.932 2.093 . . . . 0.0 109.746 174.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.6 t -60.67 132.82 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 CA-C-N 119.804 1.184 . . . . 0.0 109.048 172.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -66.69 123.91 87.09 Favored Pre-proline 0 C--O 1.233 0.215 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 175.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -68.41 -26.0 35.23 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 CA-C-N 120.361 1.165 . . . . 0.0 111.85 -169.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.0 m -70.04 -28.81 65.77 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.243 -0.91 . . . . 0.0 111.749 173.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.47 -45.72 93.04 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 120.542 -1.349 . . . . 0.0 111.672 173.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.3 mt -57.28 -47.21 84.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 123.356 0.663 . . . . 0.0 110.161 172.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.58 -35.08 75.21 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 10.4 mmt -76.52 -33.88 58.58 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.258 1.023 . . . . 0.0 111.814 178.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 87.3 mmm -68.41 -29.95 68.74 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.334 -0.854 . . . . 0.0 111.97 170.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -68.1 -19.89 64.89 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 121.17 -0.957 . . . . 0.0 113.081 173.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -62.42 -29.07 70.23 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 119.965 1.257 . . . . 0.0 112.823 173.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 31.2 m -103.13 11.24 8.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 125.278 1.431 . . . . 0.0 112.493 176.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.43 18.33 76.86 Favored Glycine 0 CA--C 1.538 1.52 0 C-N-CA 124.723 1.154 . . . . 0.0 115.004 178.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 62.6 mt -98.71 136.22 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 125.017 1.327 . . . . 0.0 109.714 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -106.82 123.49 48.23 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.445 0.698 . . . . 0.0 112.012 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 11.2 pt -121.87 14.36 5.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.06 1.344 . . . . 0.0 112.716 169.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.0 m -63.59 -27.35 69.19 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 120.761 -1.212 . . . . 0.0 113.345 -174.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -79.25 -0.59 83.64 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 124.925 1.25 . . . . 0.0 115.089 176.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -87.62 154.27 20.73 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 119.219 1.509 . . . . 0.0 110.738 176.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 24.8 p -146.84 152.89 39.46 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 129.068 2.947 . . . . 0.0 105.122 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 36.5 m -78.59 141.8 37.78 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 121.475 -0.766 . . . . 0.0 112.599 -171.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -140.31 146.64 46.56 Favored Pre-proline 0 N--CA 1.478 0.951 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -89.65 147.0 4.96 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.457 2.771 . . . . 0.0 113.472 -171.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.2 tt -55.01 -35.54 35.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 126.555 1.942 . . . . 0.0 111.757 177.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -60.56 -23.76 64.89 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.926 1.291 . . . . 0.0 114.449 -178.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.43 -13.37 35.05 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 178.154 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -97.06 170.88 8.83 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.06 1.344 . . . . 0.0 113.797 -169.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -120.96 88.2 2.89 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.085 1.354 . . . . 0.0 113.034 -169.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.49 -34.26 24.46 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -177.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -60.71 -24.57 65.76 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 -177.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -98.11 5.49 48.56 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 177.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -109.92 99.55 8.66 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.16 0.984 . . . . 0.0 108.495 175.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -54.41 -33.08 58.68 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.674 -0.641 . . . . 0.0 111.945 178.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 40.4 t -126.16 137.23 58.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 C-N-CA 124.775 1.23 . . . . 0.0 111.128 173.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 49.7 t -120.67 138.38 51.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.016 0.926 . . . . 0.0 109.48 169.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 28.5 mm -126.29 124.73 66.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 124.224 1.01 . . . . 0.0 109.248 -177.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.6 t -93.01 143.83 25.85 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 168.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.9 mp . . . . . 0 CA--C 1.533 0.327 0 C-N-CA 125.363 1.465 . . . . 0.0 109.695 175.805 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 43.2 t . . . . . 0 N--CA 1.476 0.853 0 CA-C-O 120.333 0.111 . . . . 0.0 111.258 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -131.52 -6.24 3.71 Favored 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 115.405 1.632 . . . . 0.0 115.405 -176.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 61.7 mt 42.45 65.58 4.96 Favored Pre-proline 0 N--CA 1.484 1.255 0 C-N-CA 125.993 1.717 . . . . 0.0 114.863 -176.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -50.27 -28.88 21.53 Favored 'Trans proline' 0 CA--C 1.553 1.427 0 C-N-CA 123.627 2.885 . . . . 0.0 119.202 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -76.37 -160.58 0.11 Allowed 'Trans proline' 0 CA--C 1.546 1.124 0 C-N-CA 122.637 2.225 . . . . 0.0 114.674 -177.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -59.22 -8.0 1.44 Allowed 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 115.163 1.542 . . . . 0.0 115.163 175.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -59.3 -15.49 16.24 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.844 1.658 . . . . 0.0 114.671 171.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.1 m -117.93 3.26 7.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 174.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 40.9 p -97.78 7.99 45.46 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.384 1.074 . . . . 0.0 113.307 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -76.72 -174.56 3.05 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.684 1.194 . . . . 0.0 111.397 176.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -65.48 -38.99 91.4 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 120.57 -1.331 . . . . 0.0 112.089 -171.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 44.5 mt -141.69 137.03 31.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 125.408 1.483 . . . . 0.0 109.003 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -128.75 134.47 48.43 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.251 1.02 . . . . 0.0 109.772 169.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -133.48 156.45 47.72 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.63 1.172 . . . . 0.0 111.709 177.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -129.68 93.65 3.57 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.519 1.128 . . . . 0.0 110.977 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 32.8 m0 -90.56 77.11 6.48 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.822 1.649 . . . . 0.0 110.924 -176.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -68.36 130.3 42.47 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 121.722 -0.611 . . . . 0.0 110.868 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 57.7 mt -141.46 170.73 15.17 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.109 1.764 . . . . 0.0 110.094 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -72.64 177.65 4.6 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.779 0.832 . . . . 0.0 112.307 173.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -116.07 99.3 52.51 Favored Pre-proline 0 CA--C 1.542 0.649 0 O-C-N 120.755 -1.216 . . . . 0.0 112.034 -175.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -67.28 -15.47 46.0 Favored 'Trans proline' 0 C--N 1.354 0.858 0 C-N-CA 124.003 3.135 . . . . 0.0 116.346 -176.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -54.76 107.53 0.3 Allowed 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.778 1.231 . . . . 0.0 111.965 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 79.96 15.18 79.57 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 124.167 0.889 . . . . 0.0 115.058 -178.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -93.17 -99.77 0.13 Allowed 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 118.536 1.168 . . . . 0.0 111.771 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 59.7 p -156.99 162.86 39.59 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 126.463 1.905 . . . . 0.0 110.566 178.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 49.3 mt -63.96 -36.49 84.14 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 121.582 -0.699 . . . . 0.0 111.748 177.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -59.06 -38.64 79.88 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.567 -0.708 . . . . 0.0 112.554 172.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.4 t -70.81 -39.18 75.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 O-C-N 121.271 -0.893 . . . . 0.0 111.733 173.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -59.58 -45.66 91.2 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 119.341 0.973 . . . . 0.0 111.762 171.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 80.6 mtt180 -61.79 -39.67 92.54 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.762 1.225 . . . . 0.0 112.026 176.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 69.1 m -63.12 -37.37 86.93 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.419 1.088 . . . . 0.0 111.816 177.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 38.4 t -72.94 -48.88 42.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 O-C-N 121.4 -0.812 . . . . 0.0 111.323 170.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 60.1 ttp85 -50.83 -48.67 59.77 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.956 1.702 . . . . 0.0 112.571 -178.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -63.31 -36.32 93.25 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 123.503 0.573 . . . . 0.0 113.906 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -77.16 -42.47 37.63 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 118.04 0.92 . . . . 0.0 111.789 178.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 54.2 t -56.99 -41.99 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 O-C-N 121.287 -0.883 . . . . 0.0 111.365 171.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -57.81 -56.77 17.61 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.895 0.878 . . . . 0.0 111.644 173.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -63.46 -36.52 84.01 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -174.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 15.5 mmp_? -63.45 -45.38 91.12 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 118.828 0.74 . . . . 0.0 110.767 175.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 24.1 t -60.35 -48.22 89.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 CA-C-O 117.944 -1.027 . . . . 0.0 113.295 172.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -60.78 -34.96 75.27 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 120.685 1.584 . . . . 0.0 112.161 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.26 -26.61 61.17 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 177.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 57.4 tp -79.75 -49.85 11.44 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 124.567 1.147 . . . . 0.0 112.139 176.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 8.9 pt -63.3 -27.15 42.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 O-C-N 121.196 -0.94 . . . . 0.0 112.322 -177.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.64 -17.92 63.55 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 176.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -103.17 -33.98 9.01 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 115.283 1.586 . . . . 0.0 115.283 175.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.317 2.0 pp -99.46 5.62 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 N-CA-C 115.818 1.784 . . . . 0.0 115.818 179.34 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 61.0 p . . . . . 0 C--O 1.255 1.35 0 CA-C-N 119.8 1.182 . . . . 0.0 113.617 169.899 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.466 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 51.7 ttm . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -129.22 165.83 20.58 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 126.226 1.81 . . . . 0.0 110.496 169.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -107.58 141.37 39.15 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.052 1.341 . . . . 0.0 110.682 -175.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.7 t -125.06 141.23 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 123.983 0.913 . . . . 0.0 110.092 177.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 7.3 tpp -132.87 136.04 45.96 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.094 0.958 . . . . 0.0 110.532 178.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -113.37 110.74 20.82 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.761 1.224 . . . . 0.0 111.495 -174.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.4 t -87.63 145.84 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 126.653 1.981 . . . . 0.0 111.482 171.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.9 t -144.54 -175.96 4.86 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.749 2.019 . . . . 0.0 107.677 168.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -63.45 -66.02 0.6 Allowed 'General case' 0 N--CA 1.487 1.377 0 CA-C-N 121.362 1.892 . . . . 0.0 111.256 173.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.73 2.82 16.2 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 116.121 1.897 . . . . 0.0 116.121 -170.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 53.18 32.51 13.41 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 127.298 2.239 . . . . 0.0 114.542 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.7 p -85.53 -40.54 16.21 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.736 1.214 . . . . 0.0 112.648 -177.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.1 t -137.1 -153.08 0.47 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 127.184 2.194 . . . . 0.0 109.318 178.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 48.49 -88.96 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.877 0 C-N-CA 126.896 2.078 . . . . 0.0 113.454 177.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.8 p -44.84 -38.77 4.79 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 126.788 2.035 . . . . 0.0 114.857 170.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -67.85 -38.95 83.82 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 121.642 -0.661 . . . . 0.0 112.193 175.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 40.5 mtt -65.88 -35.18 79.93 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 121.16 -0.963 . . . . 0.0 111.549 172.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.63 -45.05 88.48 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.721 -0.612 . . . . 0.0 111.635 177.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -62.76 -39.4 94.03 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.843 -0.535 . . . . 0.0 110.737 169.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.85 -45.2 80.87 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 125.765 1.65 . . . . 0.0 114.888 175.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -82.48 -38.57 23.7 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.407 1.603 . . . . 0.0 112.898 175.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.11 -33.43 75.45 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 120.922 -1.111 . . . . 0.0 112.71 -178.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -64.39 -29.61 70.67 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 119.469 1.032 . . . . 0.0 113.214 177.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.6 p -91.55 -54.83 3.73 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.218 1.407 . . . . 0.0 112.841 177.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.0 mt -74.51 -24.36 58.97 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.962 1.305 . . . . 0.0 112.539 -175.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -101.37 6.27 55.65 Favored Glycine 0 CA--C 1.53 0.969 0 C-N-CA 126.254 1.883 . . . . 0.0 114.92 176.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.99 114.02 1.58 Allowed 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 119.876 1.838 . . . . 0.0 112.552 -176.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.5 -12.59 58.53 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.454 1.026 . . . . 0.0 114.338 -178.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.466 ' O ' ' HA ' ' A' ' 1' ' ' MET . 30.1 mtpt -88.61 -42.26 12.14 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.585 1.554 . . . . 0.0 110.824 169.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.3 pp -139.97 174.0 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.906 1.282 . . . . 0.0 113.237 -174.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -129.08 140.55 51.54 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.178 1.391 . . . . 0.0 108.637 168.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.41 152.25 27.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 -169.341 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.9 m -146.33 152.23 38.78 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.833 1.653 . . . . 0.0 109.455 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 83.8 p -125.42 150.91 46.85 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 120.687 -1.258 . . . . 0.0 111.37 169.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 16.3 p -154.66 -178.42 7.17 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.797 1.239 . . . . 0.0 111.226 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -146.09 163.95 28.32 Favored Glycine 0 C--O 1.224 -0.484 0 O-C-N 120.896 -1.128 . . . . 0.0 112.707 169.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.469 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -64.77 -13.89 56.93 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 118.54 1.17 . . . . 0.0 113.125 176.113 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -141.33 173.55 11.39 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 127.173 2.189 . . . . 0.0 108.82 168.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.3 t -132.71 142.14 48.91 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 121.049 -1.032 . . . . 0.0 111.188 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.7 t -130.39 -96.13 0.37 Allowed 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.409 1.084 . . . . 0.0 111.015 171.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.47 153.96 31.12 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 126.434 1.894 . . . . 0.0 110.577 173.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.1 t -60.04 136.61 23.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-N 118.291 0.496 . . . . 0.0 110.733 169.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -77.73 130.72 72.66 Favored Pre-proline 0 CA--C 1.533 0.306 0 CA-C-O 118.89 -0.576 . . . . 0.0 109.527 178.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -70.69 -26.4 23.23 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 CA-C-N 120.384 1.173 . . . . 0.0 112.117 -169.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 58.4 m -71.93 -24.75 61.68 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.304 -0.872 . . . . 0.0 111.832 174.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.95 -48.15 82.54 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 120.857 -1.152 . . . . 0.0 111.267 172.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.0 mt -59.69 -46.9 92.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 123.601 0.761 . . . . 0.0 110.082 175.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.99 -37.46 79.71 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 12.7 mmt -75.78 -28.78 58.54 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.372 1.069 . . . . 0.0 112.19 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 84.9 mmm -76.05 -30.16 58.29 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 118.882 0.764 . . . . 0.0 111.809 169.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -68.12 -23.37 64.89 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 120.97 -1.081 . . . . 0.0 112.651 174.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -62.29 -29.32 70.35 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 119.785 1.175 . . . . 0.0 112.632 173.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.8 m -101.18 10.51 7.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 125.394 1.478 . . . . 0.0 112.442 176.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.71 22.39 77.18 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 125.092 1.33 . . . . 0.0 115.271 176.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 54.5 mt -108.91 142.3 21.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 125.348 1.459 . . . . 0.0 110.672 -175.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -109.59 122.14 46.78 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.651 1.18 . . . . 0.0 113.238 -178.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.6 pt -126.69 20.7 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.329 1.452 . . . . 0.0 112.204 169.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.2 t -72.7 -30.61 64.36 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 120.817 -1.177 . . . . 0.0 112.79 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.24 7.56 36.89 Favored Glycine 0 CA--C 1.538 1.522 0 C-N-CA 125.21 1.386 . . . . 0.0 115.564 177.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -133.93 148.6 51.21 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.083 1.753 . . . . 0.0 110.226 -179.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.0 t -142.15 -176.4 4.8 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 124.443 1.097 . . . . 0.0 109.387 177.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.8 m -56.23 137.06 52.65 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 124.191 0.997 . . . . 0.0 113.322 177.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -142.64 146.93 40.37 Favored Pre-proline 0 CA--C 1.552 1.024 0 C-N-CA 124.737 1.215 . . . . 0.0 112.743 169.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -87.55 146.65 7.19 Favored 'Trans proline' 0 CA--C 1.542 0.884 0 C-N-CA 123.614 2.876 . . . . 0.0 114.238 -172.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.7 tt -56.91 -35.63 47.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 126.714 2.006 . . . . 0.0 112.233 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -63.5 -22.05 66.67 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -177.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.24 -12.7 45.94 Favored 'General case' 0 CA--C 1.553 1.065 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 175.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -100.32 173.08 6.76 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.086 1.355 . . . . 0.0 113.468 -170.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -128.18 90.03 3.01 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.083 1.353 . . . . 0.0 112.819 -169.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.47 -32.15 57.17 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -179.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -56.85 -24.59 52.48 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.29 1.436 . . . . 0.0 114.133 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -101.23 5.75 42.68 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.565 1.146 . . . . 0.0 113.484 176.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -110.41 97.09 6.62 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.426 1.09 . . . . 0.0 108.834 174.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -53.0 -34.72 57.6 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 121.796 -0.565 . . . . 0.0 111.905 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 47.7 t -121.88 138.18 53.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 C-N-CA 124.593 1.157 . . . . 0.0 111.001 173.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 62.4 t -123.45 135.81 62.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 123.991 0.916 . . . . 0.0 110.06 170.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 22.5 mm -121.15 136.46 58.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 124.615 1.166 . . . . 0.0 108.923 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.7 t -103.0 139.81 38.08 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 123.953 0.901 . . . . 0.0 109.684 169.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.6 mp . . . . . 0 N--CA 1.468 0.445 0 C-N-CA 126.131 1.772 . . . . 0.0 109.886 178.718 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 59.4 t . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -140.22 1.87 1.84 Allowed 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 115.532 1.678 . . . . 0.0 115.532 175.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 49.2 mt 42.48 65.73 4.85 Favored Pre-proline 0 CA--C 1.556 1.212 0 C-N-CA 126.562 1.945 . . . . 0.0 115.116 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -50.35 -28.88 21.95 Favored 'Trans proline' 0 CA--C 1.554 1.521 0 C-N-CA 123.67 2.913 . . . . 0.0 119.127 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -76.58 -158.89 0.09 OUTLIER 'Trans proline' 0 CA--C 1.549 1.245 0 C-N-CA 122.647 2.232 . . . . 0.0 114.993 -176.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -52.05 -14.73 0.44 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 126.115 1.766 . . . . 0.0 115.122 172.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -59.28 -16.1 19.64 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 126.358 1.863 . . . . 0.0 115.053 174.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 32.9 m -120.66 3.56 6.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 124.602 1.161 . . . . 0.0 114.102 174.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 45.9 p -91.95 1.49 57.15 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.932 0.893 . . . . 0.0 113.331 177.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 76.5 mm-40 -76.53 176.83 7.94 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.096 1.358 . . . . 0.0 112.018 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -64.57 -37.96 89.37 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 121.479 -0.763 . . . . 0.0 112.808 -169.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 36.2 mt -137.06 134.26 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 124.259 1.024 . . . . 0.0 109.996 173.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -126.97 132.91 50.7 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.326 1.05 . . . . 0.0 109.956 168.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -135.82 155.04 50.95 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.479 1.112 . . . . 0.0 112.229 177.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -123.53 95.84 4.74 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.569 1.147 . . . . 0.0 110.676 176.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 44.1 m0 -89.41 83.24 6.38 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.74 1.616 . . . . 0.0 110.269 -177.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -70.75 115.87 10.41 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.862 -0.524 . . . . 0.0 111.177 -175.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 82.4 mt -142.09 149.54 40.01 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 126.473 1.909 . . . . 0.0 108.007 177.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -69.15 155.63 40.06 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.723 0.773 . . . . 0.0 112.076 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -85.27 114.89 58.82 Favored Pre-proline 0 CA--C 1.548 0.899 0 CA-C-O 118.696 -0.669 . . . . 0.0 110.793 178.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -71.95 -11.08 27.09 Favored 'Trans proline' 0 C--N 1.355 0.897 0 C-N-CA 122.933 2.422 . . . . 0.0 116.262 -171.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -50.77 112.15 0.66 Allowed 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.357 1.463 . . . . 0.0 112.166 178.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.98 14.59 78.67 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 124.162 0.887 . . . . 0.0 114.622 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -85.6 -95.74 0.07 Allowed 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 118.527 1.164 . . . . 0.0 110.962 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.2 m -164.87 159.6 18.51 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 127.074 2.15 . . . . 0.0 109.407 175.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 57.1 mt -62.51 -37.71 87.09 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 121.003 -1.061 . . . . 0.0 112.225 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -60.56 -29.88 69.44 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 121.298 -0.876 . . . . 0.0 112.926 173.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 82.4 t -74.94 -41.91 46.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 O-C-N 121.415 -0.803 . . . . 0.0 110.762 173.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -58.55 -45.62 88.54 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.311 0.96 . . . . 0.0 111.214 172.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 -64.41 -39.52 94.0 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.546 1.138 . . . . 0.0 112.259 177.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 40.6 m -63.3 -37.76 88.51 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.143 0.977 . . . . 0.0 111.868 175.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 55.5 t -73.3 -48.55 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 123.756 0.822 . . . . 0.0 110.91 174.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -50.01 -50.14 48.28 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 126.534 1.934 . . . . 0.0 112.563 178.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -62.6 -39.6 98.09 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 123.331 0.491 . . . . 0.0 113.318 -178.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -75.01 -40.93 60.32 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.849 -0.795 . . . . 0.0 111.833 178.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 91.1 t -57.63 -45.22 86.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 O-C-N 121.247 -0.908 . . . . 0.0 111.348 170.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -57.91 -54.65 44.55 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.133 0.973 . . . . 0.0 111.285 175.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -64.34 -37.49 87.68 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 118.541 -0.742 . . . . 0.0 112.211 -175.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 47.7 mtt180 -67.66 -37.46 82.42 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 117.87 -1.062 . . . . 0.0 111.926 175.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 19.2 t -61.31 -49.47 84.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 CA-C-N 119.916 1.235 . . . . 0.0 112.331 169.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -61.43 -36.01 79.18 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 120.425 1.466 . . . . 0.0 112.456 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -71.99 -30.18 64.98 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 177.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 50.8 tp -76.17 -51.71 11.59 Favored 'General case' 0 C--N 1.339 0.109 0 C-N-CA 123.874 0.87 . . . . 0.0 111.507 177.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 6.4 pt -61.09 -33.19 54.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-N 119.223 0.92 . . . . 0.0 111.877 -175.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.82 -21.7 66.84 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 175.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -84.64 -40.22 17.7 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.763 1.225 . . . . 0.0 113.092 174.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.0 pp -108.38 -0.77 9.83 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 N-CA-C 116.44 2.015 . . . . 0.0 116.44 -169.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 41.4 m . . . . . 0 C--O 1.256 1.4 0 C-N-CA 124.155 0.982 . . . . 0.0 112.915 175.426 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.463 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 55.3 ttm . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 111.554 0.205 . . . . 0.0 111.554 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -129.31 162.92 26.84 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 126.275 1.83 . . . . 0.0 110.331 169.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.432 ' HE2' ' O ' ' A' ' 72' ' ' ASP . 1.6 mppt? -107.0 140.4 39.87 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.402 1.081 . . . . 0.0 111.533 -175.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.2 t -120.84 141.44 41.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 124.315 1.046 . . . . 0.0 109.945 178.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.2 tpp -133.58 136.45 44.92 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 123.843 0.857 . . . . 0.0 110.092 177.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -108.47 136.92 47.28 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.538 1.135 . . . . 0.0 111.58 -175.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.3 t -118.44 133.65 64.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 126.533 1.933 . . . . 0.0 110.854 175.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 45.1 t -137.97 178.41 7.14 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 125.153 1.381 . . . . 0.0 111.643 174.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -53.08 -56.85 13.08 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 126.343 1.857 . . . . 0.0 113.698 -176.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -133.59 14.33 4.07 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 125.481 1.512 . . . . 0.0 114.52 -178.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.255 7.8 t-20 51.35 38.9 22.9 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 127.467 2.307 . . . . 0.0 114.686 -174.382 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.5 p -91.59 -43.23 9.77 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.235 1.414 . . . . 0.0 113.166 177.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.0 t -139.56 -175.71 4.29 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.922 1.689 . . . . 0.0 110.744 -175.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 57.56 -80.18 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 126.968 2.107 . . . . 0.0 112.949 -173.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.2 p -46.19 -46.17 17.27 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 127.271 2.229 . . . . 0.0 113.929 176.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -66.17 -36.7 83.79 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.61 1.164 . . . . 0.0 112.088 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 54.5 mtt -68.82 -35.55 77.11 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.81 0.844 . . . . 0.0 111.78 170.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.26 -40.56 96.23 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.552 0.741 . . . . 0.0 111.59 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -63.8 -39.76 95.02 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 119.091 -0.481 . . . . 0.0 111.267 169.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.38 -49.89 65.92 Favored Glycine 0 CA--C 1.528 0.877 0 C-N-CA 123.96 0.79 . . . . 0.0 114.071 174.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -70.78 -45.36 64.86 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 118.463 1.131 . . . . 0.0 112.127 176.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.97 -39.69 93.86 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -177.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -67.65 -25.32 65.66 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 119.494 1.043 . . . . 0.0 113.266 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.4 m -86.95 -54.24 4.45 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.448 1.499 . . . . 0.0 112.619 177.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 71.8 mt -83.9 -28.91 27.57 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.183 1.393 . . . . 0.0 112.354 -172.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -96.18 6.58 66.32 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 126.37 1.938 . . . . 0.0 114.476 176.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.58 113.44 0.89 Allowed 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 119.679 1.739 . . . . 0.0 112.365 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.72 -15.02 56.93 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.585 1.088 . . . . 0.0 114.341 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 1' ' ' MET . 9.0 mtpt -88.52 -38.19 15.14 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.984 1.313 . . . . 0.0 111.224 169.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 pp -141.4 174.1 7.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 124.313 1.045 . . . . 0.0 113.458 -174.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -132.48 144.96 50.82 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.378 1.471 . . . . 0.0 108.481 168.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -138.42 151.68 24.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 N-CA-C 114.911 1.449 . . . . 0.0 114.911 -169.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.6 m -138.96 149.25 44.53 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.788 1.635 . . . . 0.0 109.406 175.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.3 t -119.36 138.48 53.03 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.246 1.418 . . . . 0.0 111.929 174.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 13.8 p -152.15 -176.45 5.67 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.326 1.451 . . . . 0.0 112.551 177.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -151.49 172.42 30.97 Favored Glycine 0 N--CA 1.469 0.841 0 O-C-N 120.32 -1.487 . . . . 0.0 111.456 171.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.434 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -63.38 -13.5 40.2 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 119.623 1.712 . . . . 0.0 113.457 175.383 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -153.01 166.15 33.33 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 127.095 2.158 . . . . 0.0 109.866 169.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.8 p -107.67 152.71 23.95 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.087 1.355 . . . . 0.0 111.944 175.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.3 t -139.06 -82.7 0.28 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.141 1.376 . . . . 0.0 110.295 169.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.85 158.28 17.17 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 126.931 2.092 . . . . 0.0 110.068 169.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.6 t -60.42 136.7 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 CA-C-N 120.104 1.32 . . . . 0.0 108.603 169.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -67.9 124.58 89.83 Favored Pre-proline 0 N--CA 1.467 0.377 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 173.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -67.5 -26.23 40.59 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 CA-C-N 120.493 1.212 . . . . 0.0 112.117 -169.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 40.4 m -70.34 -27.96 64.76 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.692 0.797 . . . . 0.0 112.218 173.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.68 -43.46 98.81 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 120.295 -1.503 . . . . 0.0 111.842 175.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.6 mt -60.74 -43.38 95.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 123.518 0.727 . . . . 0.0 110.383 174.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.72 -36.85 84.34 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 177.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 23.3 mmt -74.91 -30.4 61.26 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.247 1.419 . . . . 0.0 112.312 178.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 79.0 mmm -75.52 -30.29 59.75 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 119.071 0.851 . . . . 0.0 111.659 169.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -69.46 -19.85 63.76 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.128 -0.983 . . . . 0.0 113.432 173.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -63.42 -30.67 71.76 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.863 1.21 . . . . 0.0 112.223 171.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 30.9 m -100.88 10.53 7.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 125.524 1.53 . . . . 0.0 112.625 177.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.44 18.57 77.06 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 124.7 1.143 . . . . 0.0 115.281 177.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 60.5 mt -99.51 117.22 44.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 124.602 1.161 . . . . 0.0 109.323 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -86.24 119.01 26.06 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 112.235 0.458 . . . . 0.0 112.235 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.3 pt -121.99 13.91 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 125.185 1.394 . . . . 0.0 112.248 169.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 87.8 p -63.38 -21.9 66.56 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 120.627 -1.296 . . . . 0.0 113.988 -174.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.9 1.53 86.24 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 125.022 1.296 . . . . 0.0 115.474 173.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -76.95 154.54 33.49 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 119.913 1.856 . . . . 0.0 112.035 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 31.8 p -133.03 161.41 34.44 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 127.726 2.411 . . . . 0.0 107.907 169.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.6 p -90.56 141.91 28.29 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.321 -0.862 . . . . 0.0 113.127 175.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -138.79 146.68 51.23 Favored Pre-proline 0 N--CA 1.48 1.047 0 C-N-CA 124.494 1.118 . . . . 0.0 113.785 -177.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -88.65 147.63 6.02 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 124.094 3.196 . . . . 0.0 113.543 -176.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 11.2 tt -58.63 -37.88 67.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 126.737 2.015 . . . . 0.0 112.088 -177.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -68.87 -11.2 60.29 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 -174.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.6 -13.86 36.25 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 171.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -101.15 173.98 6.21 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 114.306 1.224 . . . . 0.0 114.306 -169.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -116.8 86.33 2.48 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.775 2.03 . . . . 0.0 112.263 -171.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.36 -33.94 31.82 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 121.308 -0.87 . . . . 0.0 113.021 177.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -56.36 -29.12 60.98 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.861 1.664 . . . . 0.0 114.477 -178.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.432 ' O ' ' HE2' ' A' ' 3' ' ' LYS . 34.1 t70 -84.59 -28.15 26.75 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 176.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -82.93 92.55 7.34 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.033 0.933 . . . . 0.0 109.689 -173.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -47.08 -35.77 7.37 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.786 1.234 . . . . 0.0 111.8 177.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 46.4 t -126.08 136.46 60.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 C-N-CA 124.247 1.019 . . . . 0.0 111.27 173.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.2 t -120.03 138.31 51.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 123.852 0.861 . . . . 0.0 109.415 169.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 31.8 mm -124.45 127.56 73.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 124.605 1.162 . . . . 0.0 109.109 -178.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.0 t -96.64 140.97 30.46 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.194 0.521 . . . . 0.0 109.624 169.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 mp . . . . . 0 CA--C 1.534 0.334 0 C-N-CA 125.688 1.595 . . . . 0.0 108.528 178.67 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 32.0 t . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 109.362 -0.606 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -128.89 -5.83 5.05 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 -176.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 44.8 mt 44.22 65.17 6.26 Favored Pre-proline 0 CA--C 1.557 1.228 0 C-N-CA 126.025 1.73 . . . . 0.0 114.962 -177.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -51.43 -30.07 33.42 Favored 'Trans proline' 0 CA--C 1.554 1.477 0 C-N-CA 123.402 2.735 . . . . 0.0 119.043 178.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -77.49 -159.96 0.11 Allowed 'Trans proline' 0 CA--C 1.546 1.118 0 C-N-CA 122.526 2.151 . . . . 0.0 114.83 -175.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -56.55 -9.7 0.8 Allowed 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.793 1.637 . . . . 0.0 115.206 174.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -61.19 -15.39 33.58 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.652 1.581 . . . . 0.0 115.026 173.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 34.1 m -116.87 2.25 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 124.708 1.203 . . . . 0.0 113.678 174.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 40.0 p -95.41 3.53 54.24 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.471 1.109 . . . . 0.0 113.248 178.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -74.89 178.05 5.83 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.784 1.234 . . . . 0.0 112.016 177.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -65.28 -37.33 86.86 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.424 -0.798 . . . . 0.0 112.856 -169.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 26.1 mt -137.0 137.46 46.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 123.511 0.725 . . . . 0.0 110.329 170.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -128.15 131.81 48.94 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.662 1.185 . . . . 0.0 109.681 168.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -133.36 154.93 50.32 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.395 1.078 . . . . 0.0 111.78 176.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -125.15 106.25 9.76 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.776 1.23 . . . . 0.0 110.816 177.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 35.6 m0 -98.18 89.27 4.44 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.559 1.544 . . . . 0.0 110.042 -178.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -79.12 106.12 10.94 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.401 -0.812 . . . . 0.0 110.72 -177.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 52.9 mt -115.98 171.55 7.71 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.665 1.586 . . . . 0.0 111.885 -177.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 32.5 mp0 -61.26 167.28 3.25 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.323 1.849 . . . . 0.0 111.451 171.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -117.86 96.45 49.55 Favored Pre-proline 0 N--CA 1.476 0.854 0 C-N-CA 125.411 1.485 . . . . 0.0 109.966 -177.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -70.56 -14.85 33.93 Favored 'Trans proline' 0 C--N 1.355 0.902 0 C-N-CA 123.778 2.986 . . . . 0.0 118.02 -169.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -59.64 113.52 2.27 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.707 1.14 . . . . 0.0 112.095 -174.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 78.05 14.14 82.61 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 123.998 0.809 . . . . 0.0 114.335 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -89.85 -100.66 0.1 Allowed 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 118.148 0.974 . . . . 0.0 111.388 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 56.2 p -162.52 164.06 27.11 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 126.419 1.888 . . . . 0.0 110.013 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.442 HD22 ' H ' ' A' ' 109' ' ' LEU . 1.7 mm? -68.11 -28.29 67.2 Favored 'General case' 0 C--O 1.223 -0.308 0 C-N-CA 122.782 0.433 . . . . 0.0 111.465 -179.26 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -66.0 -37.42 85.9 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.567 0.747 . . . . 0.0 111.747 171.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 79.4 t -71.85 -37.58 62.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 O-C-N 121.079 -1.013 . . . . 0.0 111.472 174.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -60.77 -47.27 87.09 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.353 0.979 . . . . 0.0 111.422 169.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 58.6 mtp85 -60.55 -37.93 82.85 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.581 1.153 . . . . 0.0 112.029 176.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 51.3 m -61.82 -44.12 97.48 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.512 1.125 . . . . 0.0 111.719 174.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 46.6 t -67.75 -48.1 77.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 O-C-N 121.015 -1.053 . . . . 0.0 111.131 173.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 50.3 ttp180 -53.39 -47.37 69.57 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.336 1.455 . . . . 0.0 112.371 -178.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -62.39 -40.25 98.81 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 123.87 0.747 . . . . 0.0 113.022 179.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -69.67 -47.08 64.52 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.822 -0.81 . . . . 0.0 111.205 176.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 76.2 t -55.43 -46.09 78.48 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 CA-C-N 119.191 0.905 . . . . 0.0 111.397 173.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -56.94 -55.77 30.26 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.974 0.91 . . . . 0.0 111.111 177.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -39.29 94.02 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 118.392 -0.813 . . . . 0.0 111.481 -177.091 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -62.15 -43.53 98.63 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 119.188 0.904 . . . . 0.0 110.887 177.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 23.0 t -61.36 -49.96 82.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 CA-C-O 118.029 -0.986 . . . . 0.0 113.039 171.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -59.43 -36.39 75.8 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 120.707 1.594 . . . . 0.0 112.313 178.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -25.62 61.51 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 178.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 56.7 tp -80.66 -51.14 9.04 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.765 1.226 . . . . 0.0 112.032 175.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 9.0 pt -62.75 -27.96 43.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 CA-C-N 119.462 1.028 . . . . 0.0 112.204 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.74 -19.64 64.35 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 176.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -102.29 -32.77 9.88 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 115.34 1.607 . . . . 0.0 115.34 176.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.31 1.8 pp -101.34 5.13 10.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 N-CA-C 116.676 2.102 . . . . 0.0 116.676 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 60.3 p . . . . . 0 C--O 1.253 1.289 0 CA-C-N 119.617 1.099 . . . . 0.0 113.591 170.814 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.483 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 17.8 ttt . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 119.42 -0.324 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -129.82 167.65 17.78 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 125.198 1.399 . . . . 0.0 111.812 172.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -106.84 139.93 40.48 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.639 1.176 . . . . 0.0 111.282 -176.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.1 t -124.91 139.78 50.03 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 124.395 1.078 . . . . 0.0 109.796 178.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 5.3 tpp -132.98 136.19 45.92 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 123.88 0.872 . . . . 0.0 110.211 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -108.48 131.65 54.6 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.306 1.042 . . . . 0.0 111.211 -177.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.6 t -109.11 131.41 59.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 126.541 1.936 . . . . 0.0 109.935 172.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.6 t -128.35 166.84 17.89 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.352 1.461 . . . . 0.0 109.144 169.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -43.62 85.59 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.555 -1.341 . . . . 0.0 112.315 -173.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.274 0.2 OUTLIER -123.48 9.34 9.04 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 116.583 2.068 . . . . 0.0 116.583 174.618 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.261 8.0 t-20 49.46 32.27 4.6 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 127.877 2.471 . . . . 0.0 116.26 179.156 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.9 p -88.81 -37.37 15.45 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.044 1.337 . . . . 0.0 113.19 174.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.4 p -139.23 176.97 8.25 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.335 1.854 . . . . 0.0 111.155 -169.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.5 mtt85 55.86 -78.79 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 127.113 2.165 . . . . 0.0 113.79 -172.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 60.7 p -45.63 -45.41 13.87 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 127.415 2.286 . . . . 0.0 113.964 178.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 -65.85 -35.97 82.16 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.636 0.774 . . . . 0.0 112.098 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 6.7 mtp -75.47 -35.5 60.85 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.04 1.336 . . . . 0.0 111.11 174.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.77 -44.36 90.62 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.801 1.24 . . . . 0.0 111.561 174.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -59.76 -40.19 87.36 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 122.729 0.411 . . . . 0.0 111.349 169.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.48 -52.0 54.37 Favored Glycine 0 CA--C 1.531 1.032 0 C-N-CA 125.358 1.456 . . . . 0.0 114.735 176.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -65.09 -43.45 92.06 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 119.334 1.567 . . . . 0.0 110.325 176.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.27 -44.24 79.82 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -174.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -64.99 -24.96 67.67 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 119.556 1.071 . . . . 0.0 113.272 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.2 m -85.45 -57.29 3.13 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.574 1.55 . . . . 0.0 112.449 175.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 69.6 mt -83.15 -31.38 27.21 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.009 1.324 . . . . 0.0 112.355 -170.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -94.19 10.16 71.8 Favored Glycine 0 CA--C 1.529 0.911 0 C-N-CA 126.3 1.905 . . . . 0.0 114.304 175.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.13 112.89 0.8 Allowed 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 119.867 1.834 . . . . 0.0 112.838 -178.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.52 -18.4 14.97 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 125.181 1.372 . . . . 0.0 114.948 -176.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.483 ' O ' ' HA ' ' A' ' 1' ' ' MET . 29.5 mtpp -77.08 -38.47 52.4 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.183 1.393 . . . . 0.0 110.426 169.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.5 pp -144.5 170.21 8.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 125.103 1.361 . . . . 0.0 112.898 -178.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -124.45 143.41 50.65 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.058 1.343 . . . . 0.0 108.432 168.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.09 148.66 24.94 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 N-CA-C 115.227 1.565 . . . . 0.0 115.227 -169.529 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.5 m -139.53 150.64 45.34 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.34 1.456 . . . . 0.0 109.72 178.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.0 t -119.55 139.31 52.34 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.171 1.388 . . . . 0.0 112.014 175.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 14.8 p -153.43 -179.01 7.36 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.384 1.473 . . . . 0.0 112.657 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -154.62 167.05 32.49 Favored Glycine 0 C--O 1.223 -0.57 0 O-C-N 120.137 -1.602 . . . . 0.0 113.22 169.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.548 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -66.73 -16.59 64.35 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 118.034 0.917 . . . . 0.0 112.628 174.849 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -140.2 167.17 22.75 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.649 1.979 . . . . 0.0 109.51 169.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.9 p -115.3 153.41 31.0 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.483 1.513 . . . . 0.0 111.765 171.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.6 t -136.51 -90.37 0.27 Allowed 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.634 1.573 . . . . 0.0 109.969 174.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -158.35 151.17 22.44 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 127.893 2.477 . . . . 0.0 109.296 172.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.1 t -60.91 129.55 23.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 119.886 1.221 . . . . 0.0 108.73 169.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -70.47 125.54 92.03 Favored Pre-proline 0 CA--C 1.532 0.268 0 CA-C-O 118.961 -0.542 . . . . 0.0 110.166 -176.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -72.69 -25.12 17.64 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 CA-C-N 120.072 1.062 . . . . 0.0 112.246 -170.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 40.6 m -75.65 -28.04 58.61 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.418 -0.802 . . . . 0.0 111.651 176.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.29 -45.45 80.17 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 120.99 -1.069 . . . . 0.0 111.914 173.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.1 mt -58.85 -43.6 88.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 123.953 0.901 . . . . 0.0 110.67 176.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.21 -36.09 82.93 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.698 -0.626 . . . . 0.0 112.592 177.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 4.3 mmt -77.84 -30.42 51.01 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 125.014 1.325 . . . . 0.0 112.197 -179.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 87.1 mmm -74.44 -30.65 61.98 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.929 0.892 . . . . 0.0 111.12 169.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -70.86 -20.53 62.52 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.217 -0.927 . . . . 0.0 113.361 176.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -60.68 -31.86 71.1 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 120.254 1.388 . . . . 0.0 112.345 170.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.1 p -100.85 9.59 8.17 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 C-N-CA 126.428 1.891 . . . . 0.0 111.522 177.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.34 20.91 80.0 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 125.048 1.309 . . . . 0.0 115.155 173.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 77.5 mt -104.05 133.27 48.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 124.9 1.28 . . . . 0.0 110.265 -178.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -101.53 124.35 47.05 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.874 0.87 . . . . 0.0 111.697 178.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 32.5 pt -121.13 11.02 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 125.118 1.367 . . . . 0.0 112.947 170.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 98.6 p -69.07 -19.16 64.07 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 120.563 -1.336 . . . . 0.0 114.166 -175.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -76.62 -2.15 74.28 Favored Glycine 0 CA--C 1.54 1.633 0 C-N-CA 124.805 1.193 . . . . 0.0 114.744 171.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -97.6 159.2 15.07 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.222 1.409 . . . . 0.0 110.938 177.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.6 t -147.78 175.99 10.48 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 125.963 1.705 . . . . 0.0 108.563 170.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.7 p -88.09 130.74 34.92 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -173.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -138.05 143.5 39.8 Favored Pre-proline 0 CA--C 1.55 0.956 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 -173.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -83.86 144.22 10.88 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 123.582 2.855 . . . . 0.0 114.222 -171.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.9 tt -54.56 -33.6 27.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 127.487 2.315 . . . . 0.0 112.146 176.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -57.82 -27.3 63.04 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.429 1.492 . . . . 0.0 114.179 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.54 -13.18 35.11 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 179.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -97.07 171.16 8.65 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.899 1.28 . . . . 0.0 113.354 -170.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -124.53 86.68 2.6 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.2 1.4 . . . . 0.0 112.927 -169.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.53 -32.98 43.24 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -56.79 -25.36 55.31 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.163 1.385 . . . . 0.0 114.15 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -103.28 9.2 38.17 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.157 0.983 . . . . 0.0 113.608 177.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -110.39 97.74 7.12 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.204 1.002 . . . . 0.0 108.608 173.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -52.42 -35.25 51.53 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.469 0.707 . . . . 0.0 112.078 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 48.1 t -124.77 138.16 55.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 C-N-CA 124.719 1.208 . . . . 0.0 110.514 173.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 50.4 t -122.69 138.03 54.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 124.209 1.004 . . . . 0.0 109.893 171.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 24.3 mm -123.74 134.98 64.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 C-N-CA 124.532 1.133 . . . . 0.0 109.522 -178.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.9 t -104.16 138.96 39.89 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.494 0.718 . . . . 0.0 111.108 169.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.9 mp . . . . . 0 CA--C 1.538 0.493 0 C-N-CA 125.681 1.592 . . . . 0.0 109.481 -177.547 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 82.1 t . . . . . 0 N--CA 1.478 0.944 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -138.66 -0.24 1.96 Allowed 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 -178.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.0 mt 42.88 66.31 4.52 Favored Pre-proline 0 CA--C 1.554 1.117 0 C-N-CA 126.422 1.889 . . . . 0.0 115.081 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -50.39 -29.16 23.02 Favored 'Trans proline' 0 CA--C 1.554 1.507 0 C-N-CA 123.72 2.947 . . . . 0.0 119.168 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -76.51 -159.47 0.1 OUTLIER 'Trans proline' 0 CA--C 1.548 1.215 0 C-N-CA 122.778 2.319 . . . . 0.0 115.021 -176.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -52.91 -13.48 0.44 Allowed 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 126.22 1.808 . . . . 0.0 115.145 172.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -59.72 -16.08 24.57 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 126.208 1.803 . . . . 0.0 114.939 173.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 32.8 m -120.32 4.5 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 174.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 44.2 p -93.02 2.71 56.65 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.063 0.945 . . . . 0.0 113.258 176.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 -76.51 177.5 7.37 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.634 1.174 . . . . 0.0 111.921 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -64.69 -39.1 93.08 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 121.345 -0.847 . . . . 0.0 112.824 -169.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 26.5 mt -136.88 137.25 47.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 123.817 0.847 . . . . 0.0 110.243 172.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -126.49 134.61 50.87 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.501 1.12 . . . . 0.0 109.76 168.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -135.13 153.23 52.07 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.285 1.034 . . . . 0.0 111.493 175.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -122.36 119.17 30.28 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.565 0.746 . . . . 0.0 111.798 170.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 43.5 m0 -108.82 86.26 2.25 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.903 1.681 . . . . 0.0 109.858 -174.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -80.24 122.26 26.65 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.617 0.767 . . . . 0.0 110.673 -175.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 75.8 mt -143.42 172.63 12.51 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.66 1.584 . . . . 0.0 111.714 -175.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -56.53 168.52 0.56 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.355 1.462 . . . . 0.0 113.058 172.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -118.07 93.06 43.85 Favored Pre-proline 0 CA--C 1.542 0.658 0 C-N-CA 126.049 1.739 . . . . 0.0 110.522 -177.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -70.07 -14.54 35.24 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.464 2.776 . . . . 0.0 116.598 -169.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -58.94 99.77 0.06 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.809 1.644 . . . . 0.0 111.852 -175.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 86.21 14.92 65.58 Favored Glycine 0 CA--C 1.541 1.707 0 C-N-CA 124.408 1.004 . . . . 0.0 115.366 -176.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -88.91 -103.63 0.09 Allowed 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 118.787 1.293 . . . . 0.0 111.689 178.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 54.9 p -153.6 164.5 38.14 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 126.733 2.013 . . . . 0.0 110.189 177.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.8 mt -62.35 -37.65 86.49 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 122.0 -0.438 . . . . 0.0 112.169 177.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -65.91 -34.32 77.85 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.51 -0.744 . . . . 0.0 111.939 176.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 75.4 t -70.55 -35.8 63.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 O-C-N 120.963 -1.086 . . . . 0.0 111.431 172.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -61.34 -48.42 81.41 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.179 0.899 . . . . 0.0 111.108 170.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 45.4 mtp85 -59.57 -37.77 79.37 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.27 1.428 . . . . 0.0 112.393 177.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 53.5 m -63.69 -41.25 98.16 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.576 1.15 . . . . 0.0 112.036 176.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 75.7 t -72.46 -48.35 47.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 O-C-N 121.513 -0.742 . . . . 0.0 111.529 172.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 53.4 ttp180 -49.09 -51.34 32.25 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 126.511 1.924 . . . . 0.0 112.019 -178.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -61.43 -36.32 92.36 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 123.857 0.741 . . . . 0.0 113.859 -178.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -76.75 -47.15 22.62 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.615 -0.933 . . . . 0.0 111.432 177.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 39.0 t -57.07 -40.15 71.11 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 CA-C-N 119.322 0.964 . . . . 0.0 111.297 173.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 48.1 tttm -58.72 -55.82 30.19 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.545 1.138 . . . . 0.0 111.927 173.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -35.5 81.04 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 118.319 -0.848 . . . . 0.0 111.508 -177.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -61.11 -44.46 97.31 Favored 'General case' 0 C--N 1.34 0.185 0 CA-C-N 119.165 0.893 . . . . 0.0 110.81 175.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 39.2 t -61.29 -50.15 81.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-O 118.129 -0.939 . . . . 0.0 113.21 170.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -59.59 -34.2 72.44 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 120.836 1.653 . . . . 0.0 112.88 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.19 -26.46 60.29 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 176.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 55.5 tp -79.68 -48.76 13.15 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.405 1.082 . . . . 0.0 111.89 176.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 6.1 pt -64.03 -28.22 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 CA-C-N 119.578 1.081 . . . . 0.0 112.613 -176.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.14 -21.08 64.94 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 174.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -87.89 -44.46 11.04 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.214 1.406 . . . . 0.0 113.179 176.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.294 1.7 pp -105.75 4.05 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 N-CA-C 116.541 2.052 . . . . 0.0 116.541 -169.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--O 1.253 1.288 0 C-N-CA 124.023 0.929 . . . . 0.0 111.929 169.768 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.45 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 13.9 ttt . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 119.912 -0.089 . . . . 0.0 111.234 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -130.19 165.32 22.61 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 125.851 1.661 . . . . 0.0 111.239 170.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -105.64 140.95 37.92 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.95 1.3 . . . . 0.0 110.509 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.2 t -123.46 140.19 47.8 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 124.6 1.16 . . . . 0.0 109.751 177.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 4.2 tpp -133.35 135.58 44.83 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 123.763 0.825 . . . . 0.0 109.997 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -108.18 135.19 49.93 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 124.207 1.003 . . . . 0.0 111.504 -176.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.4 t -115.82 123.77 71.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 126.782 2.033 . . . . 0.0 109.495 173.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 48.0 t -122.15 165.25 16.42 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.57 1.148 . . . . 0.0 110.187 169.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -62.47 -40.4 96.54 Favored 'General case' 0 N--CA 1.484 1.255 0 O-C-N 120.675 -1.266 . . . . 0.0 113.308 -169.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.3 0.2 OUTLIER -127.22 12.16 7.06 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 116.135 1.902 . . . . 0.0 116.135 173.797 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 49.35 34.22 6.22 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 127.582 2.353 . . . . 0.0 116.001 -177.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.9 p -92.93 -38.75 11.52 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.776 1.23 . . . . 0.0 112.853 179.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.9 t -139.78 -177.0 4.77 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.793 1.637 . . . . 0.0 110.713 -176.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.5 mtm-85 57.31 -77.75 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 127.312 2.245 . . . . 0.0 114.077 -175.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 59.7 p -45.54 -44.95 13.12 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 126.373 1.869 . . . . 0.0 113.387 175.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -66.91 -38.33 86.03 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.391 1.476 . . . . 0.0 112.051 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 58.5 mtt -68.85 -36.22 77.88 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.276 1.03 . . . . 0.0 112.193 170.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.7 -41.06 98.18 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.447 0.699 . . . . 0.0 111.115 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -63.21 -39.67 95.28 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 122.867 0.467 . . . . 0.0 110.709 169.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.92 -45.89 85.31 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 124.935 1.255 . . . . 0.0 114.318 173.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -73.95 -46.58 43.19 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.121 1.461 . . . . 0.0 112.271 175.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.47 -34.93 79.42 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -176.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -63.34 -32.24 73.6 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 120.388 1.449 . . . . 0.0 113.118 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.0 m -90.21 -51.21 5.56 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 125.473 1.509 . . . . 0.0 112.334 179.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 68.9 mt -78.3 -23.89 46.92 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.12 0.968 . . . . 0.0 112.345 -175.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -104.72 10.29 48.9 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 126.915 2.198 . . . . 0.0 114.553 176.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.17 110.97 0.49 Allowed 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 119.78 1.79 . . . . 0.0 112.531 -177.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.99 -21.49 7.86 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.949 1.261 . . . . 0.0 114.435 -178.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 1' ' ' MET . 36.8 mtpt -73.61 -39.45 64.56 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.951 1.301 . . . . 0.0 110.928 169.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.5 pp -143.83 172.8 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 125.064 1.346 . . . . 0.0 112.808 -177.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.04 145.25 51.05 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.973 1.309 . . . . 0.0 108.922 168.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.13 149.55 24.69 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 N-CA-C 115.056 1.502 . . . . 0.0 115.056 -169.39 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.2 m -140.02 148.73 42.27 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.736 1.615 . . . . 0.0 109.924 178.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.8 t -119.32 139.35 52.08 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.254 1.422 . . . . 0.0 112.041 174.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 14.0 p -153.34 -177.5 6.37 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.635 1.574 . . . . 0.0 112.664 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -151.0 164.37 29.99 Favored Glycine 0 N--CA 1.467 0.72 0 O-C-N 120.48 -1.388 . . . . 0.0 112.13 170.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.56 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.7 OUTLIER -63.83 -15.28 58.43 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 118.725 1.263 . . . . 0.0 113.254 176.442 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -150.39 165.1 34.13 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 127.508 2.323 . . . . 0.0 108.366 168.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.7 t -121.81 150.0 42.52 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.193 0.997 . . . . 0.0 112.832 -170.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 87.8 p -137.39 -98.91 0.2 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.137 1.375 . . . . 0.0 111.772 173.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.68 152.13 26.72 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 127.892 2.477 . . . . 0.0 109.718 174.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.8 t -59.11 133.01 24.47 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 CA-C-N 119.737 1.153 . . . . 0.0 109.157 171.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -66.34 124.66 88.69 Favored Pre-proline 0 CA--C 1.531 0.243 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 174.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -67.63 -26.83 39.28 Favored 'Trans proline' 0 CA--C 1.539 0.764 0 CA-C-N 120.569 1.239 . . . . 0.0 111.884 -169.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 35.5 m -69.01 -28.81 66.93 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.458 -0.777 . . . . 0.0 112.168 173.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.46 -46.44 90.05 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 120.179 1.354 . . . . 0.0 111.462 174.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.1 mt -59.3 -45.95 92.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 123.787 0.835 . . . . 0.0 110.038 174.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.46 -35.52 77.86 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 178.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 10.7 mmt -75.62 -28.37 58.82 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.57 1.148 . . . . 0.0 112.089 178.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 81.9 mmm -74.49 -33.28 62.8 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.223 0.92 . . . . 0.0 111.372 169.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -65.63 -21.97 66.61 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 112.943 0.719 . . . . 0.0 112.943 175.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -64.02 -26.44 68.57 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 119.867 1.212 . . . . 0.0 112.609 170.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.0 t -86.94 -6.87 10.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.383 1.473 . . . . 0.0 111.338 175.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.38 16.18 77.27 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 124.382 0.992 . . . . 0.0 113.292 -169.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 54.2 mt -96.02 132.48 40.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 125.417 1.487 . . . . 0.0 109.515 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -100.11 123.04 43.88 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 -175.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.7 pt -130.25 13.89 2.24 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 C-N-CA 125.09 1.356 . . . . 0.0 113.612 169.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 52.5 p -63.82 -24.09 67.61 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 120.306 -1.496 . . . . 0.0 114.048 -172.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -78.92 0.59 77.77 Favored Glycine 0 CA--C 1.539 1.575 0 C-N-CA 125.098 1.332 . . . . 0.0 115.471 174.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -74.38 158.81 33.28 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 119.758 1.779 . . . . 0.0 111.693 176.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 26.5 p -144.75 163.23 34.65 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 128.998 2.919 . . . . 0.0 105.472 173.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.0 m -85.69 144.87 27.57 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 121.414 -0.804 . . . . 0.0 112.055 176.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -141.48 145.64 38.61 Favored Pre-proline 0 CA--C 1.552 1.023 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 177.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -86.69 149.05 8.58 Favored 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 124.026 3.151 . . . . 0.0 113.891 -175.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.1 tt -58.08 -35.45 52.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 126.563 1.945 . . . . 0.0 112.221 -178.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -63.92 -23.22 67.26 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 -175.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -85.14 -13.32 50.52 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 176.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -100.8 172.42 7.07 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.337 1.455 . . . . 0.0 113.693 -169.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -126.34 88.82 2.9 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.095 1.358 . . . . 0.0 113.169 -169.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.91 -32.24 52.8 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -57.05 -24.03 50.9 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.192 1.397 . . . . 0.0 113.941 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -107.79 12.01 27.7 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.148 0.979 . . . . 0.0 113.562 176.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -111.19 97.0 6.47 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 169.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -53.23 -34.03 55.39 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 122.909 0.483 . . . . 0.0 112.193 -177.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 44.7 t -122.54 137.73 55.07 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 C-N-CA 124.476 1.111 . . . . 0.0 110.693 171.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 45.6 t -120.84 138.56 50.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 123.988 0.915 . . . . 0.0 109.704 169.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 30.6 mm -125.1 130.36 73.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 124.583 1.153 . . . . 0.0 109.203 -177.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.7 t -99.01 144.47 28.12 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 123.686 0.795 . . . . 0.0 109.594 168.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 mp . . . . . 0 CA--C 1.535 0.383 0 C-N-CA 125.932 1.693 . . . . 0.0 108.82 -178.589 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 57.3 t . . . . . 0 N--CA 1.482 1.134 0 N-CA-C 110.725 -0.102 . . . . 0.0 110.725 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -133.01 -6.14 3.09 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 115.327 1.603 . . . . 0.0 115.327 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 45.0 mt 44.7 59.63 13.48 Favored Pre-proline 0 CA--C 1.556 1.178 0 C-N-CA 126.074 1.75 . . . . 0.0 115.242 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -58.1 -17.6 32.48 Favored 'Trans proline' 0 CA--C 1.558 1.717 0 N-CA-C 119.086 2.687 . . . . 0.0 119.086 -177.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo -76.73 -158.85 0.09 OUTLIER 'Trans proline' 0 CA--C 1.55 1.302 0 CA-C-N 123.887 2.424 . . . . 0.0 114.143 177.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -52.35 -13.3 0.33 Allowed 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 126.045 1.738 . . . . 0.0 115.366 171.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -61.96 -14.6 36.44 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.811 1.644 . . . . 0.0 114.889 175.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 34.2 m -120.75 4.88 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 174.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 51.0 p -94.69 4.42 53.85 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.167 0.987 . . . . 0.0 113.327 178.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 -78.59 -177.12 5.18 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.856 1.262 . . . . 0.0 112.339 -178.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -64.86 -40.95 95.95 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 121.033 -1.042 . . . . 0.0 112.163 -170.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 42.1 mt -138.08 140.37 40.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 124.746 1.219 . . . . 0.0 109.874 172.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -128.79 136.96 51.23 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.308 1.043 . . . . 0.0 109.768 168.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -136.11 155.83 49.61 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.838 1.255 . . . . 0.0 111.601 176.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -128.67 102.39 6.56 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.293 1.037 . . . . 0.0 110.885 175.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 37.2 m0 -89.57 89.46 7.84 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.627 1.571 . . . . 0.0 110.379 -177.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -80.41 90.9 5.64 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.79 0.836 . . . . 0.0 110.231 -176.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 60.5 mt -109.35 173.46 6.31 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.488 1.515 . . . . 0.0 111.897 -177.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 25.7 mp0 -63.56 166.48 6.71 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.718 1.607 . . . . 0.0 111.479 174.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -118.18 97.66 50.9 Favored Pre-proline 0 CA--C 1.545 0.751 0 C-N-CA 124.926 1.29 . . . . 0.0 111.147 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -72.44 -15.62 27.79 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 123.766 2.977 . . . . 0.0 116.346 -170.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -56.38 106.12 0.26 Allowed 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.121 1.368 . . . . 0.0 111.721 -177.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 82.64 13.67 77.61 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 124.31 0.957 . . . . 0.0 115.133 -177.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -90.62 -103.96 0.1 Allowed 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.56 1.144 . . . . 0.0 111.258 178.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.5 m -159.98 162.17 34.28 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 127.153 2.181 . . . . 0.0 109.839 177.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.3 mp -68.0 -29.62 68.68 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 120.872 -1.142 . . . . 0.0 112.142 -173.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.9 -29.94 70.54 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 120.711 -1.243 . . . . 0.0 112.951 170.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 99.3 t -77.47 -38.25 26.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.815 0.846 . . . . 0.0 110.883 174.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -60.03 -44.99 94.25 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.199 0.909 . . . . 0.0 111.343 169.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 74.1 mtt180 -63.38 -39.33 94.23 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.422 1.089 . . . . 0.0 111.879 177.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 47.8 m -61.4 -42.84 99.38 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.049 0.94 . . . . 0.0 111.711 174.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 55.7 t -69.04 -47.65 74.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 O-C-N 121.131 -0.981 . . . . 0.0 112.016 173.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 -51.53 -48.24 63.09 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.789 1.636 . . . . 0.0 112.141 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -61.25 -38.48 95.73 Favored Glycine 0 CA--C 1.533 1.209 0 C-N-CA 123.643 0.64 . . . . 0.0 113.224 178.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -72.83 -45.62 57.42 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 117.976 0.888 . . . . 0.0 111.701 177.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 58.8 t -56.57 -44.65 81.34 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 O-C-N 120.935 -1.103 . . . . 0.0 111.305 173.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 39.3 tttm -57.63 -53.65 55.77 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.189 0.996 . . . . 0.0 111.31 174.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -65.21 -36.83 85.39 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 118.695 -0.669 . . . . 0.0 112.25 -175.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 28.5 mmm180 -64.46 -43.3 94.65 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.461 1.028 . . . . 0.0 111.043 174.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 19.5 t -59.73 -50.98 78.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 CA-C-N 119.661 1.119 . . . . 0.0 113.211 171.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -59.51 -35.77 74.8 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 120.624 1.556 . . . . 0.0 112.738 178.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.72 -29.26 62.15 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 177.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 47.8 tp -75.73 -51.21 13.2 Favored 'General case' 0 C--O 1.227 -0.104 0 C-N-CA 123.905 0.882 . . . . 0.0 111.473 177.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.7 pt -61.46 -33.73 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-N 119.536 1.062 . . . . 0.0 111.894 -174.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.87 -21.0 66.72 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 175.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -85.68 -38.33 18.45 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.232 1.413 . . . . 0.0 113.372 175.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.0 pp -111.48 -0.93 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 N-CA-C 116.339 1.977 . . . . 0.0 116.339 -169.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 57.2 m . . . . . 0 C--O 1.254 1.29 0 C-N-CA 124.136 0.975 . . . . 0.0 112.584 174.279 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.46 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 15.4 ttt . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 119.878 -0.106 . . . . 0.0 111.225 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 53.6 mttp -128.74 166.69 18.5 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 126.002 1.721 . . . . 0.0 111.051 169.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.442 ' HE2' ' O ' ' A' ' 72' ' ' ASP . 1.6 mppt? -109.59 140.57 43.24 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.45 1.1 . . . . 0.0 111.435 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.3 t -122.75 141.43 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 124.166 0.986 . . . . 0.0 109.991 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 8.6 tpp -131.42 135.45 47.17 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.905 0.882 . . . . 0.0 110.518 177.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -111.64 115.48 29.19 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 125.008 1.323 . . . . 0.0 111.492 -177.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.509 HG21 HD12 ' A' ' 65' ' ' ILE . 2.5 t -95.3 130.88 43.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 126.273 1.829 . . . . 0.0 110.908 172.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.7 t -127.93 175.17 8.57 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.166 1.386 . . . . 0.0 109.14 169.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp -64.03 -54.39 34.94 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 120.716 -1.24 . . . . 0.0 111.868 -175.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.319 0.3 OUTLIER -116.83 7.66 13.4 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 116.85 2.167 . . . . 0.0 116.85 176.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 52.01 36.06 17.69 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 127.079 2.152 . . . . 0.0 114.279 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.6 p -95.14 -43.75 7.96 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.325 1.45 . . . . 0.0 112.28 178.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.5 t -132.48 -176.11 3.98 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.395 1.878 . . . . 0.0 110.51 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.0 mtt180 56.71 -80.01 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 127.103 2.161 . . . . 0.0 113.251 -171.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.9 p -51.65 -40.26 59.67 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 127.238 2.215 . . . . 0.0 114.175 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -69.27 -35.52 76.15 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.438 0.695 . . . . 0.0 111.78 178.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 48.1 mtt -69.59 -38.02 77.17 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.94 0.896 . . . . 0.0 111.615 171.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.45 -40.95 96.36 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.305 0.642 . . . . 0.0 111.692 177.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 62.8 tt0 -61.8 -41.91 98.34 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.843 0.857 . . . . 0.0 111.729 170.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.92 -46.94 93.24 Favored Glycine 0 CA--C 1.531 1.051 0 C-N-CA 124.036 0.827 . . . . 0.0 114.517 174.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -69.39 -47.69 63.43 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.083 1.441 . . . . 0.0 111.68 176.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.26 -37.48 85.59 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 118.4 -0.809 . . . . 0.0 113.041 -176.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -66.15 -28.39 68.75 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 120.267 1.394 . . . . 0.0 112.922 177.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.9 m -86.3 -52.41 5.64 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.172 1.389 . . . . 0.0 112.376 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 69.2 mt -83.94 -24.66 30.59 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.303 1.441 . . . . 0.0 112.259 -173.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -100.34 9.66 59.35 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 126.707 2.098 . . . . 0.0 114.558 174.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.99 112.17 0.63 Allowed 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 119.668 1.734 . . . . 0.0 112.736 -179.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.3 -21.56 8.36 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 125.116 1.341 . . . . 0.0 114.548 -178.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.46 ' O ' ' HA ' ' A' ' 1' ' ' MET . 31.2 mtpt -75.03 -39.18 61.2 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.983 1.313 . . . . 0.0 111.126 169.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.4 pp -144.44 172.62 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 125.316 1.447 . . . . 0.0 112.72 -176.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.06 144.59 51.11 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.901 1.281 . . . . 0.0 108.715 168.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.32 152.72 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 N-CA-C 115.094 1.516 . . . . 0.0 115.094 -169.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.1 m -146.44 153.15 40.12 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.154 1.781 . . . . 0.0 108.907 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 89.8 p -126.1 149.4 48.95 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.075 -1.016 . . . . 0.0 111.636 169.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 14.5 p -152.34 -174.54 4.93 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.802 1.241 . . . . 0.0 110.527 176.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -149.36 166.81 29.61 Favored Glycine 0 C--O 1.225 -0.453 0 O-C-N 120.334 -1.479 . . . . 0.0 113.249 169.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.567 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -65.79 -11.95 50.23 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 121.741 -0.858 . . . . 0.0 112.54 170.11 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -140.08 164.63 29.52 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 127.799 2.439 . . . . 0.0 108.179 169.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 62.7 p -132.61 140.84 48.4 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.214 1.006 . . . . 0.0 111.481 176.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 25.0 t -133.32 -96.33 0.3 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.562 0.745 . . . . 0.0 111.587 174.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.85 155.95 40.95 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.414 1.486 . . . . 0.0 110.597 171.217 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.4 t -59.1 132.51 24.16 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 CA-C-N 119.865 1.212 . . . . 0.0 108.685 170.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 53.4 t-80 -65.23 124.99 88.45 Favored Pre-proline 0 N--CA 1.464 0.229 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 177.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -70.96 -20.45 29.16 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 CA-C-N 120.329 1.153 . . . . 0.0 112.172 -169.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.4 m -72.24 -26.45 62.01 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 121.12 -0.987 . . . . 0.0 111.889 171.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.39 -38.35 89.3 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 120.567 -1.333 . . . . 0.0 111.985 174.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -56.44 -47.42 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 172.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.16 -38.44 90.56 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 121.176 0.512 . . . . 0.0 112.377 -178.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 12.1 mmt -72.74 -28.1 62.43 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 124.588 1.155 . . . . 0.0 112.719 178.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 84.3 mmm -77.97 -31.35 50.74 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 119.27 0.941 . . . . 0.0 111.265 169.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -67.53 -24.74 65.59 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 120.981 -1.074 . . . . 0.0 112.869 174.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -59.18 -31.33 68.91 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.838 1.199 . . . . 0.0 112.628 172.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.1 m -101.98 10.56 8.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.616 1.566 . . . . 0.0 112.693 177.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.51 23.04 78.52 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 124.795 1.188 . . . . 0.0 115.12 176.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 64.4 mt -110.08 141.33 25.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 125.672 1.589 . . . . 0.0 109.75 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -104.13 136.41 43.81 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.446 1.098 . . . . 0.0 112.317 178.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.7 pt -130.57 11.29 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 124.171 0.988 . . . . 0.0 111.664 169.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.7 m -66.08 -26.77 67.64 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.348 1.459 . . . . 0.0 113.412 -171.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.44 -0.71 89.5 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 125.009 1.29 . . . . 0.0 114.715 175.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -89.22 161.13 16.6 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 119.024 1.412 . . . . 0.0 110.743 176.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 25.7 p -145.76 163.64 34.35 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 128.58 2.752 . . . . 0.0 105.489 -179.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.9 m -83.26 138.37 33.61 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 121.471 -0.768 . . . . 0.0 111.997 178.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -136.43 148.24 63.21 Favored Pre-proline 0 N--CA 1.478 0.954 0 C-N-CA 124.095 0.958 . . . . 0.0 113.559 178.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -88.42 143.62 5.5 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 123.316 2.677 . . . . 0.0 113.207 -176.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.509 HD12 HG21 ' A' ' 7' ' ' VAL . 8.3 tt -57.17 -34.8 46.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 126.021 1.728 . . . . 0.0 111.993 176.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -58.99 -23.7 62.07 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.953 1.301 . . . . 0.0 114.404 -177.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.36 -15.18 33.92 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 178.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -99.37 174.59 6.21 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.47 1.108 . . . . 0.0 113.935 -169.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.9 100.75 8.89 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.309 1.844 . . . . 0.0 112.023 -175.131 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.73 -35.77 61.56 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.265 -0.897 . . . . 0.0 112.343 174.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -60.92 -31.15 70.68 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.599 1.56 . . . . 0.0 114.457 -172.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.442 ' O ' ' HE2' ' A' ' 3' ' ' LYS . 32.4 t70 -85.2 -29.53 24.62 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 179.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -79.26 92.28 5.1 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 121.439 -0.788 . . . . 0.0 109.396 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -48.0 -34.88 9.99 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.961 1.304 . . . . 0.0 112.144 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 52.7 t -124.93 137.85 56.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 C-N-CA 124.449 1.1 . . . . 0.0 110.692 172.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.1 t -122.87 136.1 60.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 123.8 0.84 . . . . 0.0 110.101 171.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 24.7 mm -121.5 128.52 75.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 124.655 1.182 . . . . 0.0 108.56 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.9 t -98.68 144.37 28.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 118.685 0.675 . . . . 0.0 109.414 168.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.3 mp . . . . . 0 C--N 1.33 -0.269 0 C-N-CA 125.874 1.67 . . . . 0.0 108.964 179.552 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 59.7 t . . . . . 0 N--CA 1.475 0.781 0 N-CA-C 111.251 0.093 . . . . 0.0 111.251 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -137.27 -2.76 2.0 Favored 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 115.949 1.833 . . . . 0.0 115.949 177.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.1 mt 42.43 64.98 5.49 Favored Pre-proline 0 CA--C 1.558 1.269 0 C-N-CA 126.103 1.761 . . . . 0.0 114.662 -173.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -51.58 -29.05 30.98 Favored 'Trans proline' 0 CA--C 1.554 1.504 0 C-N-CA 123.451 2.767 . . . . 0.0 119.036 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -75.87 -160.42 0.11 Allowed 'Trans proline' 0 CA--C 1.547 1.162 0 C-N-CA 122.694 2.263 . . . . 0.0 114.773 -176.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -61.43 -6.32 2.24 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 119.998 -1.689 . . . . 0.0 114.785 176.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -59.49 -16.85 27.0 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 120.159 -1.588 . . . . 0.0 114.783 171.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 34.9 m -113.8 0.58 8.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 124.774 1.23 . . . . 0.0 114.012 174.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 42.9 p -96.43 7.08 47.37 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.647 1.179 . . . . 0.0 113.229 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -75.98 -179.52 4.95 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.097 1.359 . . . . 0.0 111.832 177.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -62.92 -40.22 96.96 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 121.121 -0.987 . . . . 0.0 112.163 -170.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 39.3 mt -137.67 139.04 43.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 124.681 1.192 . . . . 0.0 109.873 170.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -128.75 136.04 50.03 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.21 1.004 . . . . 0.0 110.02 168.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -136.15 156.88 48.05 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.393 1.077 . . . . 0.0 111.928 177.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -127.4 103.4 7.35 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.593 1.157 . . . . 0.0 111.222 177.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 37.8 m0 -101.25 82.3 2.32 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.168 1.787 . . . . 0.0 111.001 -175.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -74.74 126.43 30.88 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 121.614 -0.679 . . . . 0.0 111.145 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 72.2 mt -141.51 172.35 12.81 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.301 1.84 . . . . 0.0 110.887 -176.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -59.56 170.21 1.11 Allowed 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.094 1.358 . . . . 0.0 113.358 173.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -113.49 93.97 29.78 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 126.142 1.777 . . . . 0.0 110.13 175.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -68.88 -15.87 40.76 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 123.387 2.725 . . . . 0.0 115.958 -173.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -54.88 108.21 0.37 Allowed 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.99 1.316 . . . . 0.0 111.925 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 80.47 13.48 81.61 Favored Glycine 0 CA--C 1.539 1.55 0 C-N-CA 124.242 0.925 . . . . 0.0 114.69 -178.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -91.24 -102.1 0.11 Allowed 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 118.587 1.193 . . . . 0.0 110.89 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 88.9 p -161.24 162.01 30.99 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 126.52 1.928 . . . . 0.0 110.496 -178.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 75.0 mt -64.69 -35.99 82.81 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.476 -0.765 . . . . 0.0 112.371 -178.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.27 -31.08 72.14 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 173.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 71.3 t -75.02 -39.29 44.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 O-C-N 120.853 -1.154 . . . . 0.0 111.569 172.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -58.82 -46.04 88.57 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.497 1.044 . . . . 0.0 111.334 169.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 58.7 mtp85 -61.57 -39.55 91.53 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.75 1.22 . . . . 0.0 112.117 176.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 46.3 m -61.26 -41.18 96.47 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.345 1.058 . . . . 0.0 112.261 175.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 53.6 t -70.46 -50.23 47.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 O-C-N 121.512 -0.743 . . . . 0.0 111.411 172.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -52.57 -47.31 66.92 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.74 1.616 . . . . 0.0 112.585 -176.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -62.01 -37.73 94.91 Favored Glycine 0 N--CA 1.474 1.185 0 C-N-CA 123.407 0.527 . . . . 0.0 113.24 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -76.14 -41.25 50.59 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.718 -0.872 . . . . 0.0 111.888 178.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 65.8 t -57.61 -46.09 86.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 O-C-N 121.257 -0.902 . . . . 0.0 111.342 170.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 38.0 tttm -57.04 -55.83 29.65 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.109 0.963 . . . . 0.0 111.28 175.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -63.94 -36.89 85.43 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 118.762 -0.637 . . . . 0.0 112.096 -174.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 38.6 mtt180 -68.33 -37.47 80.59 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 117.76 -1.114 . . . . 0.0 111.7 175.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 15.3 t -61.19 -50.44 80.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-N 120.013 1.279 . . . . 0.0 112.584 169.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -60.05 -35.73 75.76 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 120.658 1.572 . . . . 0.0 112.773 178.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.55 -30.62 64.59 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 177.261 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 48.0 tp -75.17 -51.3 13.74 Favored 'General case' 0 C--O 1.226 -0.157 0 C-N-CA 123.856 0.862 . . . . 0.0 111.521 177.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.9 pt -61.11 -33.91 58.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 CA-C-N 119.663 1.119 . . . . 0.0 111.985 -175.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.1 -21.73 66.65 Favored 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 175.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -85.62 -39.3 17.47 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.931 1.292 . . . . 0.0 113.167 175.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.0 pp -110.97 0.15 9.37 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 N-CA-C 116.551 2.056 . . . . 0.0 116.551 -169.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.9 m . . . . . 0 C--O 1.254 1.314 0 C-N-CA 124.017 0.927 . . . . 0.0 112.305 173.735 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.3 ttm . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 111.347 0.128 . . . . 0.0 111.347 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -128.79 164.79 22.26 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 126.35 1.86 . . . . 0.0 110.0 169.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.413 ' HE2' ' O ' ' A' ' 72' ' ' ASP . 1.5 mppt? -110.32 141.16 43.72 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.469 1.108 . . . . 0.0 111.5 -174.026 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.0 t -121.89 139.42 48.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.136 0.974 . . . . 0.0 109.914 177.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 5.4 tpp -129.88 132.1 46.3 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 124.026 0.93 . . . . 0.0 110.163 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -110.21 112.3 24.18 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.405 1.082 . . . . 0.0 111.718 -174.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.6 t -89.81 137.49 21.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 125.901 1.681 . . . . 0.0 111.136 170.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 36.8 t -132.52 176.58 8.31 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.032 1.733 . . . . 0.0 107.192 168.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.0 ttpp -63.89 -59.63 4.28 Favored 'General case' 0 N--CA 1.483 1.176 0 O-C-N 120.298 -1.501 . . . . 0.0 110.36 178.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.296 0.3 OUTLIER -114.05 3.04 15.15 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 117.316 2.339 . . . . 0.0 117.316 -178.052 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 53.32 31.78 12.45 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 126.585 1.954 . . . . 0.0 115.201 176.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.6 p -85.96 -36.09 20.04 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.444 1.498 . . . . 0.0 112.509 170.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.6 p -142.25 175.62 9.62 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.678 1.991 . . . . 0.0 111.242 -169.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 96.7 mtm-85 55.86 -76.36 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 127.272 2.229 . . . . 0.0 114.236 -173.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.4 p -50.23 -39.94 46.12 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 126.06 1.744 . . . . 0.0 113.892 177.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 43.0 mm-40 -67.67 -37.12 81.91 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.774 0.829 . . . . 0.0 112.293 176.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.5 mtt -69.44 -38.48 77.82 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.014 0.925 . . . . 0.0 111.897 171.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.31 -41.29 96.74 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 119.125 0.875 . . . . 0.0 111.424 178.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 73.2 tt0 -61.69 -41.77 98.03 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.338 0.655 . . . . 0.0 111.2 169.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.56 -44.95 97.3 Favored Glycine 0 N--CA 1.475 1.298 0 C-N-CA 124.659 1.123 . . . . 0.0 115.679 175.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -67.17 -47.53 70.68 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 121.12 -1.223 . . . . 0.0 110.747 174.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.7 -42.12 86.94 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.493 -0.755 . . . . 0.0 112.935 -177.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.6 ptmm? -62.83 -24.38 67.74 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 119.394 0.997 . . . . 0.0 113.387 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.0 m -91.24 -52.48 4.79 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.518 1.527 . . . . 0.0 112.478 176.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.3 mt -81.52 -28.87 33.79 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.431 1.093 . . . . 0.0 112.284 -170.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -101.52 14.46 57.87 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 126.601 2.048 . . . . 0.0 114.283 173.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.24 113.25 1.07 Allowed 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 118.653 1.227 . . . . 0.0 113.032 -173.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.34 -5.67 82.45 Favored Glycine 0 N--CA 1.474 1.167 0 C-N-CA 124.054 0.835 . . . . 0.0 114.762 175.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -105.83 -27.75 11.05 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.368 1.467 . . . . 0.0 112.745 169.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 pp -128.69 172.87 14.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 123.536 0.734 . . . . 0.0 112.62 170.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -132.69 143.42 49.62 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.613 1.165 . . . . 0.0 109.353 169.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -139.72 151.83 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 N-CA-C 115.158 1.54 . . . . 0.0 115.158 -169.366 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.9 m -145.18 153.05 40.94 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.925 1.69 . . . . 0.0 109.31 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 93.4 p -128.55 151.16 49.77 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 120.768 -1.208 . . . . 0.0 112.105 169.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 19.1 p -154.31 -177.91 6.77 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.943 1.297 . . . . 0.0 110.696 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -148.71 167.49 29.27 Favored Glycine 0 N--CA 1.464 0.508 0 O-C-N 120.336 -1.478 . . . . 0.0 112.818 169.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.472 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.3 OUTLIER -66.53 -11.33 52.27 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 118.369 1.084 . . . . 0.0 112.979 175.47 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -148.17 172.85 13.66 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 127.688 2.395 . . . . 0.0 108.679 168.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.2 p -125.94 138.11 53.75 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.405 1.082 . . . . 0.0 112.333 -177.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.0 t -117.38 -130.73 0.31 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.265 1.826 . . . . 0.0 109.2 173.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.412 ' H ' ' HD3' ' A' ' 41' ' ' ARG . 0.1 OUTLIER -118.67 146.72 44.47 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 127.826 2.45 . . . . 0.0 109.081 170.748 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.78 129.21 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 CA-C-N 119.193 0.906 . . . . 0.0 108.664 169.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -72.88 129.45 86.58 Favored Pre-proline 0 CA--C 1.536 0.413 0 O-C-N 121.747 -0.596 . . . . 0.0 110.831 -171.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.61 -27.77 18.19 Favored 'Trans proline' 0 CA--C 1.536 0.591 0 CA-C-N 120.163 1.094 . . . . 0.0 112.184 -170.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.3 m -74.09 -28.55 61.42 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.433 -0.792 . . . . 0.0 111.658 175.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.61 -46.11 84.49 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 120.852 -1.155 . . . . 0.0 112.251 172.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.4 mt -60.2 -46.52 94.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 123.795 0.838 . . . . 0.0 110.063 175.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.61 -39.61 88.81 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 178.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 12.5 mmt -75.16 -23.87 57.84 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.139 1.375 . . . . 0.0 112.382 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -78.24 -36.06 47.48 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.329 1.052 . . . . 0.0 110.308 169.231 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -68.47 -25.44 64.99 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.01 -1.056 . . . . 0.0 113.095 178.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -59.67 -29.14 67.86 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 119.535 1.061 . . . . 0.0 112.882 171.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.4 m -102.48 12.47 7.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 125.295 1.438 . . . . 0.0 112.618 175.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.88 19.83 79.61 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 125.15 1.357 . . . . 0.0 115.118 177.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 52.1 mt -100.99 139.64 21.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 125.454 1.501 . . . . 0.0 109.953 -178.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -114.45 120.41 40.18 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.267 1.027 . . . . 0.0 111.689 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 34.9 pt -119.71 11.83 6.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.42 1.488 . . . . 0.0 113.012 170.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 89.8 p -65.77 -20.08 66.13 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 120.622 -1.299 . . . . 0.0 114.276 -173.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -79.38 -2.51 87.72 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 124.689 1.138 . . . . 0.0 115.151 172.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -93.1 156.66 16.73 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 119.017 1.409 . . . . 0.0 110.778 178.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 34.6 p -143.87 164.83 29.43 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 127.754 2.422 . . . . 0.0 105.893 177.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.1 m -79.28 134.16 36.64 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.285 -0.885 . . . . 0.0 111.726 179.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -136.57 147.51 60.03 Favored Pre-proline 0 N--CA 1.482 1.151 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -179.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -86.95 145.39 7.56 Favored 'Trans proline' 0 CA--C 1.542 0.875 0 C-N-CA 123.543 2.829 . . . . 0.0 114.216 -173.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 8.5 tt -57.44 -34.48 46.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 126.792 2.037 . . . . 0.0 112.095 178.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -61.35 -23.15 65.55 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 -177.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.51 -12.52 39.77 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 177.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -98.63 170.61 8.67 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.883 1.273 . . . . 0.0 113.963 -169.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -120.54 87.69 2.8 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.25 1.42 . . . . 0.0 113.096 -169.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.37 -35.05 26.36 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -59.24 -26.96 65.33 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.148 1.379 . . . . 0.0 114.178 -176.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.413 ' O ' ' HE2' ' A' ' 3' ' ' LYS . 33.2 t70 -85.95 -28.12 24.48 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 176.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -81.35 93.94 6.67 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 121.524 -0.735 . . . . 0.0 109.434 -174.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -48.49 -34.43 11.16 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.417 1.087 . . . . 0.0 111.853 177.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 45.5 t -127.03 137.92 56.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 C-N-CA 124.217 1.007 . . . . 0.0 110.912 172.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 52.5 t -122.76 136.7 58.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 123.858 0.863 . . . . 0.0 110.068 170.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 28.4 mm -121.85 135.5 61.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 C-N-CA 124.518 1.127 . . . . 0.0 109.117 -179.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.5 t -102.34 140.31 36.79 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 124.041 0.937 . . . . 0.0 109.933 169.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.3 mp . . . . . 0 CA--C 1.537 0.473 0 C-N-CA 126.033 1.733 . . . . 0.0 109.007 -179.118 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 61.4 t . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -137.97 1.23 2.25 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 115.726 1.75 . . . . 0.0 115.726 178.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 51.5 mt 42.95 61.37 9.62 Favored Pre-proline 0 CA--C 1.556 1.194 0 C-N-CA 126.0 1.72 . . . . 0.0 114.508 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -58.48 -17.05 32.3 Favored 'Trans proline' 0 CA--C 1.555 1.571 0 N-CA-C 118.874 2.605 . . . . 0.0 118.874 -177.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_exo -75.88 -159.5 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 CA-C-N 123.86 2.414 . . . . 0.0 114.156 175.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -58.6 -11.65 3.26 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 120.143 -1.598 . . . . 0.0 115.225 176.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 79.8 m95 -57.11 -20.68 27.02 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.765 2.026 . . . . 0.0 115.671 177.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 17.6 m -109.01 -12.6 10.96 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 -178.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.0 t -97.66 16.99 18.89 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-O 122.356 1.074 . . . . 0.0 112.707 -179.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -72.69 176.21 5.73 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.267 1.027 . . . . 0.0 110.31 169.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -63.01 -36.57 83.98 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 120.799 -1.188 . . . . 0.0 112.975 -169.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 34.9 mt -136.96 138.01 46.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 124.186 0.994 . . . . 0.0 109.948 169.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -127.97 135.7 50.29 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.411 1.084 . . . . 0.0 109.982 168.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -136.0 156.61 48.48 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.534 1.134 . . . . 0.0 111.812 176.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -128.04 104.12 7.61 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.704 1.202 . . . . 0.0 111.032 176.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 34.7 m0 -96.38 86.06 4.09 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.746 1.618 . . . . 0.0 110.456 -177.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -76.5 114.46 15.25 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.599 -0.688 . . . . 0.0 110.345 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 79.2 mt -136.37 171.83 13.9 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 126.324 1.85 . . . . 0.0 111.507 -177.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 21.9 mp0 -59.66 167.77 1.93 Allowed 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.87 2.068 . . . . 0.0 112.55 175.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -118.6 92.32 43.71 Favored Pre-proline 0 CA--C 1.545 0.788 0 C-N-CA 125.265 1.426 . . . . 0.0 111.666 -177.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -71.57 -17.92 29.59 Favored 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 123.764 2.976 . . . . 0.0 116.463 -170.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -56.31 101.1 0.05 OUTLIER 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 126.056 1.742 . . . . 0.0 111.412 -177.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 86.62 14.09 66.22 Favored Glycine 0 CA--C 1.54 1.656 0 C-N-CA 124.443 1.02 . . . . 0.0 115.415 -177.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -90.84 -106.69 0.1 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.115 1.366 . . . . 0.0 111.003 177.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.6 t -155.57 167.56 29.97 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 126.144 1.778 . . . . 0.0 110.172 173.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.0 mp -66.98 -31.44 72.01 Favored 'General case' 0 C--O 1.222 -0.381 0 C-N-CA 124.309 1.043 . . . . 0.0 112.114 -174.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -61.87 -35.06 77.19 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.17 -0.956 . . . . 0.0 111.874 171.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 87.6 t -74.21 -37.53 46.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 123.52 0.728 . . . . 0.0 110.903 175.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -60.83 -49.09 78.9 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 119.092 0.86 . . . . 0.0 111.355 170.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -59.28 -39.35 82.64 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.524 1.13 . . . . 0.0 111.642 177.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 58.7 m -65.65 -38.93 90.74 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.419 0.687 . . . . 0.0 112.336 178.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 38.4 t -67.46 -46.67 82.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 O-C-N 121.284 -0.885 . . . . 0.0 111.36 169.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.62 -44.49 73.19 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.392 1.077 . . . . 0.0 112.496 -176.124 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -61.11 -37.72 94.4 Favored Glycine 0 CA--C 1.533 1.206 0 CA-C-N 118.044 0.383 . . . . 0.0 112.773 -179.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -79.11 -45.98 18.95 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.261 0.624 . . . . 0.0 111.481 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 48.2 t -55.97 -43.43 75.01 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 O-C-N 120.95 -1.094 . . . . 0.0 111.155 172.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 41.9 tttm -58.43 -54.33 48.28 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.557 1.143 . . . . 0.0 111.666 173.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -64.89 -36.63 84.98 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 118.88 0.764 . . . . 0.0 112.242 -174.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 28.9 mmm180 -64.09 -42.77 96.81 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 118.11 -0.948 . . . . 0.0 111.172 173.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 20.9 t -60.54 -51.16 76.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 CA-C-O 117.854 -1.07 . . . . 0.0 113.039 171.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -59.26 -35.58 73.97 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 120.745 1.611 . . . . 0.0 112.631 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.11 -27.3 61.62 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 177.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 47.0 tp -80.93 -49.02 11.51 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 124.257 1.023 . . . . 0.0 111.963 178.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 10.9 pt -64.1 -28.59 45.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 CA-C-N 119.1 0.864 . . . . 0.0 112.645 -175.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.0 -19.43 63.33 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 174.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -88.13 -44.24 11.06 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.974 1.31 . . . . 0.0 112.728 174.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.286 1.3 pp -100.36 -3.18 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 N-CA-C 116.822 2.156 . . . . 0.0 116.822 -169.65 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 66.7 p . . . . . 0 C--O 1.253 1.254 0 CA-C-N 120.192 1.36 . . . . 0.0 114.012 177.153 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.418 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 10.7 ttt . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 111.433 0.16 . . . . 0.0 111.433 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -130.52 164.94 23.76 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 125.76 1.624 . . . . 0.0 110.894 170.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -108.78 141.34 40.92 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.549 1.14 . . . . 0.0 112.054 -176.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.5 t -121.91 141.14 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 124.626 1.17 . . . . 0.0 109.75 179.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.7 tpp -131.28 134.36 46.32 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.69 0.796 . . . . 0.0 110.418 178.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -105.36 130.82 53.39 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 124.584 1.154 . . . . 0.0 111.098 -177.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.465 HG21 HD12 ' A' ' 65' ' ' ILE . 3.5 t -113.14 134.71 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 126.647 1.979 . . . . 0.0 109.483 172.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.3 t -135.28 171.03 15.02 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.717 1.207 . . . . 0.0 110.314 171.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.12 -26.89 64.17 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -172.018 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.62 4.29 1.73 Allowed 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 116.865 2.172 . . . . 0.0 116.865 170.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 53.62 33.0 15.48 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 126.389 1.875 . . . . 0.0 115.46 178.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.9 p -89.14 -41.77 12.07 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.935 1.294 . . . . 0.0 112.414 176.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.7 t -132.0 -156.93 0.78 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 126.976 2.11 . . . . 0.0 110.08 178.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 50.64 -89.95 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 127.335 2.254 . . . . 0.0 113.039 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.9 p -41.25 -43.76 2.47 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 126.815 2.046 . . . . 0.0 114.547 171.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -65.93 -35.66 81.21 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 121.132 -0.98 . . . . 0.0 112.645 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 43.8 mtt -70.39 -33.22 71.14 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.637 0.775 . . . . 0.0 111.819 172.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.83 -40.25 94.88 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.408 0.683 . . . . 0.0 112.018 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -62.65 -40.92 98.54 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.969 -0.457 . . . . 0.0 111.043 169.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.12 -48.8 80.73 Favored Glycine 0 N--CA 1.472 1.073 0 C-N-CA 124.191 0.901 . . . . 0.0 114.111 175.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -69.72 -45.32 68.47 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 118.623 1.211 . . . . 0.0 111.703 176.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.18 -41.81 94.24 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.551 -0.718 . . . . 0.0 112.643 -177.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -65.93 -25.22 67.03 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-N 119.769 1.168 . . . . 0.0 113.222 -179.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.5 m -89.85 -48.83 6.99 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.604 1.562 . . . . 0.0 112.347 179.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 69.7 mt -85.24 -30.83 23.52 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.676 1.19 . . . . 0.0 112.118 -173.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -100.14 15.28 59.31 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 126.72 2.105 . . . . 0.0 114.463 172.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -45.88 109.54 0.19 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.134 1.373 . . . . 0.0 113.754 -175.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.59 -18.4 15.2 Favored Glycine 0 CA--C 1.532 1.153 0 C-N-CA 124.822 1.201 . . . . 0.0 114.631 175.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 1' ' ' MET . 17.2 ptmt -85.8 -26.03 25.98 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 118.336 1.068 . . . . 0.0 112.63 169.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.3 pp -133.5 171.12 18.58 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 C-N-CA 123.941 0.896 . . . . 0.0 111.576 169.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -131.26 147.6 52.6 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.221 1.008 . . . . 0.0 109.505 168.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.64 151.31 20.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 N-CA-C 115.409 1.633 . . . . 0.0 115.409 -169.202 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.0 m -139.86 150.54 44.76 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.661 1.584 . . . . 0.0 110.061 177.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.6 t -122.29 139.69 53.51 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.816 1.646 . . . . 0.0 111.981 175.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 15.2 p -154.35 -177.79 6.69 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.735 1.614 . . . . 0.0 111.871 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -143.57 165.18 27.23 Favored Glycine 0 N--CA 1.468 0.775 0 O-C-N 120.261 -1.524 . . . . 0.0 112.193 169.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.551 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.6 OUTLIER -66.81 -10.39 47.25 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 118.386 1.093 . . . . 0.0 113.197 174.195 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -155.63 168.43 27.18 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 128.304 2.642 . . . . 0.0 108.664 169.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.2 t -118.36 146.8 44.11 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.255 1.022 . . . . 0.0 113.002 -171.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 35.1 t -126.83 -116.25 0.27 Allowed 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 126.651 1.98 . . . . 0.0 109.472 173.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.62 150.61 42.22 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 127.66 2.384 . . . . 0.0 109.482 172.366 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.2 t -58.42 132.24 23.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 CA-C-N 119.244 0.929 . . . . 0.0 109.823 170.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -78.96 124.59 84.77 Favored Pre-proline 0 N--CA 1.465 0.28 0 CA-C-O 119.075 -0.488 . . . . 0.0 110.552 -178.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -73.2 -21.4 20.29 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 121.062 1.174 . . . . 0.0 112.29 -170.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.8 m -74.49 -28.4 60.99 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 121.254 -0.904 . . . . 0.0 111.481 172.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.05 -42.69 95.01 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.841 1.2 . . . . 0.0 111.452 172.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -58.68 -45.39 90.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 123.582 0.753 . . . . 0.0 109.28 175.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.69 -43.43 98.83 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 178.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 11.6 mmt -70.17 -22.72 62.93 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.913 0.885 . . . . 0.0 112.481 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 78.8 mmm -82.42 -35.09 27.95 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.775 0.83 . . . . 0.0 111.858 169.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -64.8 -26.18 68.23 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 120.834 -1.166 . . . . 0.0 112.262 172.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -63.66 -17.83 63.34 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 172.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.4 m -114.98 13.34 8.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 125.754 1.622 . . . . 0.0 112.734 171.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.44 22.6 78.59 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 124.756 1.17 . . . . 0.0 115.2 176.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.3 mt -111.08 138.03 41.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 125.396 1.478 . . . . 0.0 109.656 179.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -99.64 134.72 42.12 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.394 1.078 . . . . 0.0 112.029 177.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.7 pt -130.65 14.52 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 C-N-CA 124.114 0.965 . . . . 0.0 111.943 169.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.0 m -69.9 -23.25 63.21 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.355 1.462 . . . . 0.0 113.893 -171.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -80.32 2.24 77.83 Favored Glycine 0 CA--C 1.539 1.57 0 C-N-CA 124.899 1.238 . . . . 0.0 114.717 175.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -99.2 158.79 15.45 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.332 1.453 . . . . 0.0 110.092 176.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.1 t -149.87 176.16 10.99 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 106.313 -1.736 . . . . 0.0 106.313 169.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.4 m -74.97 134.79 41.42 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.943 -177.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -139.4 145.28 43.47 Favored Pre-proline 0 CA--C 1.547 0.846 0 C-N-CA 124.689 1.195 . . . . 0.0 113.51 177.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -85.8 144.77 8.76 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 123.719 2.946 . . . . 0.0 113.684 -176.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.465 HD12 HG21 ' A' ' 7' ' ' VAL . 9.4 tt -56.61 -36.31 47.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 126.617 1.967 . . . . 0.0 111.771 177.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -60.88 -24.29 65.83 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -176.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -85.1 -15.1 45.05 Favored 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 177.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -100.74 177.3 5.03 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.777 1.231 . . . . 0.0 113.219 -171.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -117.6 97.54 5.92 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.97 1.708 . . . . 0.0 112.771 -171.361 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.453 ' HB2' ' CD2' ' A' ' 90' ' ' TRP . . . -57.62 -28.66 63.88 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 121.342 -0.849 . . . . 0.0 113.252 177.326 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -62.72 -36.22 82.27 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.962 1.705 . . . . 0.0 114.052 -176.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -87.05 -32.19 20.11 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -175.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -72.83 105.24 4.29 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 177.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -55.35 -31.45 61.74 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.815 0.846 . . . . 0.0 111.92 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 57.4 t -131.77 140.35 48.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 125.387 1.475 . . . . 0.0 110.202 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 51.1 t -126.81 139.32 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 123.99 0.916 . . . . 0.0 110.087 173.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 25.1 mm -126.81 133.28 68.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 124.352 1.061 . . . . 0.0 110.434 -174.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 45.0 t -99.54 136.5 39.38 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.819 0.848 . . . . 0.0 111.353 169.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.3 mp . . . . . 0 N--CA 1.469 0.484 0 C-N-CA 125.831 1.652 . . . . 0.0 109.872 176.078 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 60.3 t . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -140.06 5.42 2.12 Favored 'General case' 0 CA--C 1.551 0.981 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 178.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.429 HD13 ' HB3' ' A' ' 90' ' ' TRP . 66.4 mt 41.92 68.27 2.74 Favored Pre-proline 0 N--CA 1.482 1.168 0 C-N-CA 126.508 1.923 . . . . 0.0 114.843 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -51.53 -29.41 31.89 Favored 'Trans proline' 0 CA--C 1.556 1.602 0 C-N-CA 123.284 2.656 . . . . 0.0 118.937 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_exo -75.24 -159.49 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.102 0 C-N-CA 122.851 2.367 . . . . 0.0 115.595 -177.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -57.98 -3.72 0.26 Allowed 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.981 1.712 . . . . 0.0 115.165 171.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.453 ' CD2' ' HB2' ' A' ' 70' ' ' ALA . 98.4 m95 -76.02 8.06 3.53 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.063 1.745 . . . . 0.0 115.277 173.183 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 34.7 m -132.94 10.63 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 125.073 1.349 . . . . 0.0 113.411 169.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 62.1 p -99.74 10.73 40.84 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.831 1.252 . . . . 0.0 112.931 -179.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 21.7 mp0 -59.57 177.04 0.22 Allowed 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 129.246 3.018 . . . . 0.0 114.118 177.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -65.5 -43.13 91.08 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.235 169.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 36.4 mt -137.42 141.08 40.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 125.431 1.493 . . . . 0.0 109.852 173.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -130.8 132.54 45.31 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.368 1.067 . . . . 0.0 108.797 168.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -135.05 152.69 51.92 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.431 1.093 . . . . 0.0 111.323 178.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -132.31 66.09 1.56 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.101 0.96 . . . . 0.0 111.773 -175.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -71.02 99.69 1.86 Allowed 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.031 -1.043 . . . . 0.0 110.303 179.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -78.9 124.08 27.88 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.4 -0.812 . . . . 0.0 110.724 -173.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 96.1 mt -139.95 151.45 45.56 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.687 1.595 . . . . 0.0 108.702 -179.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -71.87 160.37 32.67 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 121.553 0.692 . . . . 0.0 112.0 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.419 ' HA ' ' HD3' ' A' ' 104' ' ' PRO . 9.8 t70 -93.85 115.88 65.71 Favored Pre-proline 0 CA--C 1.547 0.839 0 CA-C-O 118.62 -0.705 . . . . 0.0 111.749 -178.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 103' ' ' ASP . 52.6 Cg_exo -73.43 -9.1 22.66 Favored 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 123.268 2.645 . . . . 0.0 116.765 -174.109 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -57.71 110.49 0.9 Allowed 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 119.913 1.233 . . . . 0.0 111.86 -176.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.64 15.81 80.46 Favored Glycine 0 CA--C 1.539 1.554 0 CA-C-O 119.101 -0.833 . . . . 0.0 114.712 -179.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -85.65 -96.67 0.07 Allowed 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 118.374 1.087 . . . . 0.0 110.863 178.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 53.9 p -159.44 162.01 35.6 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 126.563 1.945 . . . . 0.0 109.344 172.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.9 mp -69.83 -24.78 63.5 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.51 -0.744 . . . . 0.0 111.313 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -66.29 -39.19 89.21 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 121.053 -1.03 . . . . 0.0 111.44 169.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.2 t -66.89 -40.71 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 O-C-N 121.222 -0.924 . . . . 0.0 110.958 172.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.403 ' CE1' ' HB2' ' A' ' 104' ' ' PRO . 12.2 m-85 -59.01 -49.04 79.43 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 119.817 1.19 . . . . 0.0 111.56 173.19 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 81.2 mtt-85 -60.14 -39.26 85.7 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.879 0.871 . . . . 0.0 111.792 177.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 98.5 m -64.2 -46.11 85.36 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.069 0.947 . . . . 0.0 111.457 177.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 57.3 t -68.74 -46.36 79.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 123.568 0.747 . . . . 0.0 110.984 177.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 49.4 ttp180 -52.52 -48.56 65.97 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.581 1.552 . . . . 0.0 112.113 176.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -58.92 -38.46 92.65 Favored Glycine 0 N--CA 1.472 1.043 0 C-N-CA 124.0 0.809 . . . . 0.0 113.071 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -74.57 -46.98 35.23 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 117.928 0.864 . . . . 0.0 112.412 173.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 99.6 t -52.82 -40.51 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 CA-C-N 120.218 1.372 . . . . 0.0 111.394 175.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 38.0 tttm -57.8 -57.6 12.03 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.884 0.874 . . . . 0.0 111.742 171.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -66.34 -35.12 79.56 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -173.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -64.66 -41.81 95.83 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.49 1.041 . . . . 0.0 110.398 175.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 11.8 t -62.65 -50.49 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 CA-C-O 117.592 -1.194 . . . . 0.0 113.114 170.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -57.45 -35.69 70.44 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 121.298 1.863 . . . . 0.0 113.019 178.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -25.31 59.68 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 112.997 0.739 . . . . 0.0 112.997 178.358 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 59.3 tp -82.82 -47.89 11.39 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.554 1.141 . . . . 0.0 111.851 177.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 11.8 pt -63.79 -29.27 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 CA-C-N 119.533 1.061 . . . . 0.0 112.699 -175.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.13 -21.83 64.91 Favored 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 174.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -86.18 -42.52 13.76 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.244 1.418 . . . . 0.0 112.871 175.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.293 1.4 pp -104.32 2.17 10.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 N-CA-C 116.45 2.019 . . . . 0.0 116.45 -170.261 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 32.3 t . . . . . 0 C--O 1.255 1.365 0 CA-C-N 119.344 0.975 . . . . 0.0 112.267 169.65 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.416 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 11.5 ttt . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 119.911 -0.09 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -130.77 164.29 25.44 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 125.87 1.668 . . . . 0.0 112.051 174.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -107.02 136.7 46.44 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.027 1.331 . . . . 0.0 110.963 -177.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.3 t -122.38 139.94 47.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 124.225 1.01 . . . . 0.0 109.923 177.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 8.2 tpp -131.22 133.95 45.97 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.024 0.93 . . . . 0.0 110.67 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -112.32 118.06 34.2 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.723 1.209 . . . . 0.0 112.169 -173.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.4 t -96.16 138.59 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 126.52 1.928 . . . . 0.0 111.515 174.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 48.9 t -137.29 178.32 7.19 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.866 1.667 . . . . 0.0 109.305 169.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -54.96 -60.74 2.95 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 120.009 1.277 . . . . 0.0 112.206 178.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -126.03 16.43 7.91 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 115.402 1.63 . . . . 0.0 115.402 -177.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 52.21 37.01 20.82 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 127.1 2.16 . . . . 0.0 113.739 -176.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.9 p -91.15 -49.49 6.36 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.904 1.681 . . . . 0.0 112.402 -179.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.6 t -131.77 179.18 6.22 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.968 1.707 . . . . 0.0 110.691 -178.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.1 mtt85 54.53 -73.08 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 128.089 2.556 . . . . 0.0 114.37 -171.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.7 p -51.61 -38.94 56.9 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 126.439 1.895 . . . . 0.0 113.77 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -71.39 -36.04 71.27 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.31 0.644 . . . . 0.0 111.67 177.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 45.4 mtt -68.43 -40.25 81.24 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.68 0.792 . . . . 0.0 111.08 171.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.41 -43.72 88.74 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.027 0.931 . . . . 0.0 111.631 177.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 -61.02 -40.45 93.63 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.5 0.72 . . . . 0.0 111.309 169.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.08 -51.02 59.91 Favored Glycine 0 N--CA 1.472 1.061 0 C-N-CA 125.75 1.643 . . . . 0.0 115.319 173.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -67.55 -46.33 73.07 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.751 1.776 . . . . 0.0 110.131 176.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.1 -41.72 90.24 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 113.21 0.818 . . . . 0.0 113.21 -173.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -62.01 -26.9 68.5 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-N 119.307 0.958 . . . . 0.0 113.005 178.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.6 m -90.35 -52.38 4.95 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.954 1.701 . . . . 0.0 112.699 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 76.6 mt -85.11 -29.4 24.87 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.181 1.392 . . . . 0.0 112.327 -171.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -98.81 11.85 62.6 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 126.172 1.844 . . . . 0.0 114.452 173.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.5 111.42 0.49 Allowed 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 119.234 1.517 . . . . 0.0 113.392 -173.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.15 -18.28 23.45 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 124.715 1.15 . . . . 0.0 115.036 176.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 1' ' ' MET . 16.8 ptmt -88.74 -26.06 21.97 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.299 1.04 . . . . 0.0 112.706 169.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 pp -133.98 170.82 19.02 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 123.968 0.907 . . . . 0.0 111.987 169.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.5 145.18 51.19 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.141 0.976 . . . . 0.0 109.599 168.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -140.37 151.03 21.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 N-CA-C 115.174 1.546 . . . . 0.0 115.174 -169.378 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.9 m -145.75 151.09 37.41 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.902 1.681 . . . . 0.0 109.139 178.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 89.0 p -124.33 150.26 45.67 Favored 'General case' 0 N--CA 1.468 0.425 0 O-C-N 120.944 -1.098 . . . . 0.0 111.839 169.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 15.8 p -153.91 -176.17 5.72 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.446 1.498 . . . . 0.0 110.664 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -153.56 168.54 32.17 Favored Glycine 0 C--O 1.223 -0.562 0 O-C-N 120.323 -1.486 . . . . 0.0 112.759 171.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.499 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -66.29 -12.87 59.05 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 118.634 1.217 . . . . 0.0 112.932 174.716 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -138.44 176.64 8.52 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 127.766 2.427 . . . . 0.0 109.55 169.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.8 p -136.38 144.89 44.8 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.147 1.379 . . . . 0.0 111.31 171.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 40.5 m -137.4 -75.66 0.41 Allowed 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.156 0.583 . . . . 0.0 112.481 170.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.15 161.79 22.45 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 126.841 2.057 . . . . 0.0 109.843 169.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.8 t -62.42 137.52 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 CA-C-N 119.498 1.045 . . . . 0.0 108.512 169.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -66.24 124.55 88.29 Favored Pre-proline 0 N--CA 1.466 0.371 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 174.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.43 -24.96 30.62 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 CA-C-N 120.298 1.142 . . . . 0.0 112.205 -169.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.1 m -71.95 -29.35 64.18 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.441 -0.787 . . . . 0.0 111.932 173.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.59 -44.49 93.34 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 120.625 -1.297 . . . . 0.0 111.523 174.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.1 mt -59.0 -43.82 89.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.847 0.859 . . . . 0.0 110.81 174.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.85 -37.12 86.19 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 177.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 14.4 mmt -74.46 -29.17 61.35 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.988 1.315 . . . . 0.0 112.768 178.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 85.1 mmm -75.78 -31.97 59.71 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.696 0.68 . . . . 0.0 111.514 169.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -68.61 -23.36 64.44 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.361 -0.837 . . . . 0.0 113.224 174.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -60.48 -32.34 71.33 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.851 1.205 . . . . 0.0 112.705 171.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.1 m -98.44 10.63 6.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 125.033 1.333 . . . . 0.0 112.526 176.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.9 19.34 78.18 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 124.83 1.205 . . . . 0.0 114.759 176.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 63.7 mt -101.87 129.61 52.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 124.734 1.214 . . . . 0.0 110.18 -179.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -97.14 118.74 34.24 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -177.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 9.4 pt -122.23 14.26 5.74 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 C-N-CA 125.049 1.34 . . . . 0.0 111.893 169.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.2 m -65.25 -30.83 71.74 Favored 'General case' 0 N--CA 1.48 1.057 0 O-C-N 120.74 -1.225 . . . . 0.0 113.063 -172.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -83.31 3.09 85.89 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 124.803 1.192 . . . . 0.0 114.95 176.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -86.61 158.8 19.41 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.348 1.574 . . . . 0.0 110.896 176.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 23.7 p -140.94 161.36 38.0 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 127.917 2.487 . . . . 0.0 107.682 -178.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 65.3 p -87.53 137.63 32.18 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.515 -0.74 . . . . 0.0 112.731 178.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -137.72 146.67 53.94 Favored Pre-proline 0 N--CA 1.478 0.963 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 -178.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -87.65 146.0 6.93 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 123.623 2.882 . . . . 0.0 113.912 -172.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.7 tt -55.87 -35.34 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 127.508 2.323 . . . . 0.0 112.153 178.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -60.39 -23.96 64.75 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.641 1.177 . . . . 0.0 113.947 -178.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.06 -14.25 34.21 Favored 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 178.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -96.14 171.83 8.36 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.637 1.175 . . . . 0.0 113.501 -169.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -121.26 86.65 2.61 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.461 1.505 . . . . 0.0 112.452 -169.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.88 -34.27 27.49 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -178.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -58.99 -26.38 64.46 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.337 1.455 . . . . 0.0 114.184 -178.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -93.41 0.99 57.03 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 178.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -106.62 103.21 12.61 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.188 -0.945 . . . . 0.0 108.815 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -51.71 -38.57 55.74 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.48 0.712 . . . . 0.0 111.186 175.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 38.5 t -126.81 136.58 60.38 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 C-N-CA 124.102 0.961 . . . . 0.0 110.422 177.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 48.7 t -121.44 137.76 54.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 123.781 0.833 . . . . 0.0 109.697 170.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 30.3 mm -123.42 137.49 56.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 124.554 1.142 . . . . 0.0 109.748 -177.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.0 t -105.28 135.84 45.9 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.415 0.686 . . . . 0.0 110.758 169.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.2 mp . . . . . 0 N--CA 1.472 0.63 0 C-N-CA 125.356 1.463 . . . . 0.0 109.896 -178.09 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 30.9 t . . . . . 0 N--CA 1.476 0.843 0 N-CA-C 111.506 0.188 . . . . 0.0 111.506 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -134.98 -6.07 2.38 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 115.707 1.743 . . . . 0.0 115.707 -177.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.5 mt 44.24 65.8 5.6 Favored Pre-proline 0 CA--C 1.555 1.142 0 C-N-CA 126.341 1.856 . . . . 0.0 114.806 -179.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -51.17 -28.64 26.3 Favored 'Trans proline' 0 CA--C 1.555 1.539 0 N-CA-C 119.196 2.729 . . . . 0.0 119.196 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -76.12 -160.83 0.12 Allowed 'Trans proline' 0 CA--C 1.549 1.247 0 C-N-CA 122.713 2.275 . . . . 0.0 114.655 -177.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -58.07 -8.81 1.15 Allowed 'General case' 0 N--CA 1.478 0.97 0 O-C-N 120.073 -1.642 . . . . 0.0 115.009 175.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 89.3 m95 -58.67 -16.77 17.78 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.797 1.639 . . . . 0.0 114.714 171.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.6 m -117.77 1.95 7.69 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 174.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 37.4 p -94.14 2.1 56.01 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.142 0.977 . . . . 0.0 113.054 176.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 -71.8 175.16 5.98 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.284 1.034 . . . . 0.0 112.055 174.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -63.81 -36.66 84.62 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 113.083 0.771 . . . . 0.0 113.083 -169.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 44.5 mt -137.23 137.82 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.019 0.927 . . . . 0.0 110.504 170.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -128.17 133.31 48.89 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.346 1.058 . . . . 0.0 109.515 168.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -135.57 150.55 49.74 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.473 1.109 . . . . 0.0 111.181 174.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -120.3 112.58 19.21 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 122.049 0.928 . . . . 0.0 111.616 173.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.468 ' CE2' ' HB3' ' A' ' 122' ' ' ARG . 37.3 m0 -100.25 78.32 2.04 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 126.087 1.755 . . . . 0.0 109.894 -174.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -73.87 118.94 17.41 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.028 0.531 . . . . 0.0 110.333 -178.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 81.0 mt -135.26 171.18 14.8 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.486 1.914 . . . . 0.0 110.095 177.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -68.43 177.61 2.31 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.622 0.769 . . . . 0.0 112.516 176.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -117.92 98.25 51.41 Favored Pre-proline 0 CA--C 1.548 0.882 0 C-N-CA 124.623 1.169 . . . . 0.0 112.403 -169.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -70.41 -15.09 34.61 Favored 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 123.79 2.993 . . . . 0.0 117.265 -169.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -57.57 113.46 1.81 Allowed 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 119.571 1.078 . . . . 0.0 112.236 -176.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.33 15.02 81.79 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 123.861 0.743 . . . . 0.0 114.036 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -88.37 -105.73 0.08 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.33 1.052 . . . . 0.0 110.742 177.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 67.0 m -154.35 156.54 37.08 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.939 2.096 . . . . 0.0 109.365 -176.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 67.5 mt -62.36 -34.63 77.04 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.377 -0.827 . . . . 0.0 112.249 178.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -58.44 -37.37 75.28 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.573 0.749 . . . . 0.0 112.211 172.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 56.7 t -74.08 -38.57 49.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 O-C-N 122.047 -0.408 . . . . 0.0 110.515 178.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -60.19 -46.89 88.18 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 118.21 0.459 . . . . 0.0 111.299 170.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 59.3 mtp85 -60.28 -39.54 87.25 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.967 1.307 . . . . 0.0 112.162 176.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 56.0 m -64.33 -38.66 91.83 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.575 1.15 . . . . 0.0 112.093 176.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 53.6 t -72.92 -50.16 34.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 O-C-N 121.685 -0.635 . . . . 0.0 111.209 172.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -46.6 -52.09 14.3 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 126.645 1.978 . . . . 0.0 112.096 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -59.73 -42.29 97.9 Favored Glycine 0 N--CA 1.473 1.13 0 C-N-CA 123.796 0.712 . . . . 0.0 113.725 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -72.82 -36.62 67.54 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.226 -1.161 . . . . 0.0 112.032 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 41.1 t -66.37 -41.8 89.46 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 O-C-N 121.023 -1.048 . . . . 0.0 110.787 172.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -56.73 -46.78 81.12 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.34 1.056 . . . . 0.0 110.924 171.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -56.67 -52.79 63.56 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.083 0.553 . . . . 0.0 111.835 174.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.496 ' HA ' HD22 ' A' ' 125' ' ' ASN . 24.5 mmm180 -60.88 -36.44 79.19 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 118.302 -0.856 . . . . 0.0 111.376 -176.392 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 52.3 t -65.71 -54.7 24.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-O 117.621 -1.181 . . . . 0.0 113.962 169.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -58.71 -36.18 73.85 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 121.062 1.755 . . . . 0.0 112.056 -178.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.496 HD22 ' HA ' ' A' ' 122' ' ' ARG . 0.0 OUTLIER -77.32 -26.78 52.49 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 179.336 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 56.2 tp -73.91 -51.5 15.94 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 124.367 1.067 . . . . 0.0 112.876 170.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 11.2 pt -62.24 -29.62 47.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 CA-C-N 119.54 1.064 . . . . 0.0 111.958 -174.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.96 -23.08 66.53 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 176.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -96.44 -32.89 12.1 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 114.973 1.471 . . . . 0.0 114.973 175.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.275 1.8 pp -101.1 -5.93 9.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 N-CA-C 117.14 2.274 . . . . 0.0 117.14 -177.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 48.3 m . . . . . 0 C--O 1.254 1.323 0 CA-C-N 120.504 1.502 . . . . 0.0 113.012 177.544 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.462 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 15.6 ttt . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 119.624 -0.227 . . . . 0.0 111.436 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 42.7 mttm -130.33 163.91 25.79 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 125.451 1.5 . . . . 0.0 112.355 174.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -104.99 137.12 43.22 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.606 1.162 . . . . 0.0 111.216 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.5 t -124.21 138.84 52.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 124.571 1.148 . . . . 0.0 109.721 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 5.4 tpp -131.76 133.43 44.76 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.708 0.803 . . . . 0.0 110.035 -177.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -104.48 140.86 37.34 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.609 0.764 . . . . 0.0 111.763 -176.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.3 t -122.12 127.64 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 126.68 1.992 . . . . 0.0 110.28 174.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 40.4 t -126.76 172.08 10.65 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.906 1.683 . . . . 0.0 108.8 169.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.1 ttpp -61.27 -52.42 64.81 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 119.245 0.93 . . . . 0.0 111.744 -175.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.337 0.2 OUTLIER -120.91 9.46 10.64 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 117.312 2.338 . . . . 0.0 117.312 175.879 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 54.23 27.81 8.34 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 116.012 1.856 . . . . 0.0 116.012 178.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.4 p -87.4 -38.5 16.11 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.507 1.523 . . . . 0.0 111.946 174.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.5 t -139.95 -176.67 4.67 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.779 1.632 . . . . 0.0 110.693 -176.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 77.5 mtm180 57.71 -80.34 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 126.892 2.077 . . . . 0.0 113.178 -174.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 56.8 p -45.72 -42.97 12.42 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 127.251 2.22 . . . . 0.0 114.453 176.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -71.38 -36.48 71.43 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 121.777 -0.577 . . . . 0.0 111.086 -178.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 54.8 mtm -73.66 -30.63 63.03 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 121.149 -0.969 . . . . 0.0 112.002 173.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.8 97.96 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.959 0.904 . . . . 0.0 111.563 171.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -62.81 -41.17 99.19 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 119.134 -0.46 . . . . 0.0 111.532 170.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.65 -47.91 68.35 Favored Glycine 0 N--CA 1.474 1.181 0 C-N-CA 125.007 1.289 . . . . 0.0 114.513 174.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -70.86 -44.72 65.8 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 118.801 1.301 . . . . 0.0 112.116 175.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.73 -38.84 90.26 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -177.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -67.84 -25.56 65.61 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 119.755 1.161 . . . . 0.0 113.155 178.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.3 m -86.07 -55.98 3.68 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.381 1.472 . . . . 0.0 112.757 175.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 71.4 mt -82.63 -22.43 34.71 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.342 1.457 . . . . 0.0 112.655 -172.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -102.1 8.76 55.94 Favored Glycine 0 CA--C 1.53 0.996 0 C-N-CA 126.609 2.052 . . . . 0.0 114.324 174.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.34 112.84 0.75 Allowed 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 119.728 1.764 . . . . 0.0 112.561 -179.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.21 -22.23 8.82 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 124.776 1.179 . . . . 0.0 114.34 -178.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 1' ' ' MET . 34.8 mtpt -75.7 -39.03 58.1 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.98 1.312 . . . . 0.0 111.019 169.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.4 pp -142.68 171.31 10.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 125.178 1.391 . . . . 0.0 112.326 -176.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -126.09 142.15 51.64 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.869 1.268 . . . . 0.0 108.633 168.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.08 148.39 27.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 N-CA-C 114.749 1.389 . . . . 0.0 114.749 -169.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.6 m -137.95 146.15 42.87 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.281 1.433 . . . . 0.0 109.963 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.2 t -115.13 136.37 53.19 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.745 1.218 . . . . 0.0 112.247 176.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 12.0 p -150.53 -177.94 6.26 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.471 1.108 . . . . 0.0 112.75 177.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -155.11 166.06 32.44 Favored Glycine 0 N--CA 1.465 0.602 0 O-C-N 120.401 -1.437 . . . . 0.0 112.388 171.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.54 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -67.57 -12.19 59.81 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 118.341 1.07 . . . . 0.0 113.256 174.083 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -136.91 166.75 22.9 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 127.876 2.47 . . . . 0.0 107.808 169.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.0 p -135.8 118.06 15.6 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.211 -0.93 . . . . 0.0 112.81 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.3 t -141.74 146.25 35.78 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 126.168 1.787 . . . . 0.0 110.107 169.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -31.43 140.93 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 129.472 3.109 . . . . 0.0 115.669 -174.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.6 t -54.86 130.58 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 172.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -65.42 123.79 85.35 Favored Pre-proline 0 C--O 1.234 0.256 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 178.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.76 -22.52 31.98 Favored 'Trans proline' 0 CA--C 1.54 0.797 0 CA-C-N 120.212 1.111 . . . . 0.0 112.014 -168.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 55.9 m -68.04 -27.71 66.76 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.065 -1.022 . . . . 0.0 111.842 171.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.62 98.99 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 120.431 -1.418 . . . . 0.0 111.83 173.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mp -56.21 -49.16 77.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 171.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.68 -36.44 82.9 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 -177.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 10.3 mmt -76.27 -29.65 57.52 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 123.938 0.895 . . . . 0.0 111.703 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 84.6 mmm -74.51 -30.59 61.86 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.163 0.892 . . . . 0.0 111.789 169.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -66.94 -25.28 66.27 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.739 -1.226 . . . . 0.0 112.905 174.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -62.61 -28.15 69.69 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 119.876 1.216 . . . . 0.0 112.835 174.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.0 m -102.13 10.28 8.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 125.632 1.573 . . . . 0.0 112.524 176.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.66 23.03 78.63 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.991 1.281 . . . . 0.0 115.424 176.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 71.1 mt -109.16 142.19 22.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 125.389 1.476 . . . . 0.0 110.055 -178.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -111.42 121.5 45.36 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.012 0.925 . . . . 0.0 112.892 -176.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.5 pt -126.28 23.32 3.16 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 C-N-CA 125.182 1.393 . . . . 0.0 111.885 169.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 95.9 p -78.16 -24.76 47.16 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 120.786 -1.196 . . . . 0.0 113.416 179.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -85.65 13.09 57.4 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 125.376 1.465 . . . . 0.0 115.281 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -127.62 163.38 24.35 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.221 1.511 . . . . 0.0 112.113 -178.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 37.1 p -137.27 170.39 16.16 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 127.375 2.27 . . . . 0.0 108.174 -169.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.1 p -85.14 147.18 26.75 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 177.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -143.38 145.44 32.02 Favored Pre-proline 0 CA--C 1.55 0.972 0 C-N-CA 124.024 0.929 . . . . 0.0 113.232 177.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -86.6 146.99 8.4 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 123.406 2.737 . . . . 0.0 113.446 -173.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.7 tt -54.88 -34.21 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 127.061 2.145 . . . . 0.0 111.849 177.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -59.25 -26.57 65.02 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.495 1.518 . . . . 0.0 114.081 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.51 -13.09 38.19 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 179.239 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -98.25 170.58 8.78 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.894 1.278 . . . . 0.0 113.519 -169.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -122.56 85.36 2.4 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.323 1.449 . . . . 0.0 112.188 -169.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.79 -35.09 42.74 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -178.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -55.87 -26.53 47.45 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.049 1.74 . . . . 0.0 114.488 -178.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -83.79 -31.6 25.81 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 175.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -79.33 108.45 12.86 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.566 0.746 . . . . 0.0 109.288 -172.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -51.2 -36.46 41.57 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.678 0.791 . . . . 0.0 111.291 174.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 38.6 t -133.56 138.5 50.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 C-N-CA 124.227 1.011 . . . . 0.0 111.235 -178.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 52.0 t -123.76 137.2 57.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.225 1.01 . . . . 0.0 110.518 173.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 29.7 mm -129.46 111.1 21.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 124.365 1.066 . . . . 0.0 110.942 -171.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.7 t -84.7 145.74 27.79 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.666 -0.646 . . . . 0.0 109.329 168.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.9 mp . . . . . 0 CA--C 1.541 0.632 0 C-N-CA 124.465 1.106 . . . . 0.0 111.003 169.972 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 81.1 t . . . . . 0 N--CA 1.477 0.918 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -142.45 156.8 45.21 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.739 2.416 . . . . 0.0 107.518 169.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 79.0 mt -118.59 67.83 7.64 Favored Pre-proline 0 N--CA 1.476 0.833 0 C-N-CA 124.675 1.19 . . . . 0.0 111.487 -176.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -59.37 -16.63 35.97 Favored 'Trans proline' 0 CA--C 1.556 1.597 0 N-CA-C 118.809 2.58 . . . . 0.0 118.809 -174.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -74.39 -159.46 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 CA-C-N 123.603 2.322 . . . . 0.0 114.4 175.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -53.06 -14.56 0.63 Allowed 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.772 1.629 . . . . 0.0 115.159 172.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -59.51 -17.03 28.5 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.08 1.752 . . . . 0.0 115.198 173.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 34.0 m -119.86 2.57 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 174.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 43.0 p -90.37 1.11 56.92 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.893 0.877 . . . . 0.0 112.988 176.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 70.6 mm-40 -74.36 176.07 7.08 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.184 0.994 . . . . 0.0 112.196 178.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -65.68 -37.49 86.64 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.67 -0.644 . . . . 0.0 112.706 -169.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 46.7 mt -136.67 136.13 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 123.96 0.904 . . . . 0.0 109.973 169.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -124.35 135.12 53.08 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.251 1.021 . . . . 0.0 109.623 169.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -129.33 156.48 43.96 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.096 0.958 . . . . 0.0 112.022 175.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -137.26 80.59 1.82 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.809 1.244 . . . . 0.0 109.668 178.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 29.2 m95 -82.68 79.84 8.96 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.74 0.781 . . . . 0.0 110.263 -178.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -64.52 127.7 32.62 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.31 0.644 . . . . 0.0 111.187 -176.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 76.6 mt -140.44 166.01 25.88 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 126.154 1.782 . . . . 0.0 110.15 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -71.77 167.14 20.56 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.121 0.968 . . . . 0.0 111.935 173.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -105.47 111.51 64.87 Favored Pre-proline 0 CA--C 1.547 0.857 0 C-N-CA 124.257 1.023 . . . . 0.0 111.795 -177.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -72.72 -11.76 26.17 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 123.131 2.554 . . . . 0.0 117.213 -172.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -56.85 115.13 2.4 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 119.414 1.006 . . . . 0.0 112.324 -178.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.0 13.99 80.57 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 123.982 0.801 . . . . 0.0 114.467 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -88.12 -96.49 0.09 Allowed 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 118.237 1.018 . . . . 0.0 110.833 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 64.7 p -161.08 164.19 30.94 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 126.343 1.857 . . . . 0.0 110.069 175.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 67.8 mt -63.35 -36.21 82.95 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 121.579 -0.701 . . . . 0.0 111.637 174.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -59.18 -38.74 80.54 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.788 -0.57 . . . . 0.0 112.12 172.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 68.6 t -71.09 -38.25 70.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 O-C-N 121.105 -0.997 . . . . 0.0 111.695 174.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -60.22 -46.83 88.41 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.701 1.137 . . . . 0.0 111.381 171.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -62.18 -38.79 90.44 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.46 1.104 . . . . 0.0 111.831 177.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 51.8 m -62.52 -38.81 91.39 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.512 1.125 . . . . 0.0 111.897 175.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 41.3 t -73.09 -48.35 44.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 O-C-N 121.441 -0.787 . . . . 0.0 111.155 173.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -51.97 -48.84 64.18 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 126.093 1.757 . . . . 0.0 112.273 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -62.56 -37.38 94.63 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 123.486 0.565 . . . . 0.0 113.422 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -74.71 -46.32 38.4 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.895 -0.767 . . . . 0.0 111.331 176.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 93.7 t -54.16 -42.3 55.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 O-C-N 121.098 -1.001 . . . . 0.0 111.64 173.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -59.17 -56.26 24.45 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.249 1.02 . . . . 0.0 111.528 173.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -63.97 -37.72 88.43 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 118.464 0.574 . . . . 0.0 112.099 -174.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -63.69 -42.37 98.0 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 118.895 0.77 . . . . 0.0 110.252 178.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 7.5 t -63.54 -48.17 88.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-O 117.823 -1.084 . . . . 0.0 113.134 171.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -60.39 -36.26 77.68 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 121.026 1.739 . . . . 0.0 112.366 178.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.34 -23.98 60.3 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 179.083 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 50.4 tp -84.89 -51.02 7.03 Favored 'General case' 0 C--O 1.225 -0.192 0 C-N-CA 125.089 1.356 . . . . 0.0 111.286 178.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.2 pt -61.1 -33.39 55.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 CA-C-N 119.26 0.937 . . . . 0.0 111.388 -176.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.56 -19.79 65.85 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 178.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -98.78 -33.5 10.88 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 174.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.255 2.0 pp -98.68 -1.82 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 N-CA-C 116.016 1.858 . . . . 0.0 116.016 -179.208 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 40.2 m . . . . . 0 C--O 1.256 1.419 0 CA-C-N 119.743 1.156 . . . . 0.0 112.538 174.274 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.0 ttm . . . . . 0 N--CA 1.493 1.68 0 N-CA-C 111.419 0.155 . . . . 0.0 111.419 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -128.53 163.65 24.51 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 126.131 1.772 . . . . 0.0 110.03 169.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.4 ' HB2' ' HE2' ' A' ' 3' ' ' LYS . 1.6 mppt? -108.93 141.4 41.06 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.223 1.009 . . . . 0.0 111.734 -174.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.7 t -120.71 137.79 53.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 123.993 0.917 . . . . 0.0 110.458 175.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 5.1 tpp -124.87 131.13 53.47 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 124.203 1.001 . . . . 0.0 110.439 176.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -105.79 124.58 49.8 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 125.003 1.321 . . . . 0.0 110.695 -176.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.432 HG21 HD12 ' A' ' 65' ' ' ILE . 2.4 t -104.88 131.42 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 125.86 1.664 . . . . 0.0 110.415 174.089 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 39.7 t -130.81 169.82 15.21 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.246 1.019 . . . . 0.0 109.326 169.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -62.79 -46.43 88.05 Favored 'General case' 0 N--CA 1.485 1.281 0 O-C-N 120.973 -1.079 . . . . 0.0 113.402 -169.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.317 0.1 OUTLIER -124.41 19.09 8.91 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 174.256 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 47.54 43.48 16.07 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 127.751 2.42 . . . . 0.0 115.45 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.2 p -98.14 -48.32 5.15 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 -169.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 14.5 p -134.28 -67.78 0.57 Allowed 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 -169.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 71.6 mtm180 -56.42 -47.62 78.67 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 124.432 1.093 . . . . 0.0 113.705 -169.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.9 p -69.86 -33.22 71.96 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.231 1.012 . . . . 0.0 112.584 176.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -70.74 -37.9 73.48 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 121.685 -0.634 . . . . 0.0 111.098 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 32.6 mtt -64.62 -37.02 86.14 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.152 0.981 . . . . 0.0 112.194 169.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.68 -44.72 85.36 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.875 -0.515 . . . . 0.0 111.229 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -60.87 -43.29 98.6 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 119.124 -0.465 . . . . 0.0 110.917 169.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.65 -44.97 69.11 Favored Glycine 0 N--CA 1.471 1.007 0 C-N-CA 124.598 1.094 . . . . 0.0 115.026 176.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -79.5 -42.85 24.3 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 118.775 1.287 . . . . 0.0 111.373 178.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.66 -39.77 94.27 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 119.259 0.936 . . . . 0.0 112.583 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -66.36 -23.85 66.41 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-N 119.328 0.967 . . . . 0.0 113.349 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.2 m -90.06 -50.53 5.96 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.73 1.612 . . . . 0.0 112.441 177.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 74.1 mt -84.03 -29.34 26.99 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.756 1.222 . . . . 0.0 112.348 -171.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -98.8 12.74 62.62 Favored Glycine 0 CA--C 1.532 1.094 0 C-N-CA 126.514 2.007 . . . . 0.0 114.303 173.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.74 113.57 1.03 Allowed 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.294 1.038 . . . . 0.0 113.15 -174.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.09 -7.78 76.48 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.207 0.908 . . . . 0.0 114.561 175.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -103.94 -28.58 11.48 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.225 1.41 . . . . 0.0 112.864 169.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -128.2 173.67 12.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 123.636 0.774 . . . . 0.0 112.906 170.424 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.74 141.95 47.74 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.52 1.128 . . . . 0.0 109.148 169.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.6 m -140.11 151.79 21.72 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 -169.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.1 m -141.29 149.33 41.12 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.079 1.351 . . . . 0.0 110.431 -177.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.2 t -116.83 137.9 51.88 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.912 1.685 . . . . 0.0 111.475 173.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 14.0 p -150.7 -177.73 6.16 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.308 1.443 . . . . 0.0 112.498 174.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -152.22 163.84 30.33 Favored Glycine 0 N--CA 1.466 0.649 0 O-C-N 119.897 -1.752 . . . . 0.0 113.266 171.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.574 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -64.75 -16.51 63.08 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 121.823 -0.81 . . . . 0.0 112.687 172.253 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -140.4 167.59 21.8 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 127.126 2.17 . . . . 0.0 107.819 168.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.3 m -152.76 138.64 18.04 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 120.968 -1.083 . . . . 0.0 112.198 -177.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.1 t -134.6 -74.29 0.47 Allowed 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 176.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.47 156.41 35.22 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.892 1.277 . . . . 0.0 111.996 171.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.0 t -60.49 132.08 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 169.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -65.9 124.0 86.44 Favored Pre-proline 0 CA--C 1.531 0.216 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 176.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -69.51 -24.94 30.28 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 CA-C-N 120.257 1.127 . . . . 0.0 111.861 -169.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.0 m -70.48 -28.38 64.94 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.35 -0.844 . . . . 0.0 111.943 172.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.54 -45.61 93.24 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 119.839 1.2 . . . . 0.0 111.51 173.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.1 mt -58.62 -45.97 90.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 123.479 0.711 . . . . 0.0 110.228 174.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.9 -38.02 86.78 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 178.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 21.5 mmt -73.55 -27.15 61.18 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 125.054 1.342 . . . . 0.0 112.57 178.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 83.6 mmm -78.02 -31.82 50.73 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.884 0.765 . . . . 0.0 111.281 169.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -67.1 -24.82 65.98 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.115 -0.99 . . . . 0.0 112.98 174.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -60.22 -31.56 70.28 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.714 1.143 . . . . 0.0 112.616 172.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 31.8 m -99.51 10.32 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 125.134 1.374 . . . . 0.0 112.62 177.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.2 20.74 79.28 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 124.845 1.212 . . . . 0.0 114.929 177.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 64.4 mt -105.19 140.08 24.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 125.27 1.428 . . . . 0.0 109.714 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -109.56 125.8 52.91 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.356 0.662 . . . . 0.0 112.169 179.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.1 pt -121.1 13.11 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 125.179 1.391 . . . . 0.0 112.542 169.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.4 m -63.35 -26.8 68.92 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 120.423 -1.423 . . . . 0.0 113.457 -175.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -78.9 0.42 78.38 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 124.917 1.246 . . . . 0.0 114.932 175.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -88.47 166.15 14.41 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.415 1.607 . . . . 0.0 110.78 175.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.7 p -146.5 157.63 43.77 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 128.582 2.753 . . . . 0.0 105.455 -174.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 49.1 m -80.07 129.33 34.41 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 119.48 -0.888 . . . . 0.0 109.709 169.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -137.4 136.92 21.1 Favored Pre-proline 0 CA--C 1.544 0.727 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -178.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -80.5 143.86 15.55 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.837 2.358 . . . . 0.0 113.541 -170.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.432 HD12 HG21 ' A' ' 7' ' ' VAL . 9.6 tt -54.23 -35.53 30.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 126.485 1.914 . . . . 0.0 111.582 176.347 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -59.25 -24.13 62.93 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.23 1.412 . . . . 0.0 114.296 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.4 -14.48 35.4 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 178.213 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -99.7 174.99 5.97 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.585 1.154 . . . . 0.0 113.692 -170.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -116.38 94.19 4.53 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.18 1.792 . . . . 0.0 112.003 -172.404 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.9 -36.48 49.0 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.546 -0.721 . . . . 0.0 112.516 175.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -57.53 -30.65 65.34 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.313 1.845 . . . . 0.0 114.549 -175.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -85.35 -28.76 25.0 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 178.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -81.6 94.68 6.97 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.504 0.722 . . . . 0.0 109.959 -175.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -48.02 -34.87 10.07 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.014 1.325 . . . . 0.0 112.15 178.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 40.6 t -127.12 138.34 55.13 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 C-N-CA 124.15 0.98 . . . . 0.0 111.134 173.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 76.0 t -122.25 138.39 52.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.848 0.859 . . . . 0.0 109.972 169.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 27.7 mm -126.16 130.74 72.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 C-N-CA 124.282 1.033 . . . . 0.0 109.428 -178.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.4 t -97.65 137.16 36.97 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 118.762 0.71 . . . . 0.0 110.571 169.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.6 mp . . . . . 0 CA--C 1.537 0.477 0 C-N-CA 126.027 1.731 . . . . 0.0 109.611 177.625 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 55.5 t . . . . . 0 N--CA 1.482 1.133 0 CA-C-O 120.337 0.113 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 62.1 m-80 -132.32 1.77 3.82 Favored 'General case' 0 CA--C 1.554 1.101 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 177.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 71.1 mt 42.27 66.95 3.69 Favored Pre-proline 0 CA--C 1.556 1.19 0 C-N-CA 126.347 1.859 . . . . 0.0 114.786 -177.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -50.98 -29.37 27.13 Favored 'Trans proline' 0 CA--C 1.555 1.549 0 C-N-CA 123.322 2.681 . . . . 0.0 118.965 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -75.6 -160.89 0.11 Allowed 'Trans proline' 0 CA--C 1.546 1.092 0 C-N-CA 122.726 2.284 . . . . 0.0 115.143 -176.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -57.72 -9.46 1.23 Allowed 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.618 1.567 . . . . 0.0 115.001 174.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -61.4 -14.95 31.96 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.671 1.588 . . . . 0.0 115.075 172.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.6 m -116.1 0.92 8.32 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 124.535 1.134 . . . . 0.0 113.97 173.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 43.0 p -94.01 4.6 53.67 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.435 1.094 . . . . 0.0 113.378 178.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -75.28 179.14 5.32 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.956 1.302 . . . . 0.0 111.824 177.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -64.56 -37.91 89.2 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 121.444 -0.785 . . . . 0.0 112.622 -170.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 27.0 mt -137.67 137.85 44.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 123.719 0.808 . . . . 0.0 110.457 169.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -128.49 135.45 49.46 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.167 0.987 . . . . 0.0 109.39 168.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -135.78 153.64 51.47 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.083 0.953 . . . . 0.0 111.41 174.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -123.21 116.19 22.98 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.945 0.898 . . . . 0.0 111.576 172.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 41.8 m0 -106.46 83.57 1.89 Allowed 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 126.368 1.867 . . . . 0.0 109.348 -175.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -79.27 74.94 5.84 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.147 0.979 . . . . 0.0 111.467 -174.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 84.9 mt -86.74 161.66 18.28 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.666 1.186 . . . . 0.0 109.625 172.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -69.14 160.79 30.43 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.646 0.736 . . . . 0.0 110.938 173.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.433 ' HA ' ' HD3' ' A' ' 104' ' ' PRO . 11.6 t70 -102.54 113.52 65.84 Favored Pre-proline 0 CA--C 1.547 0.864 0 CA-C-O 118.861 -0.59 . . . . 0.0 111.854 -175.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 103' ' ' ASP . 51.5 Cg_exo -73.51 -8.13 21.24 Favored 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 123.027 2.485 . . . . 0.0 116.957 -171.237 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -57.46 112.16 1.33 Allowed 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.292 0.951 . . . . 0.0 112.143 -178.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.44 14.85 80.64 Favored Glycine 0 CA--C 1.538 1.479 0 CA-C-O 119.044 -0.864 . . . . 0.0 114.556 -178.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -88.41 -95.68 0.09 Allowed 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 118.653 1.227 . . . . 0.0 110.803 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 59.4 p -160.16 164.29 33.01 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 126.445 1.898 . . . . 0.0 110.119 174.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 51.8 mt -64.85 -34.3 78.06 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.675 -0.641 . . . . 0.0 111.744 175.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -61.29 -38.6 87.36 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.328 0.651 . . . . 0.0 112.18 171.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 65.4 t -70.04 -39.27 77.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 O-C-N 121.153 -0.967 . . . . 0.0 111.591 173.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -58.48 -48.46 80.69 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.634 1.107 . . . . 0.0 111.43 171.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 63.8 mtp85 -60.18 -39.1 85.3 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.959 1.304 . . . . 0.0 112.035 177.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 62.0 m -64.05 -37.76 88.62 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.714 1.206 . . . . 0.0 112.189 176.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 53.4 t -78.95 -44.0 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 123.808 0.843 . . . . 0.0 111.402 176.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -50.81 -48.96 59.57 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 126.511 1.924 . . . . 0.0 112.404 179.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -63.26 -36.45 93.43 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 123.642 0.639 . . . . 0.0 113.315 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -75.21 -39.2 60.3 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 117.868 0.834 . . . . 0.0 112.159 177.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 94.9 t -58.28 -47.96 86.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 O-C-N 121.407 -0.808 . . . . 0.0 110.531 169.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.411 ' HA ' HG22 ' A' ' 123' ' ' VAL . 78.0 tttt -57.28 -53.91 52.78 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.581 1.152 . . . . 0.0 111.871 175.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -61.37 -35.38 77.31 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.739 1.154 . . . . 0.0 111.968 -178.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 36.9 mtt180 -70.82 -41.66 71.25 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 116.998 -1.477 . . . . 0.0 112.996 175.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.411 HG22 ' HA ' ' A' ' 120' ' ' LYS . 30.8 m -63.8 -39.74 86.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-N 121.296 1.862 . . . . 0.0 113.1 171.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -62.6 -41.83 99.21 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 120.085 1.311 . . . . 0.0 111.811 175.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -31.76 72.4 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 177.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 54.4 tp -76.13 -48.99 18.57 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.821 0.848 . . . . 0.0 112.15 179.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 10.3 pt -63.17 -29.58 47.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-N 119.501 1.046 . . . . 0.0 112.555 -176.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.45 -20.04 63.77 Favored 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 174.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -86.74 -44.79 11.51 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.804 1.242 . . . . 0.0 112.892 173.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.293 1.4 pp -101.46 -0.3 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 N-CA-C 116.637 2.088 . . . . 0.0 116.637 -169.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 63.7 p . . . . . 0 C--O 1.255 1.348 0 CA-C-N 120.101 1.319 . . . . 0.0 113.732 175.111 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.457 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 17.6 ttt . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 119.652 -0.213 . . . . 0.0 111.328 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -130.55 166.2 21.1 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 125.5 1.52 . . . . 0.0 111.612 173.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -104.4 139.52 39.23 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.746 1.218 . . . . 0.0 111.239 -177.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.6 t -125.63 141.66 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 124.476 1.11 . . . . 0.0 110.23 179.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 7.1 tpp -134.61 134.61 41.42 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.878 0.871 . . . . 0.0 110.459 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -110.16 119.59 39.74 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.525 1.13 . . . . 0.0 111.667 -174.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.7 t -96.08 138.18 22.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 126.423 1.889 . . . . 0.0 111.157 173.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.3 t -136.45 173.58 11.55 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.874 1.669 . . . . 0.0 108.481 169.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.83 -45.74 73.8 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.217 -1.552 . . . . 0.0 112.169 -174.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.271 0.2 OUTLIER -125.73 10.54 7.76 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 116.707 2.114 . . . . 0.0 116.707 177.103 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.269 9.2 t-20 46.68 32.39 1.7 Allowed 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 128.861 2.864 . . . . 0.0 115.999 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.3 p -86.04 -40.18 16.05 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.566 1.546 . . . . 0.0 112.681 175.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.2 p -138.6 175.6 9.42 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 126.964 2.106 . . . . 0.0 110.835 -170.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.2 mtm-85 55.46 -78.35 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 126.909 2.084 . . . . 0.0 113.953 -171.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.8 p -48.38 -40.31 25.26 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 126.772 2.029 . . . . 0.0 114.499 179.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -67.46 -38.93 85.19 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.519 0.728 . . . . 0.0 111.742 176.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.3 mtp -72.84 -33.55 66.23 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.747 1.219 . . . . 0.0 111.459 176.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.47 -44.45 96.36 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.907 0.883 . . . . 0.0 111.517 171.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.49 -41.13 93.65 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.476 0.71 . . . . 0.0 111.858 170.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.91 -49.88 73.57 Favored Glycine 0 N--CA 1.471 0.987 0 C-N-CA 124.269 0.937 . . . . 0.0 114.431 173.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -67.64 -44.25 78.4 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.965 1.382 . . . . 0.0 111.661 176.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.69 -39.27 88.02 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.018 0.748 . . . . 0.0 113.018 -176.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.5 pttt -67.82 -26.7 66.19 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 119.974 1.261 . . . . 0.0 113.225 178.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.9 m -84.42 -55.81 3.96 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.294 1.438 . . . . 0.0 112.533 177.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 72.0 mt -81.74 -26.56 34.43 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.314 1.446 . . . . 0.0 112.328 -174.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -99.62 9.3 60.46 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 126.43 1.967 . . . . 0.0 114.553 176.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.92 113.73 0.85 Allowed 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 119.919 1.859 . . . . 0.0 112.651 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.86 -20.81 5.17 Favored Glycine 0 CA--C 1.539 1.592 0 C-N-CA 125.212 1.387 . . . . 0.0 115.087 -177.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.457 ' O ' ' HA ' ' A' ' 1' ' ' MET . 33.4 mtpt -74.94 -37.68 61.94 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.276 1.43 . . . . 0.0 110.374 169.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.5 pp -143.81 172.17 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 125.624 1.57 . . . . 0.0 113.3 177.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -125.51 142.42 51.51 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.457 1.503 . . . . 0.0 108.033 168.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.38 154.19 29.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 N-CA-C 115.601 1.704 . . . . 0.0 115.601 -169.118 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.7 m -146.87 155.22 42.15 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.34 1.856 . . . . 0.0 109.225 176.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 77.6 p -127.47 150.32 49.71 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 120.628 -1.295 . . . . 0.0 111.657 169.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 17.2 p -153.28 -177.35 6.27 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.331 1.452 . . . . 0.0 110.532 -179.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -152.5 167.18 31.39 Favored Glycine 0 C--O 1.223 -0.537 0 O-C-N 120.518 -1.364 . . . . 0.0 112.295 170.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.499 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -64.7 -14.83 60.1 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 118.884 1.342 . . . . 0.0 112.617 173.754 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -139.54 167.76 21.35 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 127.208 2.203 . . . . 0.0 109.183 169.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.9 p -120.95 152.51 38.43 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.356 1.462 . . . . 0.0 110.555 169.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.3 p -135.03 -84.37 0.41 Allowed 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.217 1.007 . . . . 0.0 111.847 174.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -158.75 146.42 17.87 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 128.253 2.621 . . . . 0.0 109.012 175.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.406 ' CG1' HD11 ' A' ' 47' ' ' ILE . 0.5 OUTLIER -61.98 132.9 27.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 CA-C-N 119.639 1.108 . . . . 0.0 109.475 169.76 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -74.41 127.96 86.7 Favored Pre-proline 0 CA--C 1.536 0.414 0 CA-C-O 118.982 -0.533 . . . . 0.0 110.95 -173.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -72.84 -26.39 15.76 Favored 'Trans proline' 0 CA--C 1.538 0.679 0 CA-C-N 120.311 1.147 . . . . 0.0 112.37 -170.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.1 m -76.86 -27.84 55.2 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 121.364 -0.835 . . . . 0.0 111.45 175.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.19 -47.54 81.0 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 120.912 -1.118 . . . . 0.0 111.784 170.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.406 HD11 ' CG1' ' A' ' 42' ' ' VAL . 6.5 mt -56.89 -47.14 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 123.508 0.723 . . . . 0.0 110.238 175.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.52 -38.39 84.24 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 112.743 0.645 . . . . 0.0 112.743 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 8.7 mmt -77.69 -26.88 50.57 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.321 1.048 . . . . 0.0 112.15 -179.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 84.2 mmm -77.77 -29.74 51.09 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 118.918 0.781 . . . . 0.0 111.484 169.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -68.23 -23.48 64.81 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.033 -1.042 . . . . 0.0 112.888 175.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -61.33 -28.8 69.47 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 119.979 1.263 . . . . 0.0 112.933 173.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.1 p -103.95 10.02 8.94 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 C-N-CA 126.413 1.885 . . . . 0.0 111.647 178.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.14 18.7 79.79 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 124.841 1.21 . . . . 0.0 115.097 174.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 69.7 mt -103.64 132.0 50.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.989 1.316 . . . . 0.0 109.962 -177.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -98.8 124.79 43.9 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.94 0.896 . . . . 0.0 111.522 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.2 pt -125.23 25.13 3.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.135 0.974 . . . . 0.0 111.695 169.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.7 m -77.41 -29.25 52.99 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.563 1.145 . . . . 0.0 112.475 178.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -80.78 11.41 40.86 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 125.475 1.512 . . . . 0.0 115.332 178.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -134.26 153.49 51.83 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.071 1.748 . . . . 0.0 109.829 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.7 t -147.36 -176.33 5.19 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 124.134 0.974 . . . . 0.0 110.452 179.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.0 p -84.35 132.84 34.56 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 -169.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -140.08 147.09 49.2 Favored Pre-proline 0 CA--C 1.55 0.978 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 -177.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -87.49 146.4 7.2 Favored 'Trans proline' 0 CA--C 1.544 0.983 0 C-N-CA 123.634 2.889 . . . . 0.0 114.366 -170.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.9 tt -57.05 -36.1 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 127.536 2.334 . . . . 0.0 112.263 -177.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -69.73 -11.13 60.61 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.803 1.408 . . . . 0.0 114.803 -177.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -92.99 -12.31 31.02 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 170.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -99.64 174.03 6.43 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.13 1.372 . . . . 0.0 113.51 -170.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -124.49 86.27 2.54 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.342 1.457 . . . . 0.0 112.969 -169.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.33 -33.2 41.61 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -178.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -57.02 -27.37 61.56 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.291 1.436 . . . . 0.0 114.155 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -96.15 2.78 53.4 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 177.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -107.91 97.76 7.43 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.055 0.942 . . . . 0.0 108.576 176.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -51.75 -35.44 43.45 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.404 0.681 . . . . 0.0 111.787 178.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 47.4 t -124.49 138.25 54.6 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 C-N-CA 124.522 1.129 . . . . 0.0 110.648 173.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 44.8 t -121.51 137.55 54.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 123.987 0.915 . . . . 0.0 109.827 169.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 27.4 mm -122.23 131.17 73.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 C-N-CA 124.475 1.11 . . . . 0.0 109.643 -178.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.0 m -97.18 139.38 33.24 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.282 0.633 . . . . 0.0 109.842 168.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.4 mp . . . . . 0 N--CA 1.467 0.389 0 C-N-CA 125.56 1.544 . . . . 0.0 109.118 176.813 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 60.2 t . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 119.458 -0.306 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -136.8 -3.29 2.06 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 116.381 1.993 . . . . 0.0 116.381 -175.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.9 mt 44.36 66.62 4.76 Favored Pre-proline 0 CA--C 1.555 1.166 0 C-N-CA 125.951 1.7 . . . . 0.0 114.979 -178.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -50.82 -29.3 25.96 Favored 'Trans proline' 0 CA--C 1.554 1.513 0 C-N-CA 123.496 2.797 . . . . 0.0 119.151 178.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -76.84 -160.33 0.11 Allowed 'Trans proline' 0 CA--C 1.548 1.2 0 C-N-CA 122.662 2.241 . . . . 0.0 114.926 -176.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -54.16 -11.34 0.46 Allowed 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 126.324 1.85 . . . . 0.0 115.3 173.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 88.1 m95 -60.5 -16.69 39.48 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.681 1.592 . . . . 0.0 114.839 173.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 32.9 m -117.31 3.21 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 174.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 43.3 p -94.21 4.03 54.44 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.334 1.054 . . . . 0.0 112.931 177.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 75.5 mm-40 -75.74 177.3 6.98 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.612 1.165 . . . . 0.0 111.817 177.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -65.44 -38.74 90.77 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 121.209 -0.932 . . . . 0.0 112.798 -169.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 41.6 mt -134.34 139.38 48.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 124.196 0.998 . . . . 0.0 110.308 170.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -130.18 131.22 45.51 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.454 1.102 . . . . 0.0 109.513 168.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -133.45 153.49 51.57 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.805 1.242 . . . . 0.0 111.204 176.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -127.4 101.32 6.4 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.146 0.979 . . . . 0.0 111.241 -178.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 35.5 m0 -95.08 86.4 4.59 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.923 1.689 . . . . 0.0 111.036 -174.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -77.01 117.1 18.26 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.624 0.77 . . . . 0.0 110.584 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 65.0 mt -138.59 170.29 16.26 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.748 2.019 . . . . 0.0 111.206 -178.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -62.41 172.25 1.61 Allowed 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 122.968 1.366 . . . . 0.0 113.327 175.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -119.62 92.92 46.89 Favored Pre-proline 0 CA--C 1.542 0.637 0 C-N-CA 125.664 1.586 . . . . 0.0 110.971 -175.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -70.7 -15.13 33.57 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 123.434 2.756 . . . . 0.0 116.371 -170.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -57.32 100.15 0.05 OUTLIER 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.948 1.699 . . . . 0.0 111.738 -177.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 87.16 13.62 65.79 Favored Glycine 0 CA--C 1.54 1.622 0 N-CA-C 115.578 0.991 . . . . 0.0 115.578 -176.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -90.26 -104.38 0.1 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.944 1.297 . . . . 0.0 111.557 179.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 60.6 p -155.05 164.78 38.4 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 126.727 2.011 . . . . 0.0 110.531 179.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 53.8 mt -63.48 -36.92 85.36 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 121.689 -0.632 . . . . 0.0 111.858 176.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -60.18 -39.09 85.22 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.39 0.676 . . . . 0.0 112.096 173.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 73.2 t -71.72 -37.61 63.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 O-C-N 121.258 -0.901 . . . . 0.0 111.538 174.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -60.43 -47.74 84.79 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 119.714 1.143 . . . . 0.0 111.43 171.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -61.78 -37.73 85.43 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.387 1.075 . . . . 0.0 111.932 177.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 52.6 m -63.0 -42.25 99.8 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 124.245 1.018 . . . . 0.0 112.066 176.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 60.1 t -71.58 -46.39 63.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 123.608 0.763 . . . . 0.0 112.068 172.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -53.1 -46.52 68.73 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 126.155 1.782 . . . . 0.0 112.359 -177.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -62.04 -36.68 93.25 Favored Glycine 0 N--CA 1.475 1.272 0 C-N-CA 123.128 0.394 . . . . 0.0 113.19 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -77.58 -43.92 30.16 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 121.9 -0.765 . . . . 0.0 111.517 177.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 57.5 t -56.13 -43.3 75.56 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 CA-C-N 119.39 0.995 . . . . 0.0 111.433 171.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -58.27 -56.71 18.57 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.0 0.92 . . . . 0.0 111.328 174.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -34.21 77.67 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 118.219 -0.896 . . . . 0.0 112.211 -175.51 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -61.86 -43.47 98.78 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 119.351 0.978 . . . . 0.0 110.784 174.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 20.3 t -61.6 -48.52 88.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 CA-C-O 118.399 -0.81 . . . . 0.0 113.07 170.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -60.38 -35.63 76.19 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 120.34 1.427 . . . . 0.0 112.705 178.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.74 -28.87 62.89 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 176.521 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 58.2 tp -76.88 -46.02 26.05 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.909 0.884 . . . . 0.0 112.514 176.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 7.9 pt -63.93 -26.01 39.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 CA-C-N 119.936 1.244 . . . . 0.0 112.659 179.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.8 -27.45 68.89 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 171.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 62.2 mtpt -86.12 -37.19 19.05 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.589 1.556 . . . . 0.0 113.01 -177.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.275 1.8 pp -120.18 6.27 6.43 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 N-CA-C 117.041 2.237 . . . . 0.0 117.041 -170.062 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 42.6 t . . . . . 0 C--O 1.255 1.353 0 CA-C-N 119.922 1.237 . . . . 0.0 111.26 169.517 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.461 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 16.7 ttt . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 119.535 -0.269 . . . . 0.0 111.197 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -130.47 161.62 31.02 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 125.599 1.56 . . . . 0.0 111.88 175.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -102.84 139.42 38.44 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.92 1.288 . . . . 0.0 111.237 -176.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.9 t -123.64 140.96 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.945 1.298 . . . . 0.0 110.187 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.6 tpp -135.0 132.66 38.58 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 123.66 0.784 . . . . 0.0 110.199 178.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -104.03 135.72 45.01 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.289 1.036 . . . . 0.0 111.194 -178.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.3 t -115.5 128.86 72.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 126.613 1.965 . . . . 0.0 109.61 171.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.4 t -128.51 177.57 6.91 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.841 1.257 . . . . 0.0 109.695 169.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.71 -48.09 41.73 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.43 -1.419 . . . . 0.0 112.784 -172.339 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.309 0.2 OUTLIER -120.1 11.86 11.76 Favored 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 115.929 1.825 . . . . 0.0 115.929 175.302 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 53.29 36.89 23.93 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 126.847 2.059 . . . . 0.0 114.683 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.0 p -93.83 -45.23 7.74 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 -172.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.2 p -130.74 -71.9 0.57 Allowed 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 114.536 1.309 . . . . 0.0 114.536 -169.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 96.3 mtm-85 -58.03 -48.06 81.2 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -169.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.0 p -66.37 -34.8 78.77 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.454 0.701 . . . . 0.0 112.315 176.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -71.57 -39.66 70.45 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.096 0.958 . . . . 0.0 111.427 -179.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 54.9 mtp -74.18 -31.93 62.87 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.624 1.569 . . . . 0.0 111.556 175.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.89 -42.53 97.44 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.689 0.796 . . . . 0.0 111.713 172.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -61.56 -39.28 90.54 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 118.859 -0.591 . . . . 0.0 110.832 169.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.78 -49.01 59.92 Favored Glycine 0 N--CA 1.474 1.221 0 C-N-CA 124.685 1.136 . . . . 0.0 114.515 173.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -72.93 -43.45 62.37 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 120.856 -1.379 . . . . 0.0 112.269 175.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.3 -36.82 82.31 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -176.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.6 ptmm? -65.73 -28.01 68.73 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-N 119.773 1.169 . . . . 0.0 113.027 177.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.9 m -89.47 -54.13 4.22 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.281 1.432 . . . . 0.0 112.376 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.7 mt -83.94 -24.67 30.59 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.254 1.421 . . . . 0.0 112.245 -173.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -99.2 5.46 59.17 Favored Glycine 0 CA--C 1.526 0.777 0 C-N-CA 126.237 1.875 . . . . 0.0 114.532 176.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.81 113.07 0.76 Allowed 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 120.009 1.905 . . . . 0.0 112.716 -177.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.66 -21.89 7.09 Favored Glycine 0 CA--C 1.538 1.513 0 C-N-CA 124.898 1.237 . . . . 0.0 114.774 -178.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 1' ' ' MET . 30.0 mtpt -75.95 -38.69 57.31 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.945 1.298 . . . . 0.0 110.645 169.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.4 pp -142.75 170.93 10.62 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 125.436 1.494 . . . . 0.0 112.707 -179.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -125.99 146.5 49.85 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.096 1.358 . . . . 0.0 108.507 168.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.81 149.78 25.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 N-CA-C 115.838 1.792 . . . . 0.0 115.838 -169.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.9 m -138.95 149.42 44.74 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.739 1.616 . . . . 0.0 109.757 174.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.3 t -118.63 137.38 53.32 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.61 1.564 . . . . 0.0 111.596 174.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 14.3 p -150.28 -177.81 6.15 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.308 1.443 . . . . 0.0 112.231 176.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -151.56 167.95 30.95 Favored Glycine 0 N--CA 1.467 0.766 0 O-C-N 120.403 -1.436 . . . . 0.0 112.436 169.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.498 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -63.99 -17.45 63.32 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 118.487 1.143 . . . . 0.0 112.318 172.137 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -140.07 162.17 35.87 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.963 2.105 . . . . 0.0 108.222 168.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.9 p -144.68 138.59 27.41 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.494 1.118 . . . . 0.0 111.726 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.1 t -133.93 -71.4 0.5 Allowed 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 173.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.36 159.35 38.68 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.904 1.282 . . . . 0.0 112.034 173.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.9 t -65.93 136.79 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 169.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 34.7 t-80 -65.1 122.6 80.58 Favored Pre-proline 0 CA--C 1.531 0.239 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 173.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -69.06 -23.57 33.82 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 CA-C-N 120.711 1.29 . . . . 0.0 112.17 -169.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.5 m -68.97 -25.69 64.66 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.19 -0.943 . . . . 0.0 112.29 172.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.57 -40.47 96.96 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 120.482 -1.386 . . . . 0.0 111.851 173.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -57.12 -46.06 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 173.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.25 -39.54 89.58 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.757 -0.59 . . . . 0.0 112.516 -178.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 7.6 mmt -74.92 -29.35 60.94 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.805 0.842 . . . . 0.0 112.17 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 81.1 mmm -76.22 -32.37 58.9 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 118.881 0.764 . . . . 0.0 111.335 169.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -67.83 -21.15 65.22 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 175.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -62.92 -25.65 68.43 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 120.099 1.318 . . . . 0.0 112.007 169.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.8 t -89.4 -5.8 10.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 126.11 1.764 . . . . 0.0 111.574 174.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.9 17.44 76.94 Favored Glycine 0 CA--C 1.542 1.73 0 O-C-N 120.988 -1.07 . . . . 0.0 113.41 -169.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.5 mt -95.71 126.95 48.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 124.888 1.275 . . . . 0.0 109.545 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -96.89 124.29 40.83 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.148 0.579 . . . . 0.0 112.006 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 9.5 pt -123.11 9.52 5.32 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 C-N-CA 125.25 1.42 . . . . 0.0 112.832 169.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 93.7 p -66.18 -19.26 65.78 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 120.461 -1.4 . . . . 0.0 114.431 -172.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.73 -1.07 76.56 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 124.828 1.204 . . . . 0.0 115.189 172.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -80.08 154.19 28.26 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.609 1.705 . . . . 0.0 111.87 178.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 23.9 p -145.32 142.94 29.87 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 128.232 2.613 . . . . 0.0 105.697 169.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 38.4 m -79.44 147.42 32.31 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 121.291 -0.881 . . . . 0.0 113.127 -169.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -145.83 150.47 42.96 Favored Pre-proline 0 N--CA 1.479 0.977 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -175.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -91.66 148.63 3.39 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 123.406 2.737 . . . . 0.0 113.42 -170.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.1 tt -54.2 -35.31 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 126.676 1.99 . . . . 0.0 111.975 177.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -60.34 -24.5 65.09 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.079 1.352 . . . . 0.0 114.129 -178.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -91.2 -12.77 34.34 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 178.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -96.74 169.55 9.79 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.809 1.244 . . . . 0.0 114.048 -169.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -118.47 86.34 2.52 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.205 1.402 . . . . 0.0 112.703 -169.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.27 -34.24 22.63 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -178.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -60.64 -23.73 64.99 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.165 1.386 . . . . 0.0 114.471 -176.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -99.15 3.24 46.47 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.937 0.895 . . . . 0.0 113.189 178.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -106.09 99.28 8.88 Favored 'General case' 0 N--CA 1.464 0.233 0 O-C-N 121.221 -0.924 . . . . 0.0 108.582 176.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -53.03 -35.63 59.67 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.233 0.613 . . . . 0.0 111.694 177.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 43.3 t -125.33 138.26 54.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 C-N-CA 124.345 1.058 . . . . 0.0 110.979 175.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 52.1 t -121.67 139.69 47.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.298 1.039 . . . . 0.0 110.301 170.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 23.9 mm -126.93 130.35 71.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 C-N-CA 124.383 1.073 . . . . 0.0 110.582 -174.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 37.8 t -100.45 136.99 39.47 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.714 0.806 . . . . 0.0 112.294 169.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 N--CA 1.472 0.643 0 C-N-CA 126.098 1.759 . . . . 0.0 109.607 177.393 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 97.0 t . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -130.28 -5.73 4.31 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 115.264 1.579 . . . . 0.0 115.264 -174.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 61.5 mt 43.06 66.15 4.74 Favored Pre-proline 0 N--CA 1.482 1.162 0 C-N-CA 126.217 1.807 . . . . 0.0 114.983 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -50.66 -28.75 23.34 Favored 'Trans proline' 0 CA--C 1.556 1.577 0 C-N-CA 123.634 2.889 . . . . 0.0 119.245 178.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -76.61 -160.22 0.11 Allowed 'Trans proline' 0 CA--C 1.548 1.201 0 C-N-CA 122.72 2.28 . . . . 0.0 114.627 -176.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -58.35 -9.55 1.61 Allowed 'General case' 0 N--CA 1.478 0.963 0 O-C-N 120.253 -1.529 . . . . 0.0 114.857 175.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -58.72 -16.4 16.39 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.993 1.717 . . . . 0.0 114.878 172.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.9 m -117.95 2.58 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 124.425 1.09 . . . . 0.0 113.934 173.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 35.5 p -95.34 3.55 54.31 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.397 1.079 . . . . 0.0 113.193 177.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 75.5 mm-40 -73.94 177.76 5.39 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.53 1.132 . . . . 0.0 111.863 175.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -64.21 -38.75 92.18 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.39 -0.819 . . . . 0.0 112.719 -170.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 20.2 mt -137.2 136.57 47.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 123.729 0.811 . . . . 0.0 110.475 171.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -123.38 131.15 53.56 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.111 0.964 . . . . 0.0 108.489 168.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -128.47 153.0 47.6 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.72 0.808 . . . . 0.0 111.266 174.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -130.58 122.53 27.69 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.332 0.653 . . . . 0.0 110.739 169.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 12.8 m95 -119.68 102.95 8.97 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.123 0.969 . . . . 0.0 108.99 -178.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 -91.21 115.09 27.75 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.495 0.718 . . . . 0.0 109.922 -170.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 81.7 mt -126.8 173.37 9.6 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.94 1.696 . . . . 0.0 112.241 -172.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 23.8 mp0 -64.87 166.69 8.7 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.051 1.74 . . . . 0.0 111.654 175.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -117.45 98.79 52.17 Favored Pre-proline 0 CA--C 1.543 0.684 0 C-N-CA 124.837 1.255 . . . . 0.0 111.23 -178.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -72.85 -14.27 26.7 Favored 'Trans proline' 0 C--N 1.356 0.967 0 C-N-CA 123.508 2.805 . . . . 0.0 116.247 -171.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -57.72 106.45 0.35 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.868 1.267 . . . . 0.0 111.807 -176.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 81.9 14.88 76.53 Favored Glycine 0 CA--C 1.54 1.595 0 C-N-CA 124.361 0.981 . . . . 0.0 114.95 -177.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -92.03 -101.75 0.12 Allowed 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.661 1.184 . . . . 0.0 111.354 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 66.8 p -157.68 164.52 37.08 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 126.264 1.825 . . . . 0.0 110.303 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 77.3 mt -62.72 -37.39 86.36 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.615 -0.678 . . . . 0.0 111.937 176.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -58.55 -38.06 77.02 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 121.621 -0.674 . . . . 0.0 112.512 172.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 77.8 t -73.19 -36.01 48.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 O-C-N 121.119 -0.988 . . . . 0.0 112.08 174.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -61.4 -46.03 91.84 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.574 1.079 . . . . 0.0 111.302 170.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 -62.37 -37.73 86.86 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.469 1.108 . . . . 0.0 111.869 176.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 53.3 m -61.84 -43.05 99.63 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.289 1.036 . . . . 0.0 111.922 174.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.14 -45.97 74.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 O-C-N 121.122 -0.986 . . . . 0.0 111.629 173.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 57.5 ttp180 -50.98 -49.08 60.96 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.746 1.618 . . . . 0.0 112.083 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -61.49 -37.33 93.96 Favored Glycine 0 CA--C 1.532 1.153 0 C-N-CA 123.652 0.644 . . . . 0.0 113.076 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -75.51 -48.54 22.11 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 117.724 0.762 . . . . 0.0 111.342 177.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 79.7 t -53.61 -42.84 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 O-C-N 120.876 -1.14 . . . . 0.0 111.122 174.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -57.54 -55.69 31.62 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.156 0.982 . . . . 0.0 111.489 172.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -65.74 -35.28 80.28 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -174.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -64.77 -43.66 92.54 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.51 1.05 . . . . 0.0 110.85 175.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 13.8 t -61.41 -48.99 86.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 CA-C-O 117.814 -1.089 . . . . 0.0 113.1 171.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -59.75 -35.91 75.54 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 120.835 1.652 . . . . 0.0 112.458 179.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.34 -25.46 60.62 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 178.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 43.2 tp -83.37 -47.45 11.43 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.026 1.33 . . . . 0.0 111.893 178.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 7.9 pt -64.07 -28.82 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 CA-C-N 119.23 0.923 . . . . 0.0 112.652 -176.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.94 -20.15 64.2 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 175.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -85.22 -36.94 20.65 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.561 1.145 . . . . 0.0 113.024 174.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.2 pt -108.4 1.71 9.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 N-CA-C 116.286 1.958 . . . . 0.0 116.286 -169.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 54.0 p . . . . . 0 C--O 1.256 1.42 0 C-N-CA 124.339 1.056 . . . . 0.0 113.413 173.596 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.442 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 55.2 ttm . . . . . 0 N--CA 1.488 1.448 0 N-CA-C 111.57 0.211 . . . . 0.0 111.57 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -130.02 164.14 24.96 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 126.359 1.864 . . . . 0.0 110.62 169.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.407 ' HB2' ' HE2' ' A' ' 3' ' ' LYS . 1.6 mppt? -107.78 141.01 39.99 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.693 1.197 . . . . 0.0 111.636 -174.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.6 t -121.9 139.68 48.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 124.275 1.03 . . . . 0.0 109.964 178.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.8 tpp -132.27 133.85 44.58 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 123.999 0.92 . . . . 0.0 110.307 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -108.24 135.13 50.07 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.521 1.128 . . . . 0.0 111.493 -176.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.4 t -115.42 120.68 65.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 126.812 2.045 . . . . 0.0 110.01 174.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 51.1 t -118.85 171.82 7.96 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.94 1.296 . . . . 0.0 110.516 169.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.3 ttpt -67.58 -45.92 74.16 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.499 -1.376 . . . . 0.0 113.424 -171.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.301 0.2 OUTLIER -123.4 14.4 9.59 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 115.432 1.642 . . . . 0.0 115.432 174.147 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.263 6.3 t-20 47.38 34.44 3.28 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 128.531 2.732 . . . . 0.0 116.171 -177.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.2 p -95.31 -42.55 8.47 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 125.453 1.501 . . . . 0.0 112.767 177.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.0 p -121.09 174.59 6.56 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.157 1.783 . . . . 0.0 111.964 -173.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 93.2 mtm-85 55.84 -75.82 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 127.456 2.302 . . . . 0.0 114.742 176.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.8 p -44.77 -43.3 8.47 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 126.718 2.007 . . . . 0.0 113.776 174.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -70.68 -34.47 72.03 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.868 0.867 . . . . 0.0 112.233 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 38.9 mtt -70.99 -34.96 71.89 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.239 1.016 . . . . 0.0 111.899 169.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.37 -42.14 98.84 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.358 0.663 . . . . 0.0 110.962 178.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -62.05 -40.38 95.57 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 118.91 -0.567 . . . . 0.0 110.991 169.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.16 -49.58 66.94 Favored Glycine 0 N--CA 1.473 1.14 0 C-N-CA 124.798 1.189 . . . . 0.0 114.838 174.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -70.74 -42.95 69.82 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 120.939 -1.33 . . . . 0.0 111.65 176.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.36 -39.51 85.7 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -178.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.3 ptmm? -64.71 -27.41 68.89 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-N 120.0 1.273 . . . . 0.0 113.17 177.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.3 m -87.08 -54.4 4.34 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.247 1.419 . . . . 0.0 112.66 178.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 69.0 mt -84.71 -22.97 29.55 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.226 1.41 . . . . 0.0 112.507 -171.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -102.02 9.19 56.38 Favored Glycine 0 CA--C 1.529 0.961 0 C-N-CA 126.28 1.895 . . . . 0.0 114.469 174.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.76 110.63 0.49 Allowed 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 119.554 1.677 . . . . 0.0 112.553 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.38 -13.5 60.0 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 124.341 0.972 . . . . 0.0 114.062 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 1' ' ' MET . 28.0 mtpt -85.99 -42.15 14.26 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.473 1.509 . . . . 0.0 110.934 169.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.3 pp -139.5 174.45 9.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.624 1.17 . . . . 0.0 113.128 -172.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -132.3 143.67 50.05 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.895 1.278 . . . . 0.0 108.679 168.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.22 148.58 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 -169.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.5 m -137.0 146.28 45.13 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.317 1.447 . . . . 0.0 110.112 175.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.7 t -116.09 136.77 52.72 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.629 1.572 . . . . 0.0 111.619 174.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 13.5 p -151.0 -177.51 6.06 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.685 1.594 . . . . 0.0 112.092 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -153.98 169.9 32.55 Favored Glycine 0 C--O 1.222 -0.613 0 O-C-N 120.174 -1.579 . . . . 0.0 112.331 171.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.534 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -63.84 -14.73 55.49 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 119.023 1.412 . . . . 0.0 112.975 174.753 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -154.44 165.6 35.91 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 127.419 2.288 . . . . 0.0 109.148 168.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.0 p -116.04 158.54 22.97 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.436 1.494 . . . . 0.0 112.569 -177.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.1 t -142.12 -82.08 0.21 Allowed 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.896 1.279 . . . . 0.0 110.688 170.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.72 158.93 18.21 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 127.959 2.504 . . . . 0.0 109.184 172.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.7 t -61.19 136.39 24.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 CA-C-N 120.483 1.492 . . . . 0.0 108.675 169.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -65.14 123.9 85.34 Favored Pre-proline 0 N--CA 1.466 0.348 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 175.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -69.95 -23.57 29.77 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 CA-C-N 120.271 1.133 . . . . 0.0 112.342 -168.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 47.7 m -70.69 -24.78 62.73 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.139 -0.975 . . . . 0.0 111.814 173.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.47 -39.85 95.55 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 120.716 -1.24 . . . . 0.0 111.808 174.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -55.79 -47.56 79.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 173.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.7 -42.86 97.93 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 120.841 0.353 . . . . 0.0 111.834 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 24.5 mmt -69.85 -24.4 63.43 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.423 1.089 . . . . 0.0 113.168 -179.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 81.9 mmm -81.1 -34.0 32.91 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.585 0.754 . . . . 0.0 111.6 169.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -67.8 -26.84 66.29 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.035 -1.041 . . . . 0.0 112.929 175.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -57.65 -30.18 65.2 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 119.473 1.033 . . . . 0.0 112.949 171.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . 0.255 6.2 p -107.22 13.56 8.3 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.881 0 C-N-CA 126.82 2.048 . . . . 0.0 111.259 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.5 20.86 79.45 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 125.391 1.472 . . . . 0.0 115.246 171.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 71.9 mt -110.78 140.69 28.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 125.573 1.549 . . . . 0.0 110.168 -177.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -107.24 123.91 48.98 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.632 0.773 . . . . 0.0 112.384 178.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.1 pt -120.94 10.15 6.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 125.142 1.377 . . . . 0.0 112.789 169.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.7 t -65.38 -26.56 68.06 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 120.617 -1.302 . . . . 0.0 112.869 -174.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -74.53 -1.04 60.28 Favored Glycine 0 CA--C 1.539 1.577 0 CA-C-O 118.613 -1.104 . . . . 0.0 115.311 172.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -89.92 155.46 19.11 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 119.643 1.721 . . . . 0.0 111.329 177.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 24.6 p -134.53 164.1 28.22 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 127.645 2.378 . . . . 0.0 108.231 176.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.5 p -93.23 140.33 29.65 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 176.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -143.4 147.49 40.22 Favored Pre-proline 0 CA--C 1.552 1.034 0 C-N-CA 124.48 1.112 . . . . 0.0 113.964 -176.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -84.96 147.59 10.53 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 124.005 3.137 . . . . 0.0 113.891 -174.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.9 tt -57.01 -35.22 46.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 127.422 2.289 . . . . 0.0 112.082 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -63.1 -22.47 66.88 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -177.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.24 -13.57 43.44 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 176.359 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -98.72 170.13 9.0 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.114 1.366 . . . . 0.0 113.629 -169.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -119.86 85.66 2.42 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.193 1.397 . . . . 0.0 112.96 -169.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.27 -35.72 18.65 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -58.99 -25.49 63.68 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.275 1.43 . . . . 0.0 114.101 -176.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -86.63 -30.44 21.77 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 176.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -79.97 99.51 7.66 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.525 -0.734 . . . . 0.0 109.396 -173.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -51.9 -33.04 35.17 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.776 0.83 . . . . 0.0 111.695 178.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 42.6 t -128.0 136.46 60.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 C-N-CA 124.333 1.053 . . . . 0.0 111.015 174.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.1 t -120.92 138.66 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.2 1.0 . . . . 0.0 110.119 170.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 27.1 mm -125.79 131.5 71.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 124.801 1.241 . . . . 0.0 108.922 -178.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 76.9 p -104.95 145.68 30.08 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.976 0.807 . . . . 0.0 110.707 169.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 mp . . . . . 0 N--CA 1.472 0.667 0 C-N-CA 125.554 1.542 . . . . 0.0 109.783 -172.368 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 90.6 t . . . . . 0 N--CA 1.471 0.587 0 CA-C-O 122.099 0.952 . . . . 0.0 113.454 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -146.57 154.5 41.58 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.235 1.814 . . . . 0.0 108.067 168.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 73.0 mt -116.89 67.58 4.13 Favored Pre-proline 0 CA--C 1.55 0.968 0 C-N-CA 124.092 0.957 . . . . 0.0 111.044 -177.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -59.77 -16.05 35.37 Favored 'Trans proline' 0 CA--C 1.556 1.608 0 N-CA-C 118.652 2.52 . . . . 0.0 118.652 -174.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -74.03 -160.39 0.1 OUTLIER 'Trans proline' 0 CA--C 1.548 1.178 0 CA-C-N 123.443 2.265 . . . . 0.0 114.016 175.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -59.22 -9.58 2.27 Favored 'General case' 0 CA--C 1.549 0.932 0 O-C-N 120.193 -1.567 . . . . 0.0 114.689 175.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 92.5 m95 -58.35 -18.19 25.72 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.638 1.575 . . . . 0.0 114.958 172.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 35.2 m -115.78 1.25 8.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 124.453 1.101 . . . . 0.0 113.804 174.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 41.8 p -94.11 2.9 55.93 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.17 0.988 . . . . 0.0 113.111 178.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -73.62 176.25 6.37 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.82 1.248 . . . . 0.0 111.918 177.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -65.19 -37.31 86.93 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 121.317 -0.864 . . . . 0.0 112.642 -169.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 32.0 mt -135.85 137.25 49.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 123.901 0.881 . . . . 0.0 110.076 169.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -126.83 135.8 51.5 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.557 1.143 . . . . 0.0 109.93 169.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -136.78 153.38 50.84 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.375 1.07 . . . . 0.0 112.025 176.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -124.89 98.9 5.9 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.757 1.223 . . . . 0.0 110.191 178.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 39.4 m0 -90.77 80.02 5.93 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 125.537 1.535 . . . . 0.0 110.563 -177.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -71.73 116.29 11.93 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.659 178.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 92.7 mt -137.82 167.84 20.92 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.658 1.983 . . . . 0.0 109.762 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -74.7 178.98 5.04 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 122.026 0.917 . . . . 0.0 112.913 178.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -118.63 99.03 51.45 Favored Pre-proline 0 CA--C 1.544 0.716 0 C-N-CA 124.216 1.006 . . . . 0.0 112.495 -169.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -70.01 -11.91 31.42 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 124.145 3.23 . . . . 0.0 116.661 -173.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -55.32 108.25 0.4 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.822 1.249 . . . . 0.0 111.635 -179.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 77.84 14.58 82.21 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 124.321 0.962 . . . . 0.0 114.937 -178.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -90.35 -96.89 0.11 Allowed 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 118.796 1.298 . . . . 0.0 111.597 -179.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 60.0 p -158.22 162.93 37.89 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 126.475 1.91 . . . . 0.0 110.183 176.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 54.2 mt -65.1 -33.8 76.89 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.653 -0.654 . . . . 0.0 112.039 177.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -61.83 -39.11 90.67 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.096 0.558 . . . . 0.0 112.28 171.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 64.4 t -69.76 -37.69 74.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 O-C-N 120.74 -1.225 . . . . 0.0 111.335 174.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -58.9 -50.45 73.96 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.021 0.828 . . . . 0.0 111.431 170.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 23.3 mtp85 -55.08 -42.14 72.44 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.155 1.382 . . . . 0.0 112.37 174.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 89.1 m -63.16 -38.26 90.46 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.65 1.18 . . . . 0.0 112.292 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 58.0 t -77.73 -46.05 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 O-C-N 121.536 -0.728 . . . . 0.0 111.505 174.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 48.2 ttp180 -52.23 -47.89 65.45 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 126.577 1.951 . . . . 0.0 112.328 -178.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -61.53 -34.79 89.7 Favored Glycine 0 N--CA 1.476 1.341 0 C-N-CA 123.677 0.656 . . . . 0.0 113.383 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -77.34 -43.74 31.93 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.662 -0.905 . . . . 0.0 111.675 177.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 59.9 t -56.19 -43.95 77.79 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 O-C-N 121.2 -0.938 . . . . 0.0 111.289 170.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 38.8 tttm -56.81 -55.02 39.68 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.51 1.124 . . . . 0.0 111.732 173.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -65.94 -35.1 79.68 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 118.601 -0.714 . . . . 0.0 112.554 -174.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 28.9 mmm180 -63.76 -43.06 97.55 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.397 0.999 . . . . 0.0 111.083 173.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 19.1 t -59.81 -51.28 74.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 CA-C-N 119.567 1.076 . . . . 0.0 113.342 171.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -59.18 -35.64 73.93 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 120.613 1.551 . . . . 0.0 112.658 179.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.27 -29.89 63.05 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 177.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 48.0 tp -76.58 -50.45 13.85 Favored 'General case' 0 CA--C 1.524 -0.056 0 C-N-CA 124.048 0.939 . . . . 0.0 111.555 178.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 6.5 pt -61.79 -33.17 56.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 CA-C-N 119.366 0.985 . . . . 0.0 111.819 -174.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.47 -21.21 66.61 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 175.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -85.33 -41.05 15.85 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.656 1.183 . . . . 0.0 112.887 174.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.253 1.9 pp -106.05 -0.66 9.99 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 -169.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 39.8 m . . . . . 0 C--O 1.254 1.294 0 C-N-CA 124.23 1.012 . . . . 0.0 112.386 174.382 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.452 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 56.7 ttm . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 119.694 -0.193 . . . . 0.0 111.472 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -128.82 166.43 19.07 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 125.99 1.716 . . . . 0.0 110.829 169.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -107.41 141.46 38.77 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.75 1.22 . . . . 0.0 111.91 -175.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.8 t -123.05 140.69 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 124.536 1.134 . . . . 0.0 109.823 176.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.3 tpp -132.01 133.38 44.38 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.907 0.883 . . . . 0.0 109.987 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -106.98 131.67 53.79 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.839 0.856 . . . . 0.0 111.248 -177.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.3 t -109.23 132.3 57.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 126.639 1.976 . . . . 0.0 109.961 171.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 46.9 t -130.73 171.84 12.66 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.322 1.449 . . . . 0.0 108.835 169.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -63.74 -50.89 67.33 Favored 'General case' 0 N--CA 1.484 1.261 0 O-C-N 120.677 -1.264 . . . . 0.0 112.714 -169.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.302 0.0 OUTLIER -121.77 15.75 10.99 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 115.943 1.831 . . . . 0.0 115.943 173.927 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 53.55 23.7 3.67 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 128.739 2.816 . . . . 0.0 116.482 -176.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.3 p -82.31 -31.02 30.16 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.419 1.087 . . . . 0.0 113.605 -176.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.5 t -149.46 -177.31 5.79 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.577 1.551 . . . . 0.0 110.955 -174.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.7 mtm-85 57.13 -77.11 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 127.682 2.393 . . . . 0.0 114.235 -175.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 54.1 p -44.25 -43.2 7.13 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 126.52 1.928 . . . . 0.0 113.684 174.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -68.88 -37.54 79.1 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.451 1.1 . . . . 0.0 112.254 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.1 mtt -68.73 -35.06 76.65 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.071 0.949 . . . . 0.0 111.569 170.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.62 -42.72 95.31 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.383 0.673 . . . . 0.0 110.72 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -62.24 -43.39 98.93 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 118.908 -0.568 . . . . 0.0 110.957 169.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.16 -48.5 63.27 Favored Glycine 0 N--CA 1.475 1.239 0 C-N-CA 124.455 1.026 . . . . 0.0 114.74 175.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -71.15 -45.72 62.96 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 121.15 -1.206 . . . . 0.0 111.71 175.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.54 -40.24 95.23 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 -177.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -67.44 -25.06 65.72 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 119.414 1.006 . . . . 0.0 113.273 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.2 m -87.43 -55.18 3.91 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.452 1.501 . . . . 0.0 112.558 176.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 76.4 mt -80.94 -30.74 35.19 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.211 1.404 . . . . 0.0 112.151 -172.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -97.46 11.62 65.04 Favored Glycine 0 CA--C 1.527 0.795 0 C-N-CA 126.258 1.885 . . . . 0.0 114.512 175.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.95 112.3 0.76 Allowed 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 119.511 1.656 . . . . 0.0 112.44 178.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.9 -13.89 58.07 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 124.444 1.021 . . . . 0.0 114.356 -178.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 1' ' ' MET . 22.2 mtpp -86.22 -41.11 14.91 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.345 1.458 . . . . 0.0 110.74 169.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.3 pp -139.68 174.28 9.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 124.839 1.256 . . . . 0.0 113.513 -174.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -131.05 141.87 50.24 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.3 1.44 . . . . 0.0 108.453 168.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -138.67 151.21 23.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 N-CA-C 114.828 1.418 . . . . 0.0 114.828 -169.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.0 m -140.6 147.07 38.82 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.564 1.545 . . . . 0.0 109.752 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.7 t -117.12 139.26 50.95 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.338 1.455 . . . . 0.0 111.962 174.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 15.0 p -153.26 -178.51 7.01 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.239 1.415 . . . . 0.0 112.662 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -152.98 161.55 29.65 Favored Glycine 0 C--O 1.223 -0.591 0 O-C-N 120.143 -1.598 . . . . 0.0 112.937 170.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.588 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -67.13 -16.12 64.13 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 117.917 0.859 . . . . 0.0 113.226 178.03 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -133.82 165.48 24.87 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 127.104 2.162 . . . . 0.0 108.12 168.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.0 t -127.71 143.46 51.14 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.615 0.766 . . . . 0.0 112.111 178.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 81.8 p -136.52 -99.47 0.21 Allowed 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.299 1.44 . . . . 0.0 111.457 176.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -155.27 155.12 33.23 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 127.859 2.463 . . . . 0.0 110.064 171.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -59.37 135.99 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 118.528 0.604 . . . . 0.0 111.377 170.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -72.25 127.22 90.59 Favored Pre-proline 0 CA--C 1.531 0.232 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 175.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.24 -26.21 25.55 Favored 'Trans proline' 0 CA--C 1.537 0.653 0 CA-C-N 120.503 1.215 . . . . 0.0 112.733 -169.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 20.4 m -68.29 -25.37 65.11 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.46 -0.775 . . . . 0.0 111.911 174.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.49 -45.18 92.42 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 120.817 -1.177 . . . . 0.0 111.882 175.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.4 mt -61.77 -43.79 97.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 123.942 0.897 . . . . 0.0 110.425 176.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.27 -38.56 87.18 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.314 0.578 . . . . 0.0 112.286 177.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 21.6 mmt -74.97 -29.82 61.02 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.927 1.291 . . . . 0.0 112.525 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 83.0 mmm -77.56 -29.94 52.44 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.063 0.847 . . . . 0.0 111.747 169.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -69.6 -22.91 63.47 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.997 -1.064 . . . . 0.0 112.867 175.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -60.17 -29.55 68.76 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 119.714 1.143 . . . . 0.0 112.549 170.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.0 m -103.65 10.48 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 125.478 1.511 . . . . 0.0 112.755 176.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.41 20.59 79.43 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 125.018 1.294 . . . . 0.0 115.266 176.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.4 mt -104.8 133.91 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 125.031 1.332 . . . . 0.0 110.034 -178.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -101.11 125.59 47.74 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.557 0.743 . . . . 0.0 112.373 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 33.8 pt -123.44 12.18 5.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.958 1.303 . . . . 0.0 113.002 169.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.5 t -66.81 -25.17 66.32 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 120.599 -1.313 . . . . 0.0 113.29 -175.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.86 0.32 45.85 Favored Glycine 0 CA--C 1.542 1.754 0 C-N-CA 124.755 1.169 . . . . 0.0 115.204 171.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -110.43 151.56 27.35 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.686 1.594 . . . . 0.0 110.876 177.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.3 t -149.84 -178.6 6.56 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 125.757 1.623 . . . . 0.0 106.687 168.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.2 m -67.37 137.25 55.83 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 -176.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -140.36 145.04 39.45 Favored Pre-proline 0 CA--C 1.551 1.017 0 C-N-CA 125.402 1.481 . . . . 0.0 112.958 171.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -85.75 144.53 8.73 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 123.374 2.716 . . . . 0.0 114.245 -171.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.5 tt -53.87 -35.34 27.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 127.408 2.283 . . . . 0.0 111.82 176.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -62.86 -23.69 67.43 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 -177.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.94 -12.81 43.52 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 176.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -99.89 171.47 7.84 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.179 1.392 . . . . 0.0 113.172 -170.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -123.43 82.46 2.01 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.233 1.413 . . . . 0.0 113.165 -169.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.567 ' HB2' ' CD2' ' A' ' 90' ' ' TRP . . . -54.73 -27.99 44.88 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 -178.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -58.2 -32.29 68.13 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.232 1.413 . . . . 0.0 113.984 177.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -91.21 -29.38 17.25 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -178.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -71.26 109.52 5.34 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 177.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -56.77 -30.99 64.17 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 122.961 0.504 . . . . 0.0 111.592 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 46.6 t -130.93 138.52 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 C-N-CA 124.88 1.272 . . . . 0.0 110.709 177.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 41.2 t -124.92 137.56 57.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 123.959 0.904 . . . . 0.0 109.954 171.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 27.3 mm -122.8 134.71 65.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 C-N-CA 124.422 1.089 . . . . 0.0 109.735 -177.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.5 t -101.92 137.65 39.93 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.719 0.808 . . . . 0.0 111.386 169.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.5 mp -137.36 47.06 2.11 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 126.041 1.737 . . . . 0.0 109.228 -177.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 77.4 m -94.99 -19.25 20.36 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 116.12 1.896 . . . . 0.0 116.12 -169.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.32 50.72 6.51 Favored Glycine 0 CA--C 1.536 1.365 0 CA-C-N 119.017 0.826 . . . . 0.0 112.434 -173.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 64.3 m 60.11 -177.9 0.1 Allowed 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.892 2.077 . . . . 0.0 113.583 -172.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 78.48 5.13 87.86 Favored Glycine 0 CA--C 1.538 1.477 0 O-C-N 121.131 -0.981 . . . . 0.0 115.248 -177.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 58.7 t -141.26 132.15 27.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 125.523 1.529 . . . . 0.0 110.643 -171.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -130.61 -5.32 4.15 Favored 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 -178.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.456 HD13 ' HB3' ' A' ' 90' ' ' TRP . 37.7 mt 42.89 64.79 5.95 Favored Pre-proline 0 N--CA 1.485 1.285 0 C-N-CA 126.366 1.866 . . . . 0.0 114.845 -177.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -50.91 -28.2 23.11 Favored 'Trans proline' 0 CA--C 1.553 1.451 0 C-N-CA 123.449 2.766 . . . . 0.0 119.123 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -76.47 -156.46 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.231 0 C-N-CA 122.476 2.117 . . . . 0.0 115.185 -176.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.486 ' HG3' ' HB3' ' A' ' 70' ' ' ALA . 10.2 pt-20 -52.87 -14.2 0.53 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.337 1.455 . . . . 0.0 114.452 169.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.567 ' CD2' ' HB2' ' A' ' 70' ' ' ALA . 93.5 m95 -66.24 6.23 0.44 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.657 1.983 . . . . 0.0 116.043 175.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 27.0 m -134.85 9.75 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 125.107 1.363 . . . . 0.0 113.06 169.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 44.8 p -100.51 11.57 39.18 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.756 1.223 . . . . 0.0 112.991 -178.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.47 ' NE2' ' HB1' ' A' ' 70' ' ' ALA . 25.3 mp0 -59.75 175.38 0.37 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 128.265 2.626 . . . . 0.0 114.198 177.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -68.4 -38.73 81.56 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.453 169.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 28.5 mt -137.23 138.45 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.689 1.196 . . . . 0.0 110.416 170.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -128.74 135.31 49.03 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.452 1.101 . . . . 0.0 108.57 168.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -135.35 156.12 49.46 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.552 1.141 . . . . 0.0 111.153 176.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -128.55 114.35 16.62 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.687 0.795 . . . . 0.0 112.031 174.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 33.7 m0 -103.68 91.32 3.96 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.781 1.633 . . . . 0.0 109.603 -174.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -86.07 81.33 8.51 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.903 0.881 . . . . 0.0 110.381 -173.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 51.0 mt -94.61 175.62 6.6 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.423 1.489 . . . . 0.0 111.301 -177.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 27.2 mp0 -63.96 168.97 4.65 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.073 1.349 . . . . 0.0 111.587 172.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -121.23 93.93 48.79 Favored Pre-proline 0 CA--C 1.544 0.746 0 C-N-CA 124.967 1.307 . . . . 0.0 111.09 -173.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -71.72 -17.5 29.4 Favored 'Trans proline' 0 C--N 1.358 1.042 0 C-N-CA 123.78 2.986 . . . . 0.0 117.327 -169.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -60.7 106.11 0.53 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 123.991 0.917 . . . . 0.0 111.477 -175.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 87.2 12.32 68.01 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 124.192 0.901 . . . . 0.0 114.489 -177.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -91.56 -113.1 0.09 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.155 1.382 . . . . 0.0 110.558 177.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 40.3 m -152.76 159.56 43.11 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.727 2.011 . . . . 0.0 109.569 -177.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.0 mp -68.25 -25.67 65.29 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 120.983 -1.073 . . . . 0.0 112.285 -175.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -64.28 -33.9 76.9 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 120.976 -1.078 . . . . 0.0 112.069 169.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 99.3 t -74.33 -38.08 46.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 O-C-N 121.224 -0.922 . . . . 0.0 110.577 174.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -60.25 -46.02 91.25 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.041 0.837 . . . . 0.0 111.313 169.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 61.1 mtp85 -61.25 -40.2 93.17 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.519 1.128 . . . . 0.0 112.161 176.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 53.4 m -60.89 -43.23 98.75 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.548 1.139 . . . . 0.0 111.696 175.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 50.2 t -68.59 -48.31 72.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 O-C-N 121.283 -0.886 . . . . 0.0 111.846 173.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -52.9 -46.64 68.07 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.705 1.602 . . . . 0.0 112.279 -177.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -62.24 -38.25 95.89 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 123.458 0.552 . . . . 0.0 113.26 178.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -72.14 -44.56 62.94 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.865 -0.785 . . . . 0.0 111.385 176.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 61.4 t -57.18 -44.64 83.84 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 O-C-N 120.909 -1.119 . . . . 0.0 111.406 173.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -58.02 -52.89 63.66 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.939 0.896 . . . . 0.0 111.354 175.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -64.86 -37.8 88.84 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 118.689 -0.672 . . . . 0.0 112.479 -175.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 -64.24 -44.05 93.03 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.441 1.019 . . . . 0.0 111.258 174.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 14.0 t -60.25 -49.29 84.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 CA-C-O 117.84 -1.076 . . . . 0.0 113.452 173.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -61.14 -35.16 76.31 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 120.625 1.557 . . . . 0.0 112.398 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -29.6 63.12 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 177.176 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 48.0 tp -77.43 -50.58 12.41 Favored 'General case' 0 C--O 1.228 -0.048 0 C-N-CA 124.013 0.925 . . . . 0.0 111.801 178.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.8 pt -61.73 -31.88 52.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 CA-C-N 119.113 0.869 . . . . 0.0 112.055 -174.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.72 -21.56 65.29 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 175.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -83.48 -39.54 20.38 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.702 1.201 . . . . 0.0 112.868 174.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.273 1.9 pp -107.82 1.17 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 N-CA-C 115.767 1.765 . . . . 0.0 115.767 -170.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.0 m . . . . . 0 C--O 1.255 1.394 0 C-N-CA 124.514 1.125 . . . . 0.0 112.616 170.96 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.448 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 15.9 ttt . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 119.856 -0.116 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -129.94 166.25 20.43 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 126.023 1.729 . . . . 0.0 111.542 172.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -106.36 139.38 40.93 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.795 1.238 . . . . 0.0 110.961 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.2 t -124.54 141.26 45.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 124.345 1.058 . . . . 0.0 109.996 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 11.2 tpp -133.86 133.59 41.73 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.111 0.964 . . . . 0.0 110.17 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -111.34 120.62 42.83 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.442 1.097 . . . . 0.0 110.709 -176.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.2 t -98.24 140.89 17.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 124.808 1.243 . . . . 0.0 111.836 176.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 49.0 t -133.04 178.82 6.6 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 127.616 2.366 . . . . 0.0 109.924 176.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.99 -53.14 15.87 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 119.917 -1.739 . . . . 0.0 111.84 176.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.262 0.1 OUTLIER -128.26 9.88 6.22 Favored 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 116.12 1.896 . . . . 0.0 116.12 179.822 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.393 3.4 t30 52.56 33.54 13.69 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 129.859 3.264 . . . . 0.0 118.885 -173.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.5 p -78.81 -54.07 6.45 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.642 -0.661 . . . . 0.0 112.319 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.9 t -131.53 -171.68 2.66 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.179 1.792 . . . . 0.0 110.844 -176.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 92.5 mtm-85 57.45 -83.01 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 126.946 2.098 . . . . 0.0 113.109 -170.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.7 m -62.56 -30.05 71.03 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.522 1.529 . . . . 0.0 113.445 -171.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -68.5 -34.98 76.85 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 121.36 -0.837 . . . . 0.0 111.595 173.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 47.9 mtt -70.23 -34.24 72.64 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.152 0.981 . . . . 0.0 111.398 170.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.63 -41.65 99.14 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.175 0.59 . . . . 0.0 110.809 177.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -62.43 -43.12 99.58 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 118.881 -0.581 . . . . 0.0 111.373 169.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.26 -47.82 72.51 Favored Glycine 0 N--CA 1.474 1.214 0 C-N-CA 124.326 0.965 . . . . 0.0 114.439 175.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -70.42 -45.46 65.84 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 120.998 -1.296 . . . . 0.0 111.882 175.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.31 -40.11 93.34 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -176.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.6 ptmt -67.36 -25.55 66.04 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 119.54 1.064 . . . . 0.0 113.198 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.9 m -86.46 -56.52 3.39 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.572 1.549 . . . . 0.0 112.577 175.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 76.1 mt -81.47 -30.58 33.32 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.091 1.357 . . . . 0.0 112.188 -171.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -95.89 11.16 68.09 Favored Glycine 0 CA--C 1.524 0.631 0 C-N-CA 126.195 1.855 . . . . 0.0 114.39 175.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.74 113.67 1.05 Allowed 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.601 1.7 . . . . 0.0 112.475 -178.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.89 -19.75 11.19 Favored Glycine 0 CA--C 1.539 1.573 0 C-N-CA 125.01 1.291 . . . . 0.0 114.804 -176.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 1' ' ' MET . 28.8 mtpp -76.61 -38.76 54.24 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.702 1.201 . . . . 0.0 110.486 169.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.5 pp -144.75 171.53 6.13 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 125.05 1.34 . . . . 0.0 113.292 -178.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -125.23 144.6 50.38 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.3 1.44 . . . . 0.0 108.315 168.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -139.28 149.7 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 N-CA-C 115.531 1.678 . . . . 0.0 115.531 -169.223 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.9 m -139.5 150.68 45.42 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.54 1.536 . . . . 0.0 109.985 178.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.7 t -118.72 144.89 45.94 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.194 1.398 . . . . 0.0 111.965 175.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 18.4 t -152.54 154.24 35.04 Favored 'General case' 0 C--O 1.221 -0.437 0 C-N-CA 124.621 1.168 . . . . 0.0 112.714 -169.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -122.49 165.09 15.29 Favored Glycine 0 CA--C 1.524 0.62 0 O-C-N 120.83 -1.169 . . . . 0.0 111.163 169.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.0 mt -65.15 -38.28 90.08 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 119.958 1.879 . . . . 0.0 108.49 169.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -115.26 173.39 6.53 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.991 2.116 . . . . 0.0 109.537 169.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.6 p -147.6 138.98 23.74 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 120.985 -1.072 . . . . 0.0 112.438 -178.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 88.2 p -130.18 -72.85 0.56 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 122.981 0.513 . . . . 0.0 112.024 169.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.34 156.74 21.77 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 126.415 1.886 . . . . 0.0 111.5 -178.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.7 t -62.05 136.48 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.371 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 169.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -62.92 125.76 87.34 Favored Pre-proline 0 N--CA 1.467 0.42 0 CA-C-O 118.711 -0.661 . . . . 0.0 109.496 174.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -70.63 -23.95 26.25 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 CA-C-N 120.267 1.131 . . . . 0.0 111.827 -169.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 59.3 m -71.91 -26.24 62.23 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 121.292 -0.88 . . . . 0.0 111.908 173.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.01 -37.81 86.27 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 120.25 -1.531 . . . . 0.0 112.024 174.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.06 -48.17 82.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 172.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.48 -36.41 84.1 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -178.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.79 -28.66 60.82 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 124.469 1.108 . . . . 0.0 112.676 178.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 80.8 mmm -77.0 -30.52 55.95 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.27 0.941 . . . . 0.0 111.174 169.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -66.67 -22.31 66.09 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.167 -0.958 . . . . 0.0 113.087 173.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -64.09 -27.24 68.96 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 120.135 1.334 . . . . 0.0 112.679 173.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.7 m -103.85 10.51 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 125.391 1.476 . . . . 0.0 112.561 176.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.41 22.15 78.6 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.599 1.095 . . . . 0.0 115.133 177.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 68.9 mt -107.94 145.14 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 125.506 1.522 . . . . 0.0 109.383 178.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -113.81 129.37 56.59 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.45 0.7 . . . . 0.0 112.41 178.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.0 pt -120.5 13.0 6.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.79 1.236 . . . . 0.0 112.725 169.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.0 m -62.67 -27.6 69.35 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 120.6 -1.313 . . . . 0.0 113.325 -177.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.56 -1.74 77.87 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 124.918 1.246 . . . . 0.0 114.872 174.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -87.12 162.53 17.49 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 119.457 1.628 . . . . 0.0 111.284 175.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 23.1 p -143.2 167.87 21.1 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 128.719 2.808 . . . . 0.0 105.775 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.7 m -104.41 137.01 42.91 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.587 -0.696 . . . . 0.0 112.358 177.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -143.89 152.15 54.66 Favored Pre-proline 0 N--CA 1.479 1.013 0 C-N-CA 125.057 1.343 . . . . 0.0 113.031 -175.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -95.84 151.9 1.43 Allowed 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 123.605 2.87 . . . . 0.0 113.958 -169.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 8.2 tt -58.66 -30.66 42.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 126.102 1.761 . . . . 0.0 112.583 -178.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -60.98 -21.97 64.04 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 175.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -94.81 -15.0 24.11 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 179.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -97.47 173.82 6.98 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.998 1.319 . . . . 0.0 113.753 -169.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -127.08 88.89 2.88 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.057 1.343 . . . . 0.0 113.322 -169.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.51 -33.47 31.83 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -179.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -59.38 -25.73 64.51 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.994 1.317 . . . . 0.0 114.133 -177.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -100.84 7.53 43.66 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.196 0.998 . . . . 0.0 113.455 177.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -109.29 98.65 8.04 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.292 1.037 . . . . 0.0 108.442 173.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -55.87 -32.69 63.9 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 121.732 -0.605 . . . . 0.0 111.779 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 40.3 t -126.19 138.2 55.35 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 124.553 1.141 . . . . 0.0 110.806 173.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 51.9 t -125.31 136.64 60.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 124.319 1.048 . . . . 0.0 109.769 173.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 15.3 mm -120.41 139.99 45.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 C-N-CA 124.478 1.111 . . . . 0.0 109.814 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.6 t -106.01 134.91 48.38 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 118.676 0.671 . . . . 0.0 112.135 169.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.5 mp -134.23 48.67 2.31 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.99 1.716 . . . . 0.0 109.332 -176.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 7.1 m -120.34 -3.52 9.96 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 116.438 2.014 . . . . 0.0 116.438 -169.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 83.23 -179.93 52.62 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 124.24 0.924 . . . . 0.0 111.684 -168.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 81.7 m -68.72 -14.22 62.88 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 115.37 1.618 . . . . 0.0 115.37 -170.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -71.65 0.48 35.03 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 124.633 1.111 . . . . 0.0 115.675 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 38.6 t -133.59 137.83 52.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 125.245 1.418 . . . . 0.0 111.931 -169.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -137.56 -2.52 1.96 Allowed 'General case' 0 CA--C 1.552 1.048 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.5 mt 43.46 67.08 4.01 Favored Pre-proline 0 N--CA 1.483 1.186 0 C-N-CA 126.085 1.754 . . . . 0.0 114.71 -177.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -51.06 -28.8 25.91 Favored 'Trans proline' 0 CA--C 1.555 1.535 0 C-N-CA 123.63 2.887 . . . . 0.0 118.981 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -76.59 -160.63 0.12 Allowed 'Trans proline' 0 CA--C 1.549 1.266 0 C-N-CA 122.662 2.241 . . . . 0.0 114.569 -177.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -58.45 -8.07 1.09 Allowed 'General case' 0 N--CA 1.477 0.912 0 O-C-N 120.221 -1.55 . . . . 0.0 115.122 175.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -58.33 -15.95 12.43 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.678 1.591 . . . . 0.0 114.411 171.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.8 m -117.54 4.05 7.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 124.537 1.135 . . . . 0.0 114.038 174.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 43.4 p -98.11 6.03 47.98 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.663 1.185 . . . . 0.0 113.355 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -76.78 -175.99 3.67 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.04 1.336 . . . . 0.0 111.781 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -63.18 -41.05 99.14 Favored 'General case' 0 N--CA 1.48 1.033 0 O-C-N 120.736 -1.227 . . . . 0.0 112.381 -171.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 46.9 mt -140.53 140.48 33.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 125.512 1.525 . . . . 0.0 109.557 175.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -129.51 134.64 47.88 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.69 1.196 . . . . 0.0 109.703 168.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -135.2 155.85 49.98 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.657 1.183 . . . . 0.0 111.054 175.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -124.35 111.96 16.4 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 121.472 0.654 . . . . 0.0 111.792 173.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 43.4 m0 -105.9 85.76 2.27 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.859 1.664 . . . . 0.0 109.91 -173.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -84.77 118.66 24.59 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.949 -171.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 92.1 mt -139.32 172.72 12.41 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.576 1.95 . . . . 0.0 110.979 -175.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 22.9 mp0 -61.2 169.35 2.14 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.856 2.062 . . . . 0.0 112.81 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -117.23 91.1 35.95 Favored Pre-proline 0 CA--C 1.549 0.931 0 C-N-CA 125.837 1.655 . . . . 0.0 110.497 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_exo -66.78 -15.2 46.62 Favored 'Trans proline' 0 C--N 1.359 1.105 0 C-N-CA 124.386 3.391 . . . . 0.0 117.426 -169.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -57.44 110.87 0.94 Allowed 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 119.488 1.04 . . . . 0.0 112.269 -178.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 79.68 14.86 80.55 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 123.876 0.75 . . . . 0.0 113.748 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -90.48 -110.66 0.09 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.413 1.085 . . . . 0.0 110.172 177.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 74.4 m -155.16 157.52 37.54 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 127.22 2.208 . . . . 0.0 109.326 -175.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.447 HD22 ' H ' ' A' ' 109' ' ' LEU . 1.4 mm? -68.94 -27.48 65.78 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.446 -0.784 . . . . 0.0 111.854 -174.337 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -64.73 -34.22 77.82 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.76 0.824 . . . . 0.0 112.28 170.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 78.1 t -72.82 -39.52 59.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 O-C-N 121.05 -1.031 . . . . 0.0 110.282 174.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -58.6 -47.09 85.47 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 118.615 0.643 . . . . 0.0 111.41 170.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 61.2 mtp85 -63.69 -38.97 93.12 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.665 1.186 . . . . 0.0 112.073 178.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 51.8 m -61.26 -40.83 95.55 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.794 1.238 . . . . 0.0 111.775 174.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 41.9 t -68.26 -52.59 36.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 123.367 0.667 . . . . 0.0 111.567 171.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 48.7 ttp180 -52.69 -46.37 67.25 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.567 1.547 . . . . 0.0 112.633 -174.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -62.63 -37.46 94.81 Favored Glycine 0 N--CA 1.474 1.206 0 C-N-CA 123.469 0.557 . . . . 0.0 113.336 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -75.87 -43.82 43.69 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.821 -0.811 . . . . 0.0 111.092 177.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 85.8 t -56.43 -43.78 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 O-C-N 121.288 -0.882 . . . . 0.0 111.648 172.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -56.47 -56.06 25.96 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.904 0.881 . . . . 0.0 111.417 174.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.7 -37.38 87.4 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 118.351 -0.833 . . . . 0.0 111.788 -175.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -60.96 -44.43 97.33 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 119.218 0.917 . . . . 0.0 111.21 176.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 27.0 t -60.94 -49.72 83.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 CA-C-O 118.154 -0.927 . . . . 0.0 112.944 171.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -60.22 -35.59 75.78 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 120.537 1.517 . . . . 0.0 112.415 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.85 -24.96 60.94 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 177.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 48.0 tp -81.95 -50.0 9.64 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.487 1.115 . . . . 0.0 111.936 175.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 6.4 pt -65.01 -24.57 35.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-N 119.484 1.038 . . . . 0.0 113.17 -175.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.76 -19.93 61.95 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 173.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -88.63 -43.62 11.21 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.901 1.28 . . . . 0.0 113.13 176.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.281 1.7 pp -104.45 0.84 10.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 N-CA-C 116.965 2.209 . . . . 0.0 116.965 -169.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 79.1 p . . . . . 0 C--O 1.255 1.38 0 CA-C-N 120.069 1.304 . . . . 0.0 113.692 174.535 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.423 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 11.7 ttt . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 119.851 -0.119 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -130.46 165.61 22.28 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 125.697 1.599 . . . . 0.0 111.868 172.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -109.87 139.19 45.24 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.681 1.192 . . . . 0.0 111.251 -176.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.3 t -123.41 138.83 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.265 1.026 . . . . 0.0 109.974 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 7.8 tpp -129.7 135.53 48.6 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.09 0.956 . . . . 0.0 110.511 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -113.85 120.18 39.85 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.484 1.114 . . . . 0.0 112.305 -174.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -97.45 144.99 9.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 C-N-CA 126.44 1.896 . . . . 0.0 111.395 174.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 44.4 t -144.17 -169.91 3.23 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.959 2.103 . . . . 0.0 107.271 169.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -64.23 -69.44 0.28 Allowed 'General case' 0 N--CA 1.486 1.357 0 CA-C-N 121.199 1.818 . . . . 0.0 111.824 175.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.6 ptm85 -115.6 15.43 16.59 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 115.444 1.646 . . . . 0.0 115.444 -174.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 56.93 29.86 17.03 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 126.595 1.958 . . . . 0.0 113.794 -175.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.4 p -82.83 -46.2 13.34 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.27 1.428 . . . . 0.0 112.806 -175.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.4 t -140.39 177.68 7.83 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.484 1.514 . . . . 0.0 110.334 -176.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.2 mtm-85 58.47 -71.58 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 127.694 2.398 . . . . 0.0 114.319 -174.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.9 p -50.43 -39.7 48.17 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 126.21 1.804 . . . . 0.0 113.286 177.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -71.21 -37.53 72.08 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.794 0.838 . . . . 0.0 111.892 177.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 53.4 mtt -67.83 -34.76 77.35 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 120.974 -1.079 . . . . 0.0 111.73 174.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.57 -43.48 93.76 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.092 0.557 . . . . 0.0 111.536 176.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -60.65 -42.71 97.54 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.038 0.535 . . . . 0.0 110.381 169.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -47.16 -63.4 3.31 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 126.473 1.987 . . . . 0.0 114.03 171.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -65.48 -40.58 93.28 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 119.131 1.466 . . . . 0.0 112.671 -179.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.86 -39.12 87.45 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 -177.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 ptmt -61.21 -30.57 70.51 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 120.167 1.348 . . . . 0.0 113.025 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.7 m -91.75 -52.21 4.86 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.814 1.645 . . . . 0.0 112.312 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 89.1 mt -75.73 -31.11 59.48 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.406 0.683 . . . . 0.0 112.568 -175.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -99.34 11.54 61.68 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 126.399 1.952 . . . . 0.0 114.992 176.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.01 109.98 0.31 Allowed 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 119.049 1.424 . . . . 0.0 113.535 -173.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.87 -18.56 20.46 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 124.832 1.206 . . . . 0.0 115.008 175.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 1' ' ' MET . 17.2 ptmt -87.22 -26.68 23.4 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 118.11 0.955 . . . . 0.0 112.852 169.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 pp -133.91 171.53 17.8 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 123.763 0.825 . . . . 0.0 111.854 169.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.69 145.93 52.04 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.132 0.973 . . . . 0.0 109.389 168.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -140.29 150.62 21.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 -169.287 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.7 m -143.94 149.59 37.04 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.86 1.664 . . . . 0.0 108.927 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.0 p -124.93 151.98 44.71 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 120.844 -1.16 . . . . 0.0 112.332 169.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 17.1 p -155.19 -177.25 6.41 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.367 1.467 . . . . 0.0 111.263 -178.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -149.29 166.92 29.58 Favored Glycine 0 N--CA 1.466 0.696 0 O-C-N 120.771 -1.205 . . . . 0.0 112.088 169.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.04 -15.05 62.71 Favored 'General case' 0 N--CA 1.48 1.075 0 CA-C-N 118.927 1.363 . . . . 0.0 113.383 176.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -136.58 -179.73 5.86 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 127.163 2.185 . . . . 0.0 108.906 169.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.4 t -137.69 144.28 41.71 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 120.957 -1.089 . . . . 0.0 112.448 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.9 t -143.09 -104.56 0.13 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.223 1.409 . . . . 0.0 110.497 174.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.85 160.87 41.76 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.289 1.836 . . . . 0.0 111.465 173.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.4 t -63.23 139.07 21.86 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 171.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -67.5 124.87 90.24 Favored Pre-proline 0 N--CA 1.466 0.352 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 172.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.03 -25.03 32.35 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 CA-C-N 120.293 1.14 . . . . 0.0 112.363 -169.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 51.2 m -69.23 -26.92 65.04 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 121.291 -0.881 . . . . 0.0 111.994 174.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.84 -39.32 94.0 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 120.618 -1.301 . . . . 0.0 112.144 174.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mp -57.67 -48.59 83.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 172.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.15 -37.94 89.22 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -177.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 7.4 mmt -75.41 -28.38 59.4 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.116 0.966 . . . . 0.0 112.269 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 81.8 mmm -77.46 -30.11 53.06 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 119.213 0.915 . . . . 0.0 111.808 169.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -67.26 -25.16 65.94 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 120.998 -1.064 . . . . 0.0 112.745 174.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -60.64 -30.91 70.17 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 119.874 1.216 . . . . 0.0 112.827 173.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 30.4 m -99.08 8.32 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 125.211 1.404 . . . . 0.0 112.642 176.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.47 24.33 76.45 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 124.966 1.27 . . . . 0.0 114.907 177.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 75.5 mt -112.16 139.35 37.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 125.139 1.376 . . . . 0.0 110.278 -176.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -104.38 125.89 50.99 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 -171.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.8 pt -134.66 21.55 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 124.588 1.155 . . . . 0.0 112.456 169.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.3 t -78.07 -30.87 49.91 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 121.008 -1.058 . . . . 0.0 112.686 -176.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -83.54 13.98 43.81 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 125.015 1.293 . . . . 0.0 115.639 -178.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -126.96 164.09 22.25 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.631 1.715 . . . . 0.0 111.76 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 35.1 p -131.04 176.15 8.49 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 127.303 2.241 . . . . 0.0 107.485 -173.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.1 m -74.85 148.13 40.48 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 121.74 -0.6 . . . . 0.0 112.459 170.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -141.52 146.38 41.66 Favored Pre-proline 0 CA--C 1.551 0.997 0 C-N-CA 124.399 1.079 . . . . 0.0 113.073 170.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -88.39 149.01 6.46 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 123.869 3.046 . . . . 0.0 114.102 -174.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.8 tt -57.86 -35.86 53.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 127.008 2.123 . . . . 0.0 112.076 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.31 -21.99 66.6 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 -177.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.08 -13.85 43.1 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 176.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -99.29 171.45 7.97 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.148 1.379 . . . . 0.0 113.588 -170.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -124.6 85.98 2.49 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.203 1.401 . . . . 0.0 112.34 -169.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.54 -33.67 46.58 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -55.57 -27.04 46.82 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.557 1.543 . . . . 0.0 114.29 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -83.46 -31.76 26.38 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 175.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -80.3 102.93 9.83 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.729 0.812 . . . . 0.0 109.41 -171.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -49.31 -36.11 20.12 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.124 0.97 . . . . 0.0 111.762 175.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.1 t -130.23 136.1 59.38 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 C-N-CA 123.95 0.9 . . . . 0.0 110.795 177.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 56.0 t -121.19 137.19 55.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 123.929 0.891 . . . . 0.0 110.128 171.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 29.7 mm -122.8 136.38 59.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 124.604 1.161 . . . . 0.0 109.514 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.2 t -105.78 132.65 51.65 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 118.633 0.651 . . . . 0.0 110.924 169.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.0 mp -126.35 49.53 2.0 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 126.206 1.802 . . . . 0.0 107.867 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 21.0 p -83.45 -33.39 25.66 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 116.587 2.069 . . . . 0.0 116.587 -168.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.19 43.77 15.51 Favored Glycine 0 CA--C 1.537 1.421 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -169.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 68.2 m 59.45 -179.45 0.08 Allowed 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 127.21 2.204 . . . . 0.0 113.291 -169.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 80.13 4.72 89.79 Favored Glycine 0 CA--C 1.54 1.626 0 O-C-N 120.911 -1.118 . . . . 0.0 115.356 -177.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 61.5 t -141.64 136.48 31.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 126.184 1.793 . . . . 0.0 109.431 -175.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -137.29 -0.26 2.24 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 115.572 1.693 . . . . 0.0 115.572 178.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 40.4 mt 44.07 65.78 5.54 Favored Pre-proline 0 CA--C 1.555 1.147 0 C-N-CA 126.346 1.858 . . . . 0.0 115.12 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -51.03 -29.11 26.64 Favored 'Trans proline' 0 CA--C 1.557 1.644 0 C-N-CA 123.418 2.745 . . . . 0.0 119.174 179.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -77.07 -158.66 0.09 OUTLIER 'Trans proline' 0 CA--C 1.55 1.296 0 C-N-CA 122.669 2.246 . . . . 0.0 115.001 -176.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -53.02 -13.28 0.43 Allowed 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 126.101 1.76 . . . . 0.0 115.356 172.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 86.2 m95 -60.08 -15.93 27.47 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.909 1.684 . . . . 0.0 114.893 173.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.6 m -118.72 3.41 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 124.459 1.104 . . . . 0.0 113.907 173.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 43.4 p -94.07 2.18 56.06 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.109 0.964 . . . . 0.0 113.36 177.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 71.7 mm-40 -74.97 175.87 7.71 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.765 1.226 . . . . 0.0 112.421 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -65.0 -36.45 84.46 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -169.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 42.9 mt -137.31 135.54 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 123.889 0.875 . . . . 0.0 110.043 169.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -126.58 134.8 50.73 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.308 1.043 . . . . 0.0 109.198 168.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -134.81 153.79 51.89 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.149 0.979 . . . . 0.0 111.394 175.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -124.78 114.85 19.8 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.981 0.912 . . . . 0.0 111.868 173.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.458 ' CE2' ' HB3' ' A' ' 122' ' ' ARG . 36.9 m0 -104.07 90.12 3.49 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 125.757 1.623 . . . . 0.0 109.688 -174.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -82.96 101.55 11.14 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 122.98 0.512 . . . . 0.0 110.237 -175.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 63.3 mt -116.83 168.99 9.73 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.503 1.521 . . . . 0.0 110.47 177.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -71.27 173.49 7.68 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 122.085 0.945 . . . . 0.0 112.1 173.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -114.49 100.67 53.43 Favored Pre-proline 0 CA--C 1.552 1.046 0 C-N-CA 126.571 1.949 . . . . 0.0 111.854 -170.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_exo -70.34 -14.22 34.04 Favored 'Trans proline' 0 C--N 1.357 0.995 0 C-N-CA 123.466 2.777 . . . . 0.0 117.38 -170.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -55.86 113.74 1.62 Allowed 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.465 1.03 . . . . 0.0 112.524 -177.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.06 15.6 79.81 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 123.975 0.797 . . . . 0.0 114.404 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -89.06 -97.26 0.1 Allowed 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 118.119 0.96 . . . . 0.0 110.877 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.7 t -160.57 164.96 31.56 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.843 1.657 . . . . 0.0 109.737 171.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 59.5 mt -58.8 -37.9 77.37 Favored 'General case' 0 C--O 1.221 -0.402 0 C-N-CA 123.86 0.864 . . . . 0.0 112.21 175.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -58.94 -35.43 73.12 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.614 -0.679 . . . . 0.0 112.549 174.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 94.0 t -75.22 -38.13 40.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 O-C-N 121.388 -0.82 . . . . 0.0 111.102 175.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -60.44 -45.88 92.07 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.883 0.765 . . . . 0.0 111.411 170.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -62.83 -39.77 95.36 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.689 1.195 . . . . 0.0 111.934 177.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 53.0 m -62.33 -39.69 93.9 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.155 0.982 . . . . 0.0 111.707 175.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 40.3 t -70.33 -50.33 47.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 O-C-N 121.667 -0.646 . . . . 0.0 111.378 172.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 57.0 ttp180 -49.58 -47.36 49.45 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 126.126 1.77 . . . . 0.0 112.157 -179.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -59.6 -46.55 93.8 Favored Glycine 0 N--CA 1.471 1.033 0 C-N-CA 123.639 0.637 . . . . 0.0 112.961 178.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -69.74 -37.76 76.6 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 121.149 -1.206 . . . . 0.0 111.929 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 49.1 t -64.98 -42.9 95.95 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 O-C-N 120.973 -1.079 . . . . 0.0 111.51 174.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -53.49 -55.37 25.92 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.185 0.994 . . . . 0.0 109.783 170.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -54.28 -52.2 62.2 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.543 0.737 . . . . 0.0 112.202 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.458 ' HB3' ' CE2' ' A' ' 99' ' ' TRP . 26.1 mmm180 -63.68 -30.81 71.86 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 119.668 -0.813 . . . . 0.0 111.572 -175.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 22.0 t -70.89 -55.22 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 169.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -68.24 -23.69 64.83 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 119.878 1.217 . . . . 0.0 113.315 -173.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -80.24 -27.45 38.71 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 171.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 42.2 tp -76.9 -48.18 19.01 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.58 1.152 . . . . 0.0 112.341 175.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 11.0 pt -61.82 -29.76 46.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 CA-C-N 119.411 1.005 . . . . 0.0 112.658 -173.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.5 -21.53 65.5 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 175.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -82.09 -37.95 25.59 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.487 1.115 . . . . 0.0 112.906 174.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 1.9 pp -109.47 -5.34 10.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 N-CA-C 116.662 2.097 . . . . 0.0 116.662 -169.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.6 m . . . . . 0 C--O 1.253 1.266 0 CA-C-N 120.106 1.321 . . . . 0.0 112.819 177.047 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.412 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 12.0 ttt . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 119.716 -0.183 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -130.5 163.82 26.17 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 125.89 1.676 . . . . 0.0 112.076 173.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -105.41 137.43 43.24 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.43 1.092 . . . . 0.0 111.115 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.6 t -121.64 139.18 49.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 124.49 1.116 . . . . 0.0 109.972 177.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.8 tpp -130.37 133.11 46.15 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 124.104 0.961 . . . . 0.0 109.807 -178.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -108.05 137.49 45.95 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.241 1.016 . . . . 0.0 111.141 -175.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.3 t -116.19 135.35 56.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 126.711 2.004 . . . . 0.0 110.141 177.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -131.88 177.34 7.61 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.564 1.546 . . . . 0.0 110.785 169.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -49.74 52.82 Favored 'General case' 0 N--CA 1.485 1.307 0 O-C-N 120.936 -1.102 . . . . 0.0 112.867 -178.095 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.283 0.0 OUTLIER -122.39 14.33 10.36 Favored 'General case' 0 N--CA 1.5 2.056 0 N-CA-C 116.048 1.87 . . . . 0.0 116.048 173.505 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 48.03 38.71 9.96 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 128.121 2.568 . . . . 0.0 115.633 -177.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.8 p -95.96 -32.54 12.55 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 114.781 1.4 . . . . 0.0 114.781 -176.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.1 t -138.28 -156.12 0.66 Allowed 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.527 1.531 . . . . 0.0 109.584 -176.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 45.17 -86.46 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 127.683 2.393 . . . . 0.0 114.138 172.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 m -51.51 -33.85 33.54 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 126.922 2.089 . . . . 0.0 113.809 174.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -70.19 -38.17 75.28 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.608 -0.683 . . . . 0.0 111.929 175.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 53.0 mtt -68.42 -32.27 72.19 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.972 0.909 . . . . 0.0 111.776 171.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.8 -40.25 96.2 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.334 0.654 . . . . 0.0 111.317 178.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -62.95 -40.94 99.2 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 119.122 -0.466 . . . . 0.0 110.892 169.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.43 -47.69 86.22 Favored Glycine 0 N--CA 1.476 1.331 0 C-N-CA 124.773 1.178 . . . . 0.0 114.532 175.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -71.59 -44.64 64.1 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 120.764 -1.433 . . . . 0.0 112.023 175.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.93 -40.08 94.5 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 118.547 -0.74 . . . . 0.0 112.895 -178.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.8 ptmm? -63.71 -27.07 68.96 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-N 120.008 1.276 . . . . 0.0 113.295 178.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.5 m -89.18 -51.0 5.81 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.597 1.559 . . . . 0.0 112.483 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 76.7 mt -85.07 -29.06 25.22 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.921 1.289 . . . . 0.0 112.141 -171.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -99.92 13.45 60.61 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 126.457 1.979 . . . . 0.0 114.255 172.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.5 110.37 0.33 Allowed 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.007 1.404 . . . . 0.0 113.482 -173.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.49 -17.43 24.75 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 124.972 1.272 . . . . 0.0 114.812 176.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 1' ' ' MET . 17.7 ptmt -88.45 -25.33 22.68 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 118.274 1.037 . . . . 0.0 112.803 169.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 pp -133.91 170.61 19.45 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 C-N-CA 123.727 0.811 . . . . 0.0 112.093 169.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -129.51 146.5 51.33 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.358 1.063 . . . . 0.0 109.54 168.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -139.99 150.34 21.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 N-CA-C 115.469 1.655 . . . . 0.0 115.469 -169.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.4 m -140.74 148.33 40.54 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.788 1.635 . . . . 0.0 110.002 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.2 t -118.43 142.1 47.89 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.716 1.206 . . . . 0.0 112.78 173.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 15.5 p -153.67 -177.27 6.26 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.351 1.46 . . . . 0.0 112.453 177.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -154.77 167.01 32.56 Favored Glycine 0 N--CA 1.467 0.75 0 O-C-N 120.114 -1.616 . . . . 0.0 112.72 170.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.519 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.7 OUTLIER -65.39 -16.97 64.16 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 118.68 1.24 . . . . 0.0 112.758 174.467 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -138.46 169.27 18.09 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.733 2.013 . . . . 0.0 109.171 169.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.0 t -131.06 148.73 52.78 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.974 1.309 . . . . 0.0 111.663 179.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.9 t -140.46 -81.29 0.26 Allowed 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.006 0.922 . . . . 0.0 111.701 173.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.64 162.05 21.24 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 127.131 2.172 . . . . 0.0 109.856 171.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.4 t -65.13 137.0 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 CA-C-N 119.995 1.27 . . . . 0.0 108.496 169.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 -68.94 124.47 90.38 Favored Pre-proline 0 N--CA 1.465 0.281 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 173.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -67.69 -24.64 40.94 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 CA-C-N 120.452 1.197 . . . . 0.0 112.164 -169.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 40.9 m -70.7 -29.17 65.39 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.622 -0.674 . . . . 0.0 112.175 173.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.96 -45.32 93.06 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 120.75 -1.219 . . . . 0.0 111.488 174.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.3 mt -59.92 -43.0 91.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 123.994 0.918 . . . . 0.0 110.967 174.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.96 -42.94 99.97 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 118.547 0.612 . . . . 0.0 111.371 177.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 4.9 mmt -69.08 -25.62 64.52 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.393 1.077 . . . . 0.0 112.749 -179.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 82.8 mmm -79.52 -36.48 38.44 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 118.902 0.774 . . . . 0.0 111.411 169.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -67.54 -27.03 66.61 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.061 -1.025 . . . . 0.0 112.532 175.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -62.95 -19.99 64.8 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.262 1.025 . . . . 0.0 113.321 171.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 30.0 m -109.82 14.93 8.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 125.288 1.435 . . . . 0.0 112.632 170.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.87 16.75 78.18 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 125.091 1.329 . . . . 0.0 115.204 175.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.1 mt -101.96 125.32 56.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 C-N-CA 124.954 1.302 . . . . 0.0 109.666 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -95.16 123.54 38.71 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 121.018 0.437 . . . . 0.0 112.143 -178.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.5 pt -126.65 15.91 3.73 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 C-N-CA 125.586 1.554 . . . . 0.0 112.232 169.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.8 m -62.15 -26.11 68.13 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 120.812 -1.18 . . . . 0.0 113.563 -170.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -82.5 2.21 85.89 Favored Glycine 0 CA--C 1.539 1.549 0 C-N-CA 125.044 1.307 . . . . 0.0 115.25 175.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -73.38 154.54 40.01 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 119.88 1.84 . . . . 0.0 111.736 177.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 25.5 p -136.59 162.31 33.47 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 127.855 2.462 . . . . 0.0 106.991 169.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 77.2 p -87.52 146.82 25.63 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.258 -0.901 . . . . 0.0 112.315 172.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -143.95 146.82 35.75 Favored Pre-proline 0 N--CA 1.479 0.988 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -86.39 147.12 8.68 Favored 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 123.723 2.948 . . . . 0.0 113.894 -175.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.6 tt -56.98 -34.0 43.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 127.022 2.129 . . . . 0.0 112.075 178.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -59.7 -25.37 64.74 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.924 1.29 . . . . 0.0 114.068 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.32 -12.4 40.65 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 178.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -99.01 171.36 8.09 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.887 1.275 . . . . 0.0 114.028 -169.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -122.27 85.48 2.42 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.179 1.392 . . . . 0.0 113.224 -169.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.62 -33.63 34.0 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -57.55 -28.11 63.25 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.243 1.417 . . . . 0.0 114.244 -178.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -86.46 -32.62 20.73 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 177.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -74.54 110.72 9.06 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 -176.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -53.39 -37.27 62.32 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 121.795 -0.566 . . . . 0.0 111.02 174.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.5 t -133.16 138.31 51.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 C-N-CA 124.334 1.054 . . . . 0.0 110.192 -175.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 45.9 t -124.73 138.3 54.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.127 0.971 . . . . 0.0 109.995 173.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 23.6 mm -129.18 125.84 63.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 124.277 1.031 . . . . 0.0 109.955 -174.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.9 t -92.09 141.74 28.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.402 0.62 . . . . 0.0 109.509 168.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.3 mp -129.06 39.41 3.78 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.689 1.196 . . . . 0.0 109.117 172.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 77.9 m -98.63 -37.65 9.43 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 115.253 1.575 . . . . 0.0 115.253 -169.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 93.9 -158.97 23.51 Favored Glycine 0 CA--C 1.539 1.536 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 -168.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 28.0 p -65.84 162.65 18.47 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-O 121.824 0.821 . . . . 0.0 113.208 174.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 83.77 1.72 89.89 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 124.43 1.014 . . . . 0.0 115.069 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 60.7 t -134.93 134.17 53.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 125.813 1.645 . . . . 0.0 109.941 -179.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -141.29 -3.29 1.2 Allowed 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 116.057 1.873 . . . . 0.0 116.057 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 43.3 mt 44.52 59.82 13.04 Favored Pre-proline 0 CA--C 1.553 1.083 0 C-N-CA 125.995 1.718 . . . . 0.0 114.756 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -58.65 -17.79 37.16 Favored 'Trans proline' 0 CA--C 1.557 1.627 0 N-CA-C 118.784 2.571 . . . . 0.0 118.784 -177.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_exo -76.01 -159.76 0.1 OUTLIER 'Trans proline' 0 C--N 1.362 1.256 0 CA-C-N 124.044 2.48 . . . . 0.0 113.864 176.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -59.04 -7.73 1.2 Allowed 'General case' 0 N--CA 1.479 0.982 0 O-C-N 120.064 -1.647 . . . . 0.0 115.146 174.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -60.32 -15.41 25.19 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.365 1.466 . . . . 0.0 114.524 172.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 34.7 m -117.84 3.2 7.34 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 173.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 43.8 p -96.15 4.03 52.79 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.181 0.992 . . . . 0.0 113.21 178.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -75.09 -179.37 4.31 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.286 1.034 . . . . 0.0 112.029 177.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -63.34 -41.36 98.87 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 121.358 -0.839 . . . . 0.0 112.827 -169.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 44.7 mt -136.98 139.33 44.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 124.82 1.248 . . . . 0.0 109.779 171.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -127.73 135.52 50.27 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.469 1.108 . . . . 0.0 110.243 168.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -134.46 155.11 50.92 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.746 1.218 . . . . 0.0 111.693 176.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -132.79 94.29 3.36 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.51 1.124 . . . . 0.0 109.881 175.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 28.3 m95 -91.0 100.92 13.7 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.546 0.738 . . . . 0.0 109.534 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -85.15 113.28 21.42 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.281 0.632 . . . . 0.0 110.084 -174.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 66.7 mt -121.23 170.25 9.77 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.506 1.522 . . . . 0.0 112.277 -174.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 25.2 mp0 -64.65 164.55 11.78 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.08 1.752 . . . . 0.0 111.366 172.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -113.66 99.89 50.85 Favored Pre-proline 0 CA--C 1.547 0.853 0 C-N-CA 125.295 1.438 . . . . 0.0 111.474 -178.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -74.23 -15.02 23.0 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 123.59 2.86 . . . . 0.0 116.46 -173.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -59.8 107.92 0.68 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.047 0.939 . . . . 0.0 111.514 -175.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.16 13.14 74.91 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 124.071 0.843 . . . . 0.0 114.831 -177.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -91.93 -105.74 0.11 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.726 1.21 . . . . 0.0 111.054 178.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.1 t -158.69 167.8 28.55 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.802 1.641 . . . . 0.0 110.281 173.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 81.6 mt -59.04 -35.55 73.51 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.494 1.118 . . . . 0.0 112.851 178.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -59.67 -36.25 76.06 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.529 0.732 . . . . 0.0 111.958 173.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 91.4 t -78.32 -35.39 19.49 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 O-C-N 122.068 -0.395 . . . . 0.0 110.654 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -62.43 -44.32 96.69 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.782 -0.574 . . . . 0.0 110.92 169.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -60.37 -41.54 93.93 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.088 1.355 . . . . 0.0 112.001 175.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 52.6 m -60.51 -43.41 97.1 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.463 1.105 . . . . 0.0 111.575 176.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.46 -48.53 66.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 O-C-N 121.189 -0.944 . . . . 0.0 112.358 172.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 -52.32 -47.52 65.94 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 126.061 1.744 . . . . 0.0 112.15 -178.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -61.87 -37.52 94.49 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 123.745 0.688 . . . . 0.0 113.305 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -71.85 -48.63 44.69 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 117.83 0.815 . . . . 0.0 111.077 175.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 60.4 t -53.24 -44.38 52.96 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.309 0 CA-C-N 119.679 1.127 . . . . 0.0 111.224 174.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -56.94 -54.92 41.19 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.794 0.838 . . . . 0.0 111.214 174.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -65.35 -37.51 87.27 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 118.753 -0.641 . . . . 0.0 112.711 -175.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -63.93 -44.13 93.8 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.473 1.033 . . . . 0.0 110.8 176.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 12.2 t -61.52 -49.76 83.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-O 117.676 -1.154 . . . . 0.0 113.049 172.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -58.58 -36.29 73.74 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 121.05 1.75 . . . . 0.0 112.546 178.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.7 -20.56 59.81 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 178.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 54.8 tp -89.56 -47.94 7.64 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.3 1.44 . . . . 0.0 111.679 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 11.0 pt -64.46 -27.96 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 CA-C-N 119.476 1.035 . . . . 0.0 112.866 -177.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.19 -18.1 63.87 Favored 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 174.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -88.71 -40.1 13.5 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.851 1.26 . . . . 0.0 112.983 175.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.256 1.6 pp -106.27 -1.41 9.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 N-CA-C 116.813 2.153 . . . . 0.0 116.813 -169.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 66.0 p . . . . . 0 C--O 1.256 1.405 0 CA-C-N 120.042 1.292 . . . . 0.0 113.866 176.403 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.474 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 19.8 ttt . . . . . 0 N--CA 1.489 1.477 0 CA-C-O 119.386 -0.34 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -128.91 166.42 19.15 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 125.153 1.381 . . . . 0.0 112.105 173.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -105.28 137.89 42.35 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.633 1.173 . . . . 0.0 111.721 -178.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.6 t -124.95 139.95 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 124.82 1.248 . . . . 0.0 110.053 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.0 tpp -133.09 133.66 43.26 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.86 0.864 . . . . 0.0 109.86 -178.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -104.03 139.59 38.93 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.485 0.714 . . . . 0.0 111.584 -176.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.4 t -120.55 128.69 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 126.805 2.042 . . . . 0.0 110.602 174.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.6 t -127.13 165.65 19.14 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.406 1.483 . . . . 0.0 108.305 169.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -34.67 78.21 Favored 'General case' 0 N--CA 1.485 1.292 0 O-C-N 120.776 -1.202 . . . . 0.0 112.788 -172.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.274 0.2 OUTLIER -133.29 9.28 4.04 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 117.439 2.385 . . . . 0.0 117.439 173.401 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 51.64 31.5 7.92 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 127.255 2.222 . . . . 0.0 116.427 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.0 p -87.42 -35.87 18.05 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.413 1.485 . . . . 0.0 112.873 174.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.3 p -144.75 174.76 10.71 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.443 1.897 . . . . 0.0 110.941 -169.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.1 mtm-85 56.29 -76.41 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 127.065 2.146 . . . . 0.0 114.399 -173.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.7 p -45.63 -42.9 11.87 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 126.82 2.048 . . . . 0.0 114.367 176.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -70.46 -36.07 73.69 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.022 0.529 . . . . 0.0 111.135 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.4 mtp -74.26 -32.64 63.01 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.592 1.157 . . . . 0.0 111.632 176.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.29 -44.13 95.92 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.283 1.033 . . . . 0.0 111.457 171.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -61.26 -42.81 99.27 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.242 0.617 . . . . 0.0 111.077 170.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.94 -49.12 60.05 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 125.6 1.572 . . . . 0.0 114.841 172.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -70.42 -46.38 64.06 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 120.725 -1.456 . . . . 0.0 111.616 176.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.47 -40.38 96.95 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -176.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -64.12 -26.42 68.53 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 119.776 1.171 . . . . 0.0 113.113 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.2 m -89.82 -52.56 4.92 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.823 1.649 . . . . 0.0 112.062 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 74.1 mt -82.24 -31.58 30.14 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.825 1.25 . . . . 0.0 112.008 -172.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -96.42 11.51 66.92 Favored Glycine 0 CA--C 1.526 0.729 0 C-N-CA 126.131 1.824 . . . . 0.0 114.151 175.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.72 113.05 0.81 Allowed 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 119.815 1.807 . . . . 0.0 112.727 -179.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.12 -17.38 17.84 Favored Glycine 0 CA--C 1.538 1.47 0 C-N-CA 125.131 1.348 . . . . 0.0 114.953 -176.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.474 ' O ' ' HA ' ' A' ' 1' ' ' MET . 29.4 mtpp -78.8 -38.2 38.87 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.165 1.386 . . . . 0.0 110.356 169.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.4 pp -144.42 169.51 9.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 125.179 1.392 . . . . 0.0 112.89 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -123.72 142.6 50.93 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.95 1.3 . . . . 0.0 108.142 168.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -135.81 151.63 29.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 N-CA-C 115.216 1.561 . . . . 0.0 115.216 -169.411 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.6 m -140.72 147.95 39.98 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.653 1.581 . . . . 0.0 109.316 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.3 t -115.55 140.06 49.51 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.14 0.976 . . . . 0.0 112.312 173.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 14.3 p -153.12 -178.27 6.83 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.593 1.157 . . . . 0.0 112.644 175.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -153.92 166.09 31.84 Favored Glycine 0 N--CA 1.466 0.686 0 O-C-N 120.243 -1.536 . . . . 0.0 112.59 169.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.546 HD23 ' H ' ' A' ' 37' ' ' LEU 0.26 0.6 OUTLIER -66.85 -11.23 54.94 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 118.257 1.028 . . . . 0.0 113.481 176.874 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -142.52 165.85 26.27 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 127.621 2.368 . . . . 0.0 108.113 168.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.2 p -125.44 118.35 25.65 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.121 0.968 . . . . 0.0 111.953 176.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.5 t -99.71 -125.23 0.16 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.628 1.571 . . . . 0.0 109.43 175.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.0 146.12 48.73 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 127.574 2.349 . . . . 0.0 109.543 170.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -58.79 133.43 23.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 CA-C-N 119.049 0.841 . . . . 0.0 109.544 169.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -74.45 128.85 85.14 Favored Pre-proline 0 CA--C 1.534 0.365 0 CA-C-O 119.077 -0.487 . . . . 0.0 110.357 -176.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -72.33 -28.03 15.6 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 CA-C-N 120.144 1.087 . . . . 0.0 111.998 -171.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.0 m -72.9 -27.71 62.04 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.49 -0.756 . . . . 0.0 111.64 175.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.73 -48.41 79.69 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 121.0 -1.062 . . . . 0.0 111.703 173.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.6 mt -57.8 -46.84 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 123.508 0.723 . . . . 0.0 109.944 175.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.2 -37.27 79.73 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 9.0 mmt -77.56 -28.61 51.85 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.502 1.121 . . . . 0.0 111.876 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 84.0 mmm -75.73 -29.68 58.99 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.989 0.813 . . . . 0.0 111.797 169.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -68.21 -24.22 64.91 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.066 -1.021 . . . . 0.0 112.752 174.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -62.41 -28.31 69.7 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.727 1.149 . . . . 0.0 112.785 173.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.0 m -102.15 10.15 8.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 125.663 1.585 . . . . 0.0 112.54 176.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.59 22.56 78.3 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 125.084 1.326 . . . . 0.0 115.198 176.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 65.9 mt -108.85 138.23 36.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 125.201 1.401 . . . . 0.0 110.555 -176.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -107.0 125.0 50.43 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.41 1.084 . . . . 0.0 113.056 -176.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.3 pt -130.54 23.57 1.84 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.931 0 C-N-CA 125.687 1.595 . . . . 0.0 112.125 169.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.3 t -76.5 -28.66 56.52 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 120.526 -1.359 . . . . 0.0 112.731 -178.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -79.01 8.89 41.71 Favored Glycine 0 CA--C 1.538 1.469 0 C-N-CA 125.396 1.474 . . . . 0.0 115.97 -178.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -134.24 160.4 37.97 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.281 1.433 . . . . 0.0 111.137 -178.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.2 t -142.92 -172.97 3.77 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 123.545 0.738 . . . . 0.0 109.67 171.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 25.2 m -61.4 134.5 56.97 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 124.477 1.111 . . . . 0.0 113.162 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -137.47 145.35 48.97 Favored Pre-proline 0 CA--C 1.549 0.925 0 C-N-CA 124.185 0.994 . . . . 0.0 113.23 171.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -86.92 144.75 7.4 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 123.368 2.712 . . . . 0.0 113.998 -170.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 11.1 tt -54.72 -34.54 30.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 127.475 2.31 . . . . 0.0 112.019 178.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -63.82 -23.19 67.26 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.545 1.138 . . . . 0.0 113.955 -177.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.83 -13.28 39.69 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 177.43 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -98.1 171.47 8.22 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.119 1.368 . . . . 0.0 113.55 -170.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -122.86 83.9 2.19 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.256 1.422 . . . . 0.0 113.076 -169.468 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.89 -28.12 55.17 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 -177.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -58.38 -31.51 67.72 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.462 1.505 . . . . 0.0 113.832 178.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -86.02 -33.44 21.04 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -70.02 114.62 8.37 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -60.61 -32.12 71.27 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.744 -0.597 . . . . 0.0 111.084 176.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 93.6 t -135.73 140.17 44.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 125.407 1.483 . . . . 0.0 110.361 -176.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 43.0 t -128.76 136.18 60.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.311 1.044 . . . . 0.0 110.215 176.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 31.5 mm -127.95 113.46 30.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 C-N-CA 123.915 0.886 . . . . 0.0 110.033 -170.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 21.2 t -84.02 145.89 28.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.452 0.644 . . . . 0.0 109.927 169.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 mp -134.06 44.85 2.68 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.316 1.446 . . . . 0.0 108.733 172.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 86.4 m -106.25 -27.67 10.89 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 115.498 1.666 . . . . 0.0 115.498 -169.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.87 -165.34 49.26 Favored Glycine 0 CA--C 1.537 1.44 0 CA-C-N 118.775 0.716 . . . . 0.0 111.809 -169.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 76.7 m -60.17 152.06 25.48 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.955 0.902 . . . . 0.0 112.807 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.58 -0.31 77.09 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 124.531 1.063 . . . . 0.0 115.259 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 58.1 t -132.36 121.8 46.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.218 1.407 . . . . 0.0 110.145 177.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -131.46 -0.77 3.96 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 114.887 1.44 . . . . 0.0 114.887 -177.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.443 HD13 ' HB3' ' A' ' 90' ' ' TRP . 44.8 mt 42.87 64.5 6.26 Favored Pre-proline 0 N--CA 1.481 1.118 0 C-N-CA 126.207 1.803 . . . . 0.0 114.767 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -50.71 -27.95 21.38 Favored 'Trans proline' 0 CA--C 1.556 1.609 0 C-N-CA 123.504 2.803 . . . . 0.0 119.314 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -76.51 -156.87 0.06 OUTLIER 'Trans proline' 0 CA--C 1.547 1.126 0 C-N-CA 122.72 2.28 . . . . 0.0 114.927 -177.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -55.39 -3.7 0.07 Allowed 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 126.302 1.841 . . . . 0.0 115.237 169.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.443 ' HB3' HD13 ' A' ' 86' ' ' LEU . 91.5 m95 -76.33 5.1 7.57 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.672 1.989 . . . . 0.0 115.271 174.02 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 34.6 m -134.52 11.77 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 124.94 1.296 . . . . 0.0 113.446 170.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 82.4 p -97.91 9.95 41.47 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 125.013 1.325 . . . . 0.0 112.851 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 19.6 mp0 -59.44 174.06 0.46 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 129.008 2.923 . . . . 0.0 113.811 177.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -68.42 -40.86 81.07 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.342 169.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 36.1 mt -136.29 138.01 47.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 125.12 1.368 . . . . 0.0 109.991 171.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -125.53 136.33 53.21 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.489 1.116 . . . . 0.0 109.116 168.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -130.34 158.22 40.41 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.237 1.015 . . . . 0.0 112.073 177.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -136.13 92.19 2.76 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.621 1.169 . . . . 0.0 109.719 171.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 50.5 m95 -88.04 97.51 11.01 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.611 0.72 . . . . 0.0 110.156 -178.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -80.44 123.79 28.35 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.389 0.676 . . . . 0.0 110.738 -172.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 77.0 mt -142.54 168.81 18.85 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.18 1.792 . . . . 0.0 110.4 -178.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -73.42 178.14 4.79 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 122.249 1.023 . . . . 0.0 112.677 175.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -119.57 98.14 49.99 Favored Pre-proline 0 CA--C 1.545 0.775 0 C-N-CA 124.607 1.163 . . . . 0.0 113.249 -169.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -71.18 -15.51 31.86 Favored 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 123.968 3.112 . . . . 0.0 116.904 -172.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -56.61 100.77 0.05 OUTLIER 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.797 1.639 . . . . 0.0 111.512 -177.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 86.14 14.27 67.07 Favored Glycine 0 CA--C 1.54 1.628 0 C-N-CA 124.468 1.033 . . . . 0.0 115.609 -177.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 -90.05 -103.56 0.09 Allowed 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 118.897 1.349 . . . . 0.0 111.782 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 60.7 p -154.35 163.78 39.63 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 126.282 1.833 . . . . 0.0 110.633 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 49.6 mt -63.07 -37.27 86.54 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.497 -0.752 . . . . 0.0 111.723 177.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -59.96 -39.48 85.77 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.703 -0.623 . . . . 0.0 112.115 174.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 74.9 t -70.98 -38.29 71.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 O-C-N 121.252 -0.905 . . . . 0.0 111.378 174.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -60.58 -47.38 86.45 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 119.762 1.165 . . . . 0.0 111.586 172.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -61.85 -38.82 89.67 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.631 1.173 . . . . 0.0 111.764 177.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 58.2 m -62.46 -38.84 91.35 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.186 0.994 . . . . 0.0 111.888 176.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 42.0 t -75.02 -46.2 40.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 O-C-N 121.588 -0.695 . . . . 0.0 111.577 174.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -52.07 -49.13 64.13 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 126.095 1.758 . . . . 0.0 112.171 -177.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -61.26 -35.22 90.59 Favored Glycine 0 N--CA 1.474 1.225 0 C-N-CA 123.466 0.555 . . . . 0.0 113.4 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -78.0 -46.58 20.61 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 121.934 -0.745 . . . . 0.0 111.482 177.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 66.1 t -54.43 -41.64 54.64 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 O-C-N 121.146 -0.971 . . . . 0.0 111.152 173.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 36.1 tttm -58.04 -57.12 14.22 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.483 1.113 . . . . 0.0 111.703 172.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -64.5 -35.82 82.18 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 118.898 -0.572 . . . . 0.0 112.154 -174.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -63.34 -42.24 98.92 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 119.161 0.892 . . . . 0.0 110.1 177.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 10.0 t -64.01 -49.03 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-O 117.564 -1.208 . . . . 0.0 113.449 171.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -58.61 -36.17 73.61 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 121.294 1.861 . . . . 0.0 112.824 177.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.81 -26.01 60.4 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 112.762 0.652 . . . . 0.0 112.762 178.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 53.2 tp -81.34 -49.04 11.18 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 124.894 1.278 . . . . 0.0 111.649 178.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.6 pt -64.66 -27.56 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-N 119.231 0.923 . . . . 0.0 112.488 -175.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.03 -21.83 65.0 Favored 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 174.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -85.02 -40.52 16.77 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.63 1.172 . . . . 0.0 113.169 176.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.282 1.9 pp -108.35 4.82 9.56 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 N-CA-C 116.224 1.935 . . . . 0.0 116.224 -169.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 C--O 1.253 1.238 0 C-N-CA 124.415 1.086 . . . . 0.0 111.841 169.752 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.462 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 56.6 ttm . . . . . 0 N--CA 1.488 1.473 0 CA-C-O 119.852 -0.118 . . . . 0.0 111.29 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -129.6 167.49 17.87 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 125.928 1.691 . . . . 0.0 110.874 169.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -107.82 139.1 42.92 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.978 1.311 . . . . 0.0 111.106 -174.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.9 t -123.65 139.74 49.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 124.584 1.153 . . . . 0.0 109.719 177.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.5 tpp -133.25 133.89 43.24 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 123.886 0.875 . . . . 0.0 110.32 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -107.8 130.93 54.94 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 124.164 0.986 . . . . 0.0 110.866 -175.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.4 t -110.37 128.98 66.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 126.887 2.075 . . . . 0.0 109.448 172.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 32.4 t -130.2 168.05 17.45 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.099 0.96 . . . . 0.0 110.749 170.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.65 -30.05 67.67 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -169.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.315 0.1 OUTLIER -135.33 15.77 3.45 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 115.852 1.797 . . . . 0.0 115.852 169.887 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 49.31 37.75 12.21 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 127.558 2.343 . . . . 0.0 115.466 -177.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.3 p -99.83 -36.8 9.31 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 -171.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.5 p -135.03 -74.93 0.46 Allowed 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -169.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.2 mtt85 -56.78 -48.12 78.6 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 -169.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.1 p -66.98 -32.63 73.99 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.798 0.839 . . . . 0.0 112.303 178.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -72.17 -40.23 68.1 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.262 0.625 . . . . 0.0 111.014 178.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 43.3 mtt -63.51 -38.88 92.83 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.719 0.808 . . . . 0.0 111.958 170.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.19 -44.06 89.62 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.33 0.652 . . . . 0.0 111.37 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -61.86 -41.61 98.05 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 118.814 -0.612 . . . . 0.0 111.396 169.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.99 -48.71 71.45 Favored Glycine 0 N--CA 1.471 0.98 0 C-N-CA 124.421 1.01 . . . . 0.0 113.968 176.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -69.91 -44.58 69.37 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 118.634 1.217 . . . . 0.0 111.593 175.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.4 -40.54 89.68 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -177.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -67.24 -25.06 65.9 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-N 119.61 1.096 . . . . 0.0 113.112 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.4 m -86.27 -57.89 2.84 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.692 1.597 . . . . 0.0 112.613 175.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 75.5 mt -80.94 -25.66 37.25 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.201 1.4 . . . . 0.0 112.432 -172.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -99.6 6.43 59.01 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 126.568 2.033 . . . . 0.0 114.542 177.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.47 114.16 1.16 Allowed 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 119.741 1.77 . . . . 0.0 112.543 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.0 -13.5 56.6 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 124.538 1.066 . . . . 0.0 114.615 -178.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 1' ' ' MET . 25.8 mtpt -89.19 -38.99 13.86 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.68 1.592 . . . . 0.0 110.987 169.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 pp -140.59 173.35 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 124.687 1.195 . . . . 0.0 113.616 -176.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -129.26 141.15 51.2 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.427 1.491 . . . . 0.0 108.122 168.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -138.12 151.04 24.84 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 -169.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.5 m -140.08 144.77 36.99 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.269 1.428 . . . . 0.0 110.232 177.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.0 t -111.06 136.03 50.68 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.932 1.693 . . . . 0.0 111.894 172.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 14.3 p -149.76 -179.48 7.15 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.572 1.549 . . . . 0.0 112.082 176.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -149.2 167.04 29.53 Favored Glycine 0 N--CA 1.466 0.68 0 O-C-N 119.914 -1.741 . . . . 0.0 112.358 169.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.512 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -64.45 -13.18 50.26 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 118.695 1.247 . . . . 0.0 113.392 175.51 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -153.56 159.47 42.19 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 127.807 2.443 . . . . 0.0 108.167 168.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.9 p -113.38 143.65 44.1 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.694 1.198 . . . . 0.0 112.256 -177.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 35.2 t -128.53 -101.47 0.33 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.618 1.167 . . . . 0.0 110.548 170.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.67 158.3 44.05 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 125.536 1.534 . . . . 0.0 110.892 170.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.2 t -61.42 130.17 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 CA-C-N 119.322 0.964 . . . . 0.0 108.937 170.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -66.87 124.33 88.37 Favored Pre-proline 0 CA--C 1.531 0.219 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 175.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -68.58 -25.68 34.49 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 CA-C-N 120.233 1.119 . . . . 0.0 112.092 -169.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.9 m -69.76 -29.3 66.61 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.134 -0.979 . . . . 0.0 111.853 172.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.33 -45.61 92.84 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 120.611 -1.306 . . . . 0.0 111.717 173.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.2 mt -58.87 -45.94 91.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 123.471 0.708 . . . . 0.0 110.19 174.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.25 -37.28 79.92 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 178.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 9.9 mmt -75.83 -27.31 57.82 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.496 1.119 . . . . 0.0 112.164 179.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 85.3 mmm -76.49 -30.64 57.33 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.123 0.874 . . . . 0.0 111.531 169.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -67.63 -24.53 65.47 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.085 -1.01 . . . . 0.0 112.971 174.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -61.54 -31.56 71.58 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 119.647 1.112 . . . . 0.0 112.905 173.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.8 m -97.34 9.77 6.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.174 1.389 . . . . 0.0 112.403 176.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.02 20.97 80.18 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 125.032 1.301 . . . . 0.0 114.936 177.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 68.7 mt -105.95 135.38 44.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 125.127 1.371 . . . . 0.0 110.074 -177.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -103.2 119.77 39.48 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.68 0.792 . . . . 0.0 112.536 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.6 pt -122.14 12.35 5.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 125.031 1.332 . . . . 0.0 112.583 169.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.3 t -66.66 -27.24 67.51 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 120.677 -1.265 . . . . 0.0 112.782 -176.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -75.91 0.47 62.05 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 124.784 1.183 . . . . 0.0 115.329 173.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -91.01 154.77 19.19 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 119.403 1.601 . . . . 0.0 110.848 175.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 28.2 p -146.87 152.37 38.6 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 128.806 2.842 . . . . 0.0 105.324 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.1 m -78.28 140.36 38.84 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.213 -0.93 . . . . 0.0 113.138 -170.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -138.11 145.68 48.69 Favored Pre-proline 0 N--CA 1.482 1.138 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -90.21 150.17 4.6 Favored 'Trans proline' 0 CA--C 1.541 0.838 0 C-N-CA 123.808 3.005 . . . . 0.0 114.05 -172.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.7 tt -58.11 -36.25 56.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 126.438 1.895 . . . . 0.0 112.003 -178.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -62.62 -21.86 65.97 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 114.363 1.245 . . . . 0.0 114.363 -177.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.89 -13.11 42.84 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 113.758 1.022 . . . . 0.0 113.758 176.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -99.4 172.34 7.39 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.219 1.407 . . . . 0.0 113.579 -170.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -123.12 89.7 3.16 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.098 1.359 . . . . 0.0 113.215 -169.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.11 -33.93 28.41 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -178.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -60.83 -24.31 65.77 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.109 1.364 . . . . 0.0 114.338 -177.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -100.67 7.73 43.76 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.717 0.807 . . . . 0.0 113.058 178.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -111.31 98.59 7.6 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 124.154 0.982 . . . . 0.0 108.747 174.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -54.49 -32.28 57.6 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.686 -0.634 . . . . 0.0 111.786 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 42.2 t -127.24 137.09 58.82 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 C-N-CA 124.801 1.24 . . . . 0.0 111.073 174.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.6 t -120.82 138.78 50.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 123.977 0.911 . . . . 0.0 109.848 170.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 29.1 mm -124.95 132.83 70.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 124.619 1.168 . . . . 0.0 109.263 -177.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.3 t -101.14 141.33 34.18 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.688 0.795 . . . . 0.0 109.879 169.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 mp -135.6 44.34 2.53 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 125.732 1.613 . . . . 0.0 109.369 -177.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 56.8 m -110.01 -18.56 13.33 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 115.2 1.555 . . . . 0.0 115.2 -169.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 81.88 -154.3 33.75 Favored Glycine 0 CA--C 1.537 1.464 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 -169.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 26.0 p -65.61 160.64 22.12 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 176.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 84.91 6.41 85.17 Favored Glycine 0 CA--C 1.537 1.444 0 N-CA-C 116.014 1.165 . . . . 0.0 116.014 174.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 59.7 t -133.24 126.22 52.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 125.139 1.376 . . . . 0.0 110.314 -178.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -132.82 -6.7 3.16 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 115.429 1.641 . . . . 0.0 115.429 -175.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.2 mt 42.92 65.75 5.05 Favored Pre-proline 0 N--CA 1.483 1.203 0 C-N-CA 126.103 1.761 . . . . 0.0 114.682 -177.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -51.04 -28.65 25.27 Favored 'Trans proline' 0 CA--C 1.554 1.482 0 C-N-CA 123.677 2.918 . . . . 0.0 119.058 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -76.67 -160.84 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 C-N-CA 122.604 2.203 . . . . 0.0 114.679 -176.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -58.97 -8.07 1.28 Allowed 'General case' 0 N--CA 1.477 0.918 0 O-C-N 120.155 -1.591 . . . . 0.0 115.115 175.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 90.6 m95 -59.24 -15.14 13.66 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.549 1.54 . . . . 0.0 114.654 171.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 32.9 m -118.3 4.22 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 124.518 1.127 . . . . 0.0 113.929 174.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 41.7 p -98.62 7.8 45.68 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.71 1.204 . . . . 0.0 113.133 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -77.12 -175.05 3.44 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 124.901 1.28 . . . . 0.0 111.174 176.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -65.24 -39.05 92.17 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 120.48 -1.388 . . . . 0.0 112.237 -171.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 49.4 mt -140.96 137.75 34.46 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 C-N-CA 125.403 1.481 . . . . 0.0 109.004 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -128.6 135.66 49.65 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.174 0.99 . . . . 0.0 109.873 168.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -134.41 154.52 51.33 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.425 1.09 . . . . 0.0 111.759 177.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -128.31 99.25 5.36 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.644 1.178 . . . . 0.0 110.794 177.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.409 ' CE2' ' HB3' ' A' ' 122' ' ' ARG . 37.9 m0 -89.47 81.21 6.59 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 125.522 1.529 . . . . 0.0 110.377 -176.526 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -72.43 115.67 11.97 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 122.971 0.508 . . . . 0.0 110.321 179.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 95.2 mt -135.67 166.58 22.91 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.176 1.79 . . . . 0.0 110.154 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -69.81 176.23 3.78 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.684 0.794 . . . . 0.0 112.197 177.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -117.64 97.88 51.18 Favored Pre-proline 0 CA--C 1.545 0.771 0 C-N-CA 124.463 1.105 . . . . 0.0 112.018 -169.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -70.59 -14.99 33.94 Favored 'Trans proline' 0 C--N 1.357 1.017 0 C-N-CA 123.785 2.99 . . . . 0.0 116.612 -171.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -55.11 106.99 0.26 Allowed 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.453 1.501 . . . . 0.0 111.846 -178.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 78.91 14.57 81.86 Favored Glycine 0 CA--C 1.539 1.57 0 N-CA-C 115.203 0.841 . . . . 0.0 115.203 -178.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -90.09 -99.93 0.1 Allowed 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 118.589 1.195 . . . . 0.0 111.049 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.7 t -157.12 166.03 34.4 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 125.707 1.603 . . . . 0.0 110.066 172.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 42.9 mt -59.62 -39.19 83.47 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 124.207 1.003 . . . . 0.0 112.37 178.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -59.04 -35.17 72.85 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.61 -0.681 . . . . 0.0 112.339 174.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 92.5 t -73.73 -38.94 52.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 O-C-N 121.413 -0.804 . . . . 0.0 111.081 175.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -60.39 -46.66 89.2 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 118.705 0.684 . . . . 0.0 111.598 171.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -60.98 -39.34 89.24 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.61 1.164 . . . . 0.0 111.815 176.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 58.8 m -64.29 -39.59 94.23 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.283 1.033 . . . . 0.0 112.118 177.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 53.2 t -72.22 -47.09 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 O-C-N 121.411 -0.805 . . . . 0.0 111.387 172.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -49.96 -49.71 49.28 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 126.473 1.909 . . . . 0.0 112.712 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -62.66 -34.59 90.05 Favored Glycine 0 N--CA 1.476 1.329 0 C-N-CA 123.716 0.674 . . . . 0.0 113.523 -179.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -78.0 -43.38 29.68 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 121.915 -0.756 . . . . 0.0 111.635 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 58.0 t -56.22 -43.0 75.22 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 O-C-N 121.014 -1.054 . . . . 0.0 111.218 170.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -57.87 -54.86 42.18 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.206 1.002 . . . . 0.0 111.654 174.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -65.41 -35.09 79.9 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -174.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.409 ' HB3' ' CE2' ' A' ' 99' ' ' TRP . 28.7 mmm180 -64.62 -43.76 92.69 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 119.338 0.972 . . . . 0.0 111.065 173.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 20.5 t -58.81 -50.0 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-N 119.497 1.044 . . . . 0.0 113.208 171.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -61.06 -34.92 75.66 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 120.376 1.444 . . . . 0.0 112.417 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.91 -26.79 61.54 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 176.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 52.9 tp -82.82 -45.19 14.61 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.551 1.141 . . . . 0.0 111.956 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 9.6 pt -64.08 -28.89 45.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 O-C-N 120.759 -1.213 . . . . 0.0 112.718 -178.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.08 -21.8 64.04 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 173.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -85.58 -45.7 11.5 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.252 1.421 . . . . 0.0 112.875 175.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.329 1.8 pp -103.12 3.6 10.66 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 N-CA-C 116.375 1.991 . . . . 0.0 116.375 -171.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 42.7 t . . . . . 0 C--O 1.257 1.49 0 CA-C-N 119.94 1.246 . . . . 0.0 111.416 169.464 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.458 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 55.9 ttm . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 111.559 0.207 . . . . 0.0 111.559 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -128.82 165.52 20.83 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 126.121 1.768 . . . . 0.0 110.499 169.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -106.93 139.72 40.88 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.898 1.279 . . . . 0.0 110.886 -176.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.7 t -123.34 140.81 45.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 124.442 1.097 . . . . 0.0 109.941 177.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.1 tpp -133.65 133.95 42.57 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 124.001 0.921 . . . . 0.0 110.174 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -106.4 134.29 49.77 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.083 0.953 . . . . 0.0 111.049 -176.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.4 t -113.43 126.29 70.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 126.695 1.998 . . . . 0.0 109.949 173.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.6 t -122.67 170.78 9.7 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.772 1.629 . . . . 0.0 109.608 170.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.61 -46.44 66.26 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 120.614 -1.304 . . . . 0.0 112.324 -174.161 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.318 0.3 OUTLIER -121.33 8.7 10.26 Favored 'General case' 0 N--CA 1.499 1.98 0 N-CA-C 116.494 2.035 . . . . 0.0 116.494 173.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 54.33 30.47 12.64 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 127.047 2.139 . . . . 0.0 115.662 178.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.3 p -94.81 -45.62 7.24 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.166 1.386 . . . . 0.0 112.781 -178.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.0 t -127.25 -174.24 3.11 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.596 1.958 . . . . 0.0 109.927 177.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 59.65 -75.88 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 126.66 1.984 . . . . 0.0 114.376 -175.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.9 p -63.06 -33.74 76.09 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 125.076 1.351 . . . . 0.0 112.84 -175.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 -69.14 -36.09 77.07 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 121.674 -0.641 . . . . 0.0 111.625 177.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 56.5 mtt -69.28 -36.64 77.27 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.528 0.731 . . . . 0.0 111.37 171.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.51 -43.06 95.26 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.397 0.679 . . . . 0.0 111.278 179.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -62.94 -41.94 99.65 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 118.783 -0.627 . . . . 0.0 111.123 169.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.05 -47.87 77.54 Favored Glycine 0 N--CA 1.473 1.124 0 C-N-CA 124.337 0.97 . . . . 0.0 114.375 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -69.82 -45.49 67.74 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.206 -1.173 . . . . 0.0 111.697 175.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.75 -41.0 92.66 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 -177.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -67.03 -25.04 66.08 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 119.429 1.013 . . . . 0.0 113.34 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.7 m -86.63 -56.95 3.18 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.304 1.441 . . . . 0.0 112.59 175.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 74.6 mt -81.66 -27.45 34.05 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.943 1.297 . . . . 0.0 112.199 -171.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -97.74 7.08 62.96 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 126.183 1.849 . . . . 0.0 114.469 176.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.64 114.65 1.32 Allowed 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 119.903 1.852 . . . . 0.0 112.343 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.08 -14.44 57.29 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.563 1.078 . . . . 0.0 114.496 -178.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.458 ' O ' ' HA ' ' A' ' 1' ' ' MET . 10.9 mtpt -89.46 -38.58 13.95 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.02 1.328 . . . . 0.0 111.245 169.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 pp -140.46 173.29 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 124.414 1.085 . . . . 0.0 113.768 -175.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.12 142.07 50.63 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.32 1.448 . . . . 0.0 108.41 168.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -139.27 151.34 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 -169.217 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.9 m -140.76 145.76 36.82 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.516 1.527 . . . . 0.0 110.26 178.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.4 t -112.41 136.37 51.97 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.939 1.696 . . . . 0.0 111.91 172.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 14.0 p -150.24 -178.36 6.47 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.527 1.531 . . . . 0.0 112.323 176.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -152.78 167.12 31.54 Favored Glycine 0 N--CA 1.467 0.733 0 O-C-N 120.188 -1.57 . . . . 0.0 113.095 169.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.476 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -63.74 -17.78 63.36 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 118.168 0.984 . . . . 0.0 112.691 172.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -139.49 163.43 32.55 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 127.118 2.167 . . . . 0.0 108.275 168.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.7 p -140.32 129.02 23.04 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.742 0.817 . . . . 0.0 111.949 -178.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 35.8 t -117.35 -89.15 0.59 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.196 0.999 . . . . 0.0 111.637 177.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.76 155.49 33.15 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.932 2.093 . . . . 0.0 109.746 174.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.6 t -60.67 132.82 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 CA-C-N 119.804 1.184 . . . . 0.0 109.048 172.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -66.69 123.91 87.09 Favored Pre-proline 0 C--O 1.233 0.215 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 175.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -68.41 -26.0 35.23 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 CA-C-N 120.361 1.165 . . . . 0.0 111.85 -169.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.0 m -70.04 -28.81 65.77 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.243 -0.91 . . . . 0.0 111.749 173.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.47 -45.72 93.04 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 120.542 -1.349 . . . . 0.0 111.672 173.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.3 mt -57.28 -47.21 84.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 123.356 0.663 . . . . 0.0 110.161 172.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.58 -35.08 75.21 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 10.4 mmt -76.52 -33.88 58.58 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.258 1.023 . . . . 0.0 111.814 178.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 87.3 mmm -68.41 -29.95 68.74 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.334 -0.854 . . . . 0.0 111.97 170.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -68.1 -19.89 64.89 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 121.17 -0.957 . . . . 0.0 113.081 173.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -62.42 -29.07 70.23 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 119.965 1.257 . . . . 0.0 112.823 173.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 31.2 m -103.13 11.24 8.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 125.278 1.431 . . . . 0.0 112.493 176.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.43 18.33 76.86 Favored Glycine 0 CA--C 1.538 1.52 0 C-N-CA 124.723 1.154 . . . . 0.0 115.004 178.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 62.6 mt -98.71 136.22 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 125.017 1.327 . . . . 0.0 109.714 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -106.82 123.49 48.23 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.445 0.698 . . . . 0.0 112.012 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 11.2 pt -121.87 14.36 5.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.06 1.344 . . . . 0.0 112.716 169.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.0 m -63.59 -27.35 69.19 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 120.761 -1.212 . . . . 0.0 113.345 -174.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -79.25 -0.59 83.64 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 124.925 1.25 . . . . 0.0 115.089 176.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -87.62 154.27 20.73 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 119.219 1.509 . . . . 0.0 110.738 176.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 24.8 p -146.84 152.89 39.46 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 129.068 2.947 . . . . 0.0 105.122 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 36.5 m -78.59 141.8 37.78 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 121.475 -0.766 . . . . 0.0 112.599 -171.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -140.31 146.64 46.56 Favored Pre-proline 0 N--CA 1.478 0.951 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -89.65 147.0 4.96 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.457 2.771 . . . . 0.0 113.472 -171.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.2 tt -55.01 -35.54 35.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 126.555 1.942 . . . . 0.0 111.757 177.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -60.56 -23.76 64.89 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.926 1.291 . . . . 0.0 114.449 -178.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.43 -13.37 35.05 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 178.154 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -97.06 170.88 8.83 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.06 1.344 . . . . 0.0 113.797 -169.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -120.96 88.2 2.89 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.085 1.354 . . . . 0.0 113.034 -169.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.49 -34.26 24.46 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -177.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -60.71 -24.57 65.76 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 -177.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -98.11 5.49 48.56 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 177.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -109.92 99.55 8.66 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.16 0.984 . . . . 0.0 108.495 175.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -54.41 -33.08 58.68 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.674 -0.641 . . . . 0.0 111.945 178.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 40.4 t -126.16 137.23 58.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 C-N-CA 124.775 1.23 . . . . 0.0 111.128 173.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 49.7 t -120.67 138.38 51.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.016 0.926 . . . . 0.0 109.48 169.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 28.5 mm -126.29 124.73 66.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 124.224 1.01 . . . . 0.0 109.248 -177.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.6 t -93.01 143.83 25.85 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 168.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.9 mp -131.47 32.53 4.17 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 125.363 1.465 . . . . 0.0 109.695 175.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 58.7 m -93.34 -56.15 3.04 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 -169.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 134.92 -179.88 17.19 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 125.153 1.358 . . . . 0.0 112.06 -169.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 66.4 m -63.03 -22.14 66.65 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 115.298 1.592 . . . . 0.0 115.298 -173.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -73.41 -0.42 53.41 Favored Glycine 0 CA--C 1.539 1.569 0 N-CA-C 115.647 1.019 . . . . 0.0 115.647 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 43.2 t -129.68 129.38 66.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 125.304 1.441 . . . . 0.0 111.258 -170.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -131.52 -6.24 3.71 Favored 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 115.405 1.632 . . . . 0.0 115.405 -176.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 61.7 mt 42.45 65.58 4.96 Favored Pre-proline 0 N--CA 1.484 1.255 0 C-N-CA 125.993 1.717 . . . . 0.0 114.863 -176.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -50.27 -28.88 21.53 Favored 'Trans proline' 0 CA--C 1.553 1.427 0 C-N-CA 123.627 2.885 . . . . 0.0 119.202 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -76.37 -160.58 0.11 Allowed 'Trans proline' 0 CA--C 1.546 1.124 0 C-N-CA 122.637 2.225 . . . . 0.0 114.674 -177.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -59.22 -8.0 1.44 Allowed 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 115.163 1.542 . . . . 0.0 115.163 175.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -59.3 -15.49 16.24 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.844 1.658 . . . . 0.0 114.671 171.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.1 m -117.93 3.26 7.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 174.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 40.9 p -97.78 7.99 45.46 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.384 1.074 . . . . 0.0 113.307 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -76.72 -174.56 3.05 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.684 1.194 . . . . 0.0 111.397 176.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -65.48 -38.99 91.4 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 120.57 -1.331 . . . . 0.0 112.089 -171.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 44.5 mt -141.69 137.03 31.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 125.408 1.483 . . . . 0.0 109.003 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -128.75 134.47 48.43 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.251 1.02 . . . . 0.0 109.772 169.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -133.48 156.45 47.72 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.63 1.172 . . . . 0.0 111.709 177.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -129.68 93.65 3.57 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.519 1.128 . . . . 0.0 110.977 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 32.8 m0 -90.56 77.11 6.48 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.822 1.649 . . . . 0.0 110.924 -176.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -68.36 130.3 42.47 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 121.722 -0.611 . . . . 0.0 110.868 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 57.7 mt -141.46 170.73 15.17 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.109 1.764 . . . . 0.0 110.094 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -72.64 177.65 4.6 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.779 0.832 . . . . 0.0 112.307 173.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -116.07 99.3 52.51 Favored Pre-proline 0 CA--C 1.542 0.649 0 O-C-N 120.755 -1.216 . . . . 0.0 112.034 -175.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -67.28 -15.47 46.0 Favored 'Trans proline' 0 C--N 1.354 0.858 0 C-N-CA 124.003 3.135 . . . . 0.0 116.346 -176.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -54.76 107.53 0.3 Allowed 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.778 1.231 . . . . 0.0 111.965 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 79.96 15.18 79.57 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 124.167 0.889 . . . . 0.0 115.058 -178.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -93.17 -99.77 0.13 Allowed 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 118.536 1.168 . . . . 0.0 111.771 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 59.7 p -156.99 162.86 39.59 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 126.463 1.905 . . . . 0.0 110.566 178.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 49.3 mt -63.96 -36.49 84.14 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 121.582 -0.699 . . . . 0.0 111.748 177.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -59.06 -38.64 79.88 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.567 -0.708 . . . . 0.0 112.554 172.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.4 t -70.81 -39.18 75.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 O-C-N 121.271 -0.893 . . . . 0.0 111.733 173.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -59.58 -45.66 91.2 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 119.341 0.973 . . . . 0.0 111.762 171.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 80.6 mtt180 -61.79 -39.67 92.54 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.762 1.225 . . . . 0.0 112.026 176.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 69.1 m -63.12 -37.37 86.93 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.419 1.088 . . . . 0.0 111.816 177.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 38.4 t -72.94 -48.88 42.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 O-C-N 121.4 -0.812 . . . . 0.0 111.323 170.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 60.1 ttp85 -50.83 -48.67 59.77 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.956 1.702 . . . . 0.0 112.571 -178.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -63.31 -36.32 93.25 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 123.503 0.573 . . . . 0.0 113.906 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -77.16 -42.47 37.63 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 118.04 0.92 . . . . 0.0 111.789 178.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 54.2 t -56.99 -41.99 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 O-C-N 121.287 -0.883 . . . . 0.0 111.365 171.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -57.81 -56.77 17.61 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.895 0.878 . . . . 0.0 111.644 173.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -63.46 -36.52 84.01 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -174.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 15.5 mmp_? -63.45 -45.38 91.12 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 118.828 0.74 . . . . 0.0 110.767 175.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 24.1 t -60.35 -48.22 89.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 CA-C-O 117.944 -1.027 . . . . 0.0 113.295 172.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -60.78 -34.96 75.27 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 120.685 1.584 . . . . 0.0 112.161 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.26 -26.61 61.17 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 177.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 57.4 tp -79.75 -49.85 11.44 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 124.567 1.147 . . . . 0.0 112.139 176.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 8.9 pt -63.3 -27.15 42.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 O-C-N 121.196 -0.94 . . . . 0.0 112.322 -177.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.64 -17.92 63.55 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 176.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -103.17 -33.98 9.01 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 115.283 1.586 . . . . 0.0 115.283 175.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.317 2.0 pp -99.46 5.62 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 N-CA-C 115.818 1.784 . . . . 0.0 115.818 179.34 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 61.0 p . . . . . 0 C--O 1.255 1.35 0 CA-C-N 119.8 1.182 . . . . 0.0 113.617 169.899 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.466 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 51.7 ttm . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -129.22 165.83 20.58 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 126.226 1.81 . . . . 0.0 110.496 169.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -107.58 141.37 39.15 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.052 1.341 . . . . 0.0 110.682 -175.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.7 t -125.06 141.23 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 123.983 0.913 . . . . 0.0 110.092 177.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 7.3 tpp -132.87 136.04 45.96 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.094 0.958 . . . . 0.0 110.532 178.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -113.37 110.74 20.82 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.761 1.224 . . . . 0.0 111.495 -174.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.4 t -87.63 145.84 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 126.653 1.981 . . . . 0.0 111.482 171.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.9 t -144.54 -175.96 4.86 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.749 2.019 . . . . 0.0 107.677 168.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -63.45 -66.02 0.6 Allowed 'General case' 0 N--CA 1.487 1.377 0 CA-C-N 121.362 1.892 . . . . 0.0 111.256 173.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.73 2.82 16.2 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 116.121 1.897 . . . . 0.0 116.121 -170.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 53.18 32.51 13.41 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 127.298 2.239 . . . . 0.0 114.542 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.7 p -85.53 -40.54 16.21 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.736 1.214 . . . . 0.0 112.648 -177.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.1 t -137.1 -153.08 0.47 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 127.184 2.194 . . . . 0.0 109.318 178.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 48.49 -88.96 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.877 0 C-N-CA 126.896 2.078 . . . . 0.0 113.454 177.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.8 p -44.84 -38.77 4.79 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 126.788 2.035 . . . . 0.0 114.857 170.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -67.85 -38.95 83.82 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 121.642 -0.661 . . . . 0.0 112.193 175.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 40.5 mtt -65.88 -35.18 79.93 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 121.16 -0.963 . . . . 0.0 111.549 172.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.63 -45.05 88.48 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.721 -0.612 . . . . 0.0 111.635 177.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -62.76 -39.4 94.03 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.843 -0.535 . . . . 0.0 110.737 169.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.85 -45.2 80.87 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 125.765 1.65 . . . . 0.0 114.888 175.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -82.48 -38.57 23.7 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.407 1.603 . . . . 0.0 112.898 175.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.11 -33.43 75.45 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 120.922 -1.111 . . . . 0.0 112.71 -178.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -64.39 -29.61 70.67 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 119.469 1.032 . . . . 0.0 113.214 177.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.6 p -91.55 -54.83 3.73 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.218 1.407 . . . . 0.0 112.841 177.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.0 mt -74.51 -24.36 58.97 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.962 1.305 . . . . 0.0 112.539 -175.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -101.37 6.27 55.65 Favored Glycine 0 CA--C 1.53 0.969 0 C-N-CA 126.254 1.883 . . . . 0.0 114.92 176.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.99 114.02 1.58 Allowed 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 119.876 1.838 . . . . 0.0 112.552 -176.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.5 -12.59 58.53 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.454 1.026 . . . . 0.0 114.338 -178.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.466 ' O ' ' HA ' ' A' ' 1' ' ' MET . 30.1 mtpt -88.61 -42.26 12.14 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.585 1.554 . . . . 0.0 110.824 169.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.3 pp -139.97 174.0 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.906 1.282 . . . . 0.0 113.237 -174.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -129.08 140.55 51.54 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.178 1.391 . . . . 0.0 108.637 168.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.41 152.25 27.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 -169.341 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.9 m -146.33 152.23 38.78 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.833 1.653 . . . . 0.0 109.455 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 83.8 p -125.42 150.91 46.85 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 120.687 -1.258 . . . . 0.0 111.37 169.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 16.3 p -154.66 -178.42 7.17 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.797 1.239 . . . . 0.0 111.226 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -146.09 163.95 28.32 Favored Glycine 0 C--O 1.224 -0.484 0 O-C-N 120.896 -1.128 . . . . 0.0 112.707 169.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.469 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -64.77 -13.89 56.93 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 118.54 1.17 . . . . 0.0 113.125 176.113 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -141.33 173.55 11.39 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 127.173 2.189 . . . . 0.0 108.82 168.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.3 t -132.71 142.14 48.91 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 121.049 -1.032 . . . . 0.0 111.188 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.7 t -130.39 -96.13 0.37 Allowed 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.409 1.084 . . . . 0.0 111.015 171.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.47 153.96 31.12 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 126.434 1.894 . . . . 0.0 110.577 173.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.1 t -60.04 136.61 23.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-N 118.291 0.496 . . . . 0.0 110.733 169.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -77.73 130.72 72.66 Favored Pre-proline 0 CA--C 1.533 0.306 0 CA-C-O 118.89 -0.576 . . . . 0.0 109.527 178.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -70.69 -26.4 23.23 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 CA-C-N 120.384 1.173 . . . . 0.0 112.117 -169.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 58.4 m -71.93 -24.75 61.68 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.304 -0.872 . . . . 0.0 111.832 174.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.95 -48.15 82.54 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 120.857 -1.152 . . . . 0.0 111.267 172.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.0 mt -59.69 -46.9 92.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 123.601 0.761 . . . . 0.0 110.082 175.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.99 -37.46 79.71 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 12.7 mmt -75.78 -28.78 58.54 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.372 1.069 . . . . 0.0 112.19 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 84.9 mmm -76.05 -30.16 58.29 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 118.882 0.764 . . . . 0.0 111.809 169.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -68.12 -23.37 64.89 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 120.97 -1.081 . . . . 0.0 112.651 174.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -62.29 -29.32 70.35 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 119.785 1.175 . . . . 0.0 112.632 173.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.8 m -101.18 10.51 7.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 125.394 1.478 . . . . 0.0 112.442 176.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.71 22.39 77.18 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 125.092 1.33 . . . . 0.0 115.271 176.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 54.5 mt -108.91 142.3 21.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 125.348 1.459 . . . . 0.0 110.672 -175.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -109.59 122.14 46.78 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.651 1.18 . . . . 0.0 113.238 -178.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.6 pt -126.69 20.7 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.329 1.452 . . . . 0.0 112.204 169.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.2 t -72.7 -30.61 64.36 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 120.817 -1.177 . . . . 0.0 112.79 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.24 7.56 36.89 Favored Glycine 0 CA--C 1.538 1.522 0 C-N-CA 125.21 1.386 . . . . 0.0 115.564 177.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -133.93 148.6 51.21 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.083 1.753 . . . . 0.0 110.226 -179.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.0 t -142.15 -176.4 4.8 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 124.443 1.097 . . . . 0.0 109.387 177.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.8 m -56.23 137.06 52.65 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 124.191 0.997 . . . . 0.0 113.322 177.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -142.64 146.93 40.37 Favored Pre-proline 0 CA--C 1.552 1.024 0 C-N-CA 124.737 1.215 . . . . 0.0 112.743 169.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -87.55 146.65 7.19 Favored 'Trans proline' 0 CA--C 1.542 0.884 0 C-N-CA 123.614 2.876 . . . . 0.0 114.238 -172.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.7 tt -56.91 -35.63 47.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 126.714 2.006 . . . . 0.0 112.233 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -63.5 -22.05 66.67 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -177.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.24 -12.7 45.94 Favored 'General case' 0 CA--C 1.553 1.065 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 175.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -100.32 173.08 6.76 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.086 1.355 . . . . 0.0 113.468 -170.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -128.18 90.03 3.01 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.083 1.353 . . . . 0.0 112.819 -169.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.47 -32.15 57.17 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -179.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -56.85 -24.59 52.48 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.29 1.436 . . . . 0.0 114.133 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -101.23 5.75 42.68 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.565 1.146 . . . . 0.0 113.484 176.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -110.41 97.09 6.62 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.426 1.09 . . . . 0.0 108.834 174.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -53.0 -34.72 57.6 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 121.796 -0.565 . . . . 0.0 111.905 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 47.7 t -121.88 138.18 53.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 C-N-CA 124.593 1.157 . . . . 0.0 111.001 173.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 62.4 t -123.45 135.81 62.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 123.991 0.916 . . . . 0.0 110.06 170.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 22.5 mm -121.15 136.46 58.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 124.615 1.166 . . . . 0.0 108.923 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.7 t -103.0 139.81 38.08 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 123.953 0.901 . . . . 0.0 109.684 169.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.6 mp -131.76 40.71 3.35 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 126.131 1.772 . . . . 0.0 109.886 178.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 75.0 m -89.42 -43.97 10.5 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.697 0.799 . . . . 0.0 113.063 -173.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 83.2 73.1 1.25 Allowed Glycine 0 CA--C 1.534 1.252 0 C-N-CA 123.85 0.738 . . . . 0.0 112.705 -172.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 76.7 m 60.03 174.35 0.09 Allowed 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 126.315 1.846 . . . . 0.0 114.318 -173.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 76.08 3.41 75.26 Favored Glycine 0 CA--C 1.537 1.465 0 N-CA-C 115.531 0.972 . . . . 0.0 115.531 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 59.4 t -141.8 135.04 29.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 126.1 1.76 . . . . 0.0 109.842 -172.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -140.22 1.87 1.84 Allowed 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 115.532 1.678 . . . . 0.0 115.532 175.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 49.2 mt 42.48 65.73 4.85 Favored Pre-proline 0 CA--C 1.556 1.212 0 C-N-CA 126.562 1.945 . . . . 0.0 115.116 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -50.35 -28.88 21.95 Favored 'Trans proline' 0 CA--C 1.554 1.521 0 C-N-CA 123.67 2.913 . . . . 0.0 119.127 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -76.58 -158.89 0.09 OUTLIER 'Trans proline' 0 CA--C 1.549 1.245 0 C-N-CA 122.647 2.232 . . . . 0.0 114.993 -176.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -52.05 -14.73 0.44 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 126.115 1.766 . . . . 0.0 115.122 172.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -59.28 -16.1 19.64 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 126.358 1.863 . . . . 0.0 115.053 174.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 32.9 m -120.66 3.56 6.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 124.602 1.161 . . . . 0.0 114.102 174.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 45.9 p -91.95 1.49 57.15 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.932 0.893 . . . . 0.0 113.331 177.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 76.5 mm-40 -76.53 176.83 7.94 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.096 1.358 . . . . 0.0 112.018 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -64.57 -37.96 89.37 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 121.479 -0.763 . . . . 0.0 112.808 -169.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 36.2 mt -137.06 134.26 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 124.259 1.024 . . . . 0.0 109.996 173.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -126.97 132.91 50.7 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.326 1.05 . . . . 0.0 109.956 168.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -135.82 155.04 50.95 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.479 1.112 . . . . 0.0 112.229 177.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -123.53 95.84 4.74 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.569 1.147 . . . . 0.0 110.676 176.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 44.1 m0 -89.41 83.24 6.38 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.74 1.616 . . . . 0.0 110.269 -177.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -70.75 115.87 10.41 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.862 -0.524 . . . . 0.0 111.177 -175.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 82.4 mt -142.09 149.54 40.01 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 126.473 1.909 . . . . 0.0 108.007 177.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -69.15 155.63 40.06 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.723 0.773 . . . . 0.0 112.076 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -85.27 114.89 58.82 Favored Pre-proline 0 CA--C 1.548 0.899 0 CA-C-O 118.696 -0.669 . . . . 0.0 110.793 178.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -71.95 -11.08 27.09 Favored 'Trans proline' 0 C--N 1.355 0.897 0 C-N-CA 122.933 2.422 . . . . 0.0 116.262 -171.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -50.77 112.15 0.66 Allowed 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.357 1.463 . . . . 0.0 112.166 178.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.98 14.59 78.67 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 124.162 0.887 . . . . 0.0 114.622 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -85.6 -95.74 0.07 Allowed 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 118.527 1.164 . . . . 0.0 110.962 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.2 m -164.87 159.6 18.51 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 127.074 2.15 . . . . 0.0 109.407 175.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 57.1 mt -62.51 -37.71 87.09 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 121.003 -1.061 . . . . 0.0 112.225 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -60.56 -29.88 69.44 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 121.298 -0.876 . . . . 0.0 112.926 173.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 82.4 t -74.94 -41.91 46.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 O-C-N 121.415 -0.803 . . . . 0.0 110.762 173.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -58.55 -45.62 88.54 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.311 0.96 . . . . 0.0 111.214 172.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 -64.41 -39.52 94.0 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.546 1.138 . . . . 0.0 112.259 177.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 40.6 m -63.3 -37.76 88.51 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.143 0.977 . . . . 0.0 111.868 175.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 55.5 t -73.3 -48.55 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 123.756 0.822 . . . . 0.0 110.91 174.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -50.01 -50.14 48.28 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 126.534 1.934 . . . . 0.0 112.563 178.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -62.6 -39.6 98.09 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 123.331 0.491 . . . . 0.0 113.318 -178.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -75.01 -40.93 60.32 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.849 -0.795 . . . . 0.0 111.833 178.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 91.1 t -57.63 -45.22 86.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 O-C-N 121.247 -0.908 . . . . 0.0 111.348 170.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -57.91 -54.65 44.55 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.133 0.973 . . . . 0.0 111.285 175.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -64.34 -37.49 87.68 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 118.541 -0.742 . . . . 0.0 112.211 -175.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 47.7 mtt180 -67.66 -37.46 82.42 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 117.87 -1.062 . . . . 0.0 111.926 175.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 19.2 t -61.31 -49.47 84.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 CA-C-N 119.916 1.235 . . . . 0.0 112.331 169.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -61.43 -36.01 79.18 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 120.425 1.466 . . . . 0.0 112.456 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -71.99 -30.18 64.98 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 177.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 50.8 tp -76.17 -51.71 11.59 Favored 'General case' 0 C--N 1.339 0.109 0 C-N-CA 123.874 0.87 . . . . 0.0 111.507 177.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 6.4 pt -61.09 -33.19 54.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-N 119.223 0.92 . . . . 0.0 111.877 -175.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.82 -21.7 66.84 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 175.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -84.64 -40.22 17.7 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.763 1.225 . . . . 0.0 113.092 174.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.0 pp -108.38 -0.77 9.83 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 N-CA-C 116.44 2.015 . . . . 0.0 116.44 -169.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 41.4 m . . . . . 0 C--O 1.256 1.4 0 C-N-CA 124.155 0.982 . . . . 0.0 112.915 175.426 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.463 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 55.3 ttm . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 111.554 0.205 . . . . 0.0 111.554 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -129.31 162.92 26.84 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 126.275 1.83 . . . . 0.0 110.331 169.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.432 ' HE2' ' O ' ' A' ' 72' ' ' ASP . 1.6 mppt? -107.0 140.4 39.87 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.402 1.081 . . . . 0.0 111.533 -175.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.2 t -120.84 141.44 41.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 124.315 1.046 . . . . 0.0 109.945 178.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.2 tpp -133.58 136.45 44.92 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 123.843 0.857 . . . . 0.0 110.092 177.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -108.47 136.92 47.28 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.538 1.135 . . . . 0.0 111.58 -175.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.3 t -118.44 133.65 64.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 126.533 1.933 . . . . 0.0 110.854 175.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 45.1 t -137.97 178.41 7.14 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 125.153 1.381 . . . . 0.0 111.643 174.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -53.08 -56.85 13.08 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 126.343 1.857 . . . . 0.0 113.698 -176.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -133.59 14.33 4.07 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 125.481 1.512 . . . . 0.0 114.52 -178.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.255 7.8 t-20 51.35 38.9 22.9 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 127.467 2.307 . . . . 0.0 114.686 -174.382 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.5 p -91.59 -43.23 9.77 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.235 1.414 . . . . 0.0 113.166 177.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.0 t -139.56 -175.71 4.29 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.922 1.689 . . . . 0.0 110.744 -175.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 57.56 -80.18 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 126.968 2.107 . . . . 0.0 112.949 -173.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.2 p -46.19 -46.17 17.27 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 127.271 2.229 . . . . 0.0 113.929 176.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -66.17 -36.7 83.79 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.61 1.164 . . . . 0.0 112.088 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 54.5 mtt -68.82 -35.55 77.11 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.81 0.844 . . . . 0.0 111.78 170.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.26 -40.56 96.23 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.552 0.741 . . . . 0.0 111.59 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -63.8 -39.76 95.02 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 119.091 -0.481 . . . . 0.0 111.267 169.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.38 -49.89 65.92 Favored Glycine 0 CA--C 1.528 0.877 0 C-N-CA 123.96 0.79 . . . . 0.0 114.071 174.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -70.78 -45.36 64.86 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 118.463 1.131 . . . . 0.0 112.127 176.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.97 -39.69 93.86 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -177.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -67.65 -25.32 65.66 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 119.494 1.043 . . . . 0.0 113.266 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.4 m -86.95 -54.24 4.45 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.448 1.499 . . . . 0.0 112.619 177.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 71.8 mt -83.9 -28.91 27.57 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.183 1.393 . . . . 0.0 112.354 -172.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -96.18 6.58 66.32 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 126.37 1.938 . . . . 0.0 114.476 176.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.58 113.44 0.89 Allowed 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 119.679 1.739 . . . . 0.0 112.365 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.72 -15.02 56.93 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.585 1.088 . . . . 0.0 114.341 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 1' ' ' MET . 9.0 mtpt -88.52 -38.19 15.14 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.984 1.313 . . . . 0.0 111.224 169.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 pp -141.4 174.1 7.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 124.313 1.045 . . . . 0.0 113.458 -174.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -132.48 144.96 50.82 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.378 1.471 . . . . 0.0 108.481 168.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -138.42 151.68 24.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 N-CA-C 114.911 1.449 . . . . 0.0 114.911 -169.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.6 m -138.96 149.25 44.53 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.788 1.635 . . . . 0.0 109.406 175.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.3 t -119.36 138.48 53.03 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.246 1.418 . . . . 0.0 111.929 174.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 13.8 p -152.15 -176.45 5.67 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.326 1.451 . . . . 0.0 112.551 177.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -151.49 172.42 30.97 Favored Glycine 0 N--CA 1.469 0.841 0 O-C-N 120.32 -1.487 . . . . 0.0 111.456 171.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.434 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -63.38 -13.5 40.2 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 119.623 1.712 . . . . 0.0 113.457 175.383 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -153.01 166.15 33.33 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 127.095 2.158 . . . . 0.0 109.866 169.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.8 p -107.67 152.71 23.95 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.087 1.355 . . . . 0.0 111.944 175.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.3 t -139.06 -82.7 0.28 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.141 1.376 . . . . 0.0 110.295 169.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.85 158.28 17.17 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 126.931 2.092 . . . . 0.0 110.068 169.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.6 t -60.42 136.7 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 CA-C-N 120.104 1.32 . . . . 0.0 108.603 169.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -67.9 124.58 89.83 Favored Pre-proline 0 N--CA 1.467 0.377 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 173.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -67.5 -26.23 40.59 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 CA-C-N 120.493 1.212 . . . . 0.0 112.117 -169.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 40.4 m -70.34 -27.96 64.76 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.692 0.797 . . . . 0.0 112.218 173.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.68 -43.46 98.81 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 120.295 -1.503 . . . . 0.0 111.842 175.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.6 mt -60.74 -43.38 95.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 123.518 0.727 . . . . 0.0 110.383 174.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.72 -36.85 84.34 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 177.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 23.3 mmt -74.91 -30.4 61.26 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.247 1.419 . . . . 0.0 112.312 178.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 79.0 mmm -75.52 -30.29 59.75 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 119.071 0.851 . . . . 0.0 111.659 169.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -69.46 -19.85 63.76 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.128 -0.983 . . . . 0.0 113.432 173.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -63.42 -30.67 71.76 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.863 1.21 . . . . 0.0 112.223 171.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 30.9 m -100.88 10.53 7.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 125.524 1.53 . . . . 0.0 112.625 177.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.44 18.57 77.06 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 124.7 1.143 . . . . 0.0 115.281 177.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 60.5 mt -99.51 117.22 44.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 124.602 1.161 . . . . 0.0 109.323 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -86.24 119.01 26.06 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 112.235 0.458 . . . . 0.0 112.235 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.3 pt -121.99 13.91 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 125.185 1.394 . . . . 0.0 112.248 169.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 87.8 p -63.38 -21.9 66.56 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 120.627 -1.296 . . . . 0.0 113.988 -174.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.9 1.53 86.24 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 125.022 1.296 . . . . 0.0 115.474 173.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -76.95 154.54 33.49 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 119.913 1.856 . . . . 0.0 112.035 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 31.8 p -133.03 161.41 34.44 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 127.726 2.411 . . . . 0.0 107.907 169.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.6 p -90.56 141.91 28.29 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.321 -0.862 . . . . 0.0 113.127 175.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -138.79 146.68 51.23 Favored Pre-proline 0 N--CA 1.48 1.047 0 C-N-CA 124.494 1.118 . . . . 0.0 113.785 -177.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -88.65 147.63 6.02 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 124.094 3.196 . . . . 0.0 113.543 -176.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 11.2 tt -58.63 -37.88 67.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 126.737 2.015 . . . . 0.0 112.088 -177.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -68.87 -11.2 60.29 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 -174.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.6 -13.86 36.25 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 171.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -101.15 173.98 6.21 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 114.306 1.224 . . . . 0.0 114.306 -169.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -116.8 86.33 2.48 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.775 2.03 . . . . 0.0 112.263 -171.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.36 -33.94 31.82 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 121.308 -0.87 . . . . 0.0 113.021 177.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -56.36 -29.12 60.98 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.861 1.664 . . . . 0.0 114.477 -178.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.432 ' O ' ' HE2' ' A' ' 3' ' ' LYS . 34.1 t70 -84.59 -28.15 26.75 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 176.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -82.93 92.55 7.34 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.033 0.933 . . . . 0.0 109.689 -173.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -47.08 -35.77 7.37 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.786 1.234 . . . . 0.0 111.8 177.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 46.4 t -126.08 136.46 60.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 C-N-CA 124.247 1.019 . . . . 0.0 111.27 173.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.2 t -120.03 138.31 51.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 123.852 0.861 . . . . 0.0 109.415 169.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 31.8 mm -124.45 127.56 73.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 124.605 1.162 . . . . 0.0 109.109 -178.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.0 t -96.64 140.97 30.46 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.194 0.521 . . . . 0.0 109.624 169.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 mp -131.34 42.31 3.22 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.688 1.595 . . . . 0.0 108.528 178.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 26.4 p -78.9 -37.45 39.95 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 -169.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.61 44.39 9.41 Favored Glycine 0 CA--C 1.536 1.355 0 CA-C-N 118.251 0.478 . . . . 0.0 112.068 -169.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 4.1 t 63.94 177.95 0.17 Allowed 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 126.074 1.75 . . . . 0.0 112.944 -169.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 79.43 1.09 85.72 Favored Glycine 0 CA--C 1.538 1.492 0 O-C-N 120.863 -1.148 . . . . 0.0 115.458 -177.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 32.0 t -141.89 132.15 24.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 126.14 1.776 . . . . 0.0 109.362 -177.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -128.89 -5.83 5.05 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 -176.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 44.8 mt 44.22 65.17 6.26 Favored Pre-proline 0 CA--C 1.557 1.228 0 C-N-CA 126.025 1.73 . . . . 0.0 114.962 -177.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -51.43 -30.07 33.42 Favored 'Trans proline' 0 CA--C 1.554 1.477 0 C-N-CA 123.402 2.735 . . . . 0.0 119.043 178.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -77.49 -159.96 0.11 Allowed 'Trans proline' 0 CA--C 1.546 1.118 0 C-N-CA 122.526 2.151 . . . . 0.0 114.83 -175.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -56.55 -9.7 0.8 Allowed 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.793 1.637 . . . . 0.0 115.206 174.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -61.19 -15.39 33.58 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.652 1.581 . . . . 0.0 115.026 173.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 34.1 m -116.87 2.25 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 124.708 1.203 . . . . 0.0 113.678 174.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 40.0 p -95.41 3.53 54.24 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.471 1.109 . . . . 0.0 113.248 178.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -74.89 178.05 5.83 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.784 1.234 . . . . 0.0 112.016 177.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -65.28 -37.33 86.86 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.424 -0.798 . . . . 0.0 112.856 -169.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 26.1 mt -137.0 137.46 46.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 123.511 0.725 . . . . 0.0 110.329 170.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -128.15 131.81 48.94 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.662 1.185 . . . . 0.0 109.681 168.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -133.36 154.93 50.32 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.395 1.078 . . . . 0.0 111.78 176.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -125.15 106.25 9.76 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.776 1.23 . . . . 0.0 110.816 177.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 35.6 m0 -98.18 89.27 4.44 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.559 1.544 . . . . 0.0 110.042 -178.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -79.12 106.12 10.94 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.401 -0.812 . . . . 0.0 110.72 -177.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 52.9 mt -115.98 171.55 7.71 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.665 1.586 . . . . 0.0 111.885 -177.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 32.5 mp0 -61.26 167.28 3.25 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.323 1.849 . . . . 0.0 111.451 171.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -117.86 96.45 49.55 Favored Pre-proline 0 N--CA 1.476 0.854 0 C-N-CA 125.411 1.485 . . . . 0.0 109.966 -177.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -70.56 -14.85 33.93 Favored 'Trans proline' 0 C--N 1.355 0.902 0 C-N-CA 123.778 2.986 . . . . 0.0 118.02 -169.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -59.64 113.52 2.27 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.707 1.14 . . . . 0.0 112.095 -174.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 78.05 14.14 82.61 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 123.998 0.809 . . . . 0.0 114.335 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -89.85 -100.66 0.1 Allowed 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 118.148 0.974 . . . . 0.0 111.388 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 56.2 p -162.52 164.06 27.11 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 126.419 1.888 . . . . 0.0 110.013 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.442 HD22 ' H ' ' A' ' 109' ' ' LEU . 1.7 mm? -68.11 -28.29 67.2 Favored 'General case' 0 C--O 1.223 -0.308 0 C-N-CA 122.782 0.433 . . . . 0.0 111.465 -179.26 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -66.0 -37.42 85.9 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.567 0.747 . . . . 0.0 111.747 171.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 79.4 t -71.85 -37.58 62.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 O-C-N 121.079 -1.013 . . . . 0.0 111.472 174.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -60.77 -47.27 87.09 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.353 0.979 . . . . 0.0 111.422 169.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 58.6 mtp85 -60.55 -37.93 82.85 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.581 1.153 . . . . 0.0 112.029 176.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 51.3 m -61.82 -44.12 97.48 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.512 1.125 . . . . 0.0 111.719 174.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 46.6 t -67.75 -48.1 77.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 O-C-N 121.015 -1.053 . . . . 0.0 111.131 173.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 50.3 ttp180 -53.39 -47.37 69.57 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.336 1.455 . . . . 0.0 112.371 -178.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -62.39 -40.25 98.81 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 123.87 0.747 . . . . 0.0 113.022 179.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -69.67 -47.08 64.52 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.822 -0.81 . . . . 0.0 111.205 176.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 76.2 t -55.43 -46.09 78.48 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 CA-C-N 119.191 0.905 . . . . 0.0 111.397 173.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -56.94 -55.77 30.26 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.974 0.91 . . . . 0.0 111.111 177.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -39.29 94.02 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 118.392 -0.813 . . . . 0.0 111.481 -177.091 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -62.15 -43.53 98.63 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 119.188 0.904 . . . . 0.0 110.887 177.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 23.0 t -61.36 -49.96 82.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 CA-C-O 118.029 -0.986 . . . . 0.0 113.039 171.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -59.43 -36.39 75.8 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 120.707 1.594 . . . . 0.0 112.313 178.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -25.62 61.51 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 178.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 56.7 tp -80.66 -51.14 9.04 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.765 1.226 . . . . 0.0 112.032 175.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 9.0 pt -62.75 -27.96 43.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 CA-C-N 119.462 1.028 . . . . 0.0 112.204 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.74 -19.64 64.35 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 176.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -102.29 -32.77 9.88 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 115.34 1.607 . . . . 0.0 115.34 176.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.31 1.8 pp -101.34 5.13 10.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 N-CA-C 116.676 2.102 . . . . 0.0 116.676 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 60.3 p . . . . . 0 C--O 1.253 1.289 0 CA-C-N 119.617 1.099 . . . . 0.0 113.591 170.814 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.483 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 17.8 ttt . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 119.42 -0.324 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -129.82 167.65 17.78 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 125.198 1.399 . . . . 0.0 111.812 172.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -106.84 139.93 40.48 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.639 1.176 . . . . 0.0 111.282 -176.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.1 t -124.91 139.78 50.03 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 124.395 1.078 . . . . 0.0 109.796 178.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 5.3 tpp -132.98 136.19 45.92 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 123.88 0.872 . . . . 0.0 110.211 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -108.48 131.65 54.6 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.306 1.042 . . . . 0.0 111.211 -177.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.6 t -109.11 131.41 59.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 126.541 1.936 . . . . 0.0 109.935 172.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.6 t -128.35 166.84 17.89 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.352 1.461 . . . . 0.0 109.144 169.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -43.62 85.59 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.555 -1.341 . . . . 0.0 112.315 -173.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.274 0.2 OUTLIER -123.48 9.34 9.04 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 116.583 2.068 . . . . 0.0 116.583 174.618 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.261 8.0 t-20 49.46 32.27 4.6 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 127.877 2.471 . . . . 0.0 116.26 179.156 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.9 p -88.81 -37.37 15.45 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.044 1.337 . . . . 0.0 113.19 174.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.4 p -139.23 176.97 8.25 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.335 1.854 . . . . 0.0 111.155 -169.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.5 mtt85 55.86 -78.79 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 127.113 2.165 . . . . 0.0 113.79 -172.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 60.7 p -45.63 -45.41 13.87 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 127.415 2.286 . . . . 0.0 113.964 178.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 -65.85 -35.97 82.16 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.636 0.774 . . . . 0.0 112.098 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 6.7 mtp -75.47 -35.5 60.85 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.04 1.336 . . . . 0.0 111.11 174.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.77 -44.36 90.62 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.801 1.24 . . . . 0.0 111.561 174.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -59.76 -40.19 87.36 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 122.729 0.411 . . . . 0.0 111.349 169.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.48 -52.0 54.37 Favored Glycine 0 CA--C 1.531 1.032 0 C-N-CA 125.358 1.456 . . . . 0.0 114.735 176.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -65.09 -43.45 92.06 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 119.334 1.567 . . . . 0.0 110.325 176.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.27 -44.24 79.82 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -174.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -64.99 -24.96 67.67 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 119.556 1.071 . . . . 0.0 113.272 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.2 m -85.45 -57.29 3.13 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.574 1.55 . . . . 0.0 112.449 175.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 69.6 mt -83.15 -31.38 27.21 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.009 1.324 . . . . 0.0 112.355 -170.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -94.19 10.16 71.8 Favored Glycine 0 CA--C 1.529 0.911 0 C-N-CA 126.3 1.905 . . . . 0.0 114.304 175.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.13 112.89 0.8 Allowed 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 119.867 1.834 . . . . 0.0 112.838 -178.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.52 -18.4 14.97 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 125.181 1.372 . . . . 0.0 114.948 -176.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.483 ' O ' ' HA ' ' A' ' 1' ' ' MET . 29.5 mtpp -77.08 -38.47 52.4 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.183 1.393 . . . . 0.0 110.426 169.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.5 pp -144.5 170.21 8.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 125.103 1.361 . . . . 0.0 112.898 -178.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -124.45 143.41 50.65 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.058 1.343 . . . . 0.0 108.432 168.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.09 148.66 24.94 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 N-CA-C 115.227 1.565 . . . . 0.0 115.227 -169.529 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.5 m -139.53 150.64 45.34 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.34 1.456 . . . . 0.0 109.72 178.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.0 t -119.55 139.31 52.34 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.171 1.388 . . . . 0.0 112.014 175.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 14.8 p -153.43 -179.01 7.36 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.384 1.473 . . . . 0.0 112.657 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -154.62 167.05 32.49 Favored Glycine 0 C--O 1.223 -0.57 0 O-C-N 120.137 -1.602 . . . . 0.0 113.22 169.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.548 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -66.73 -16.59 64.35 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 118.034 0.917 . . . . 0.0 112.628 174.849 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -140.2 167.17 22.75 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.649 1.979 . . . . 0.0 109.51 169.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.9 p -115.3 153.41 31.0 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.483 1.513 . . . . 0.0 111.765 171.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.6 t -136.51 -90.37 0.27 Allowed 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.634 1.573 . . . . 0.0 109.969 174.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -158.35 151.17 22.44 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 127.893 2.477 . . . . 0.0 109.296 172.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.1 t -60.91 129.55 23.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 119.886 1.221 . . . . 0.0 108.73 169.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -70.47 125.54 92.03 Favored Pre-proline 0 CA--C 1.532 0.268 0 CA-C-O 118.961 -0.542 . . . . 0.0 110.166 -176.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -72.69 -25.12 17.64 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 CA-C-N 120.072 1.062 . . . . 0.0 112.246 -170.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 40.6 m -75.65 -28.04 58.61 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.418 -0.802 . . . . 0.0 111.651 176.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.29 -45.45 80.17 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 120.99 -1.069 . . . . 0.0 111.914 173.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.1 mt -58.85 -43.6 88.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 123.953 0.901 . . . . 0.0 110.67 176.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.21 -36.09 82.93 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.698 -0.626 . . . . 0.0 112.592 177.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 4.3 mmt -77.84 -30.42 51.01 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 125.014 1.325 . . . . 0.0 112.197 -179.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 87.1 mmm -74.44 -30.65 61.98 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.929 0.892 . . . . 0.0 111.12 169.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -70.86 -20.53 62.52 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.217 -0.927 . . . . 0.0 113.361 176.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -60.68 -31.86 71.1 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 120.254 1.388 . . . . 0.0 112.345 170.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.1 p -100.85 9.59 8.17 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 C-N-CA 126.428 1.891 . . . . 0.0 111.522 177.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.34 20.91 80.0 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 125.048 1.309 . . . . 0.0 115.155 173.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 77.5 mt -104.05 133.27 48.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 124.9 1.28 . . . . 0.0 110.265 -178.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -101.53 124.35 47.05 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.874 0.87 . . . . 0.0 111.697 178.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 32.5 pt -121.13 11.02 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 125.118 1.367 . . . . 0.0 112.947 170.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 98.6 p -69.07 -19.16 64.07 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 120.563 -1.336 . . . . 0.0 114.166 -175.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -76.62 -2.15 74.28 Favored Glycine 0 CA--C 1.54 1.633 0 C-N-CA 124.805 1.193 . . . . 0.0 114.744 171.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -97.6 159.2 15.07 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.222 1.409 . . . . 0.0 110.938 177.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.6 t -147.78 175.99 10.48 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 125.963 1.705 . . . . 0.0 108.563 170.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.7 p -88.09 130.74 34.92 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -173.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -138.05 143.5 39.8 Favored Pre-proline 0 CA--C 1.55 0.956 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 -173.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -83.86 144.22 10.88 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 123.582 2.855 . . . . 0.0 114.222 -171.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.9 tt -54.56 -33.6 27.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 127.487 2.315 . . . . 0.0 112.146 176.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -57.82 -27.3 63.04 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.429 1.492 . . . . 0.0 114.179 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.54 -13.18 35.11 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 179.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -97.07 171.16 8.65 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.899 1.28 . . . . 0.0 113.354 -170.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -124.53 86.68 2.6 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.2 1.4 . . . . 0.0 112.927 -169.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.53 -32.98 43.24 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -56.79 -25.36 55.31 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.163 1.385 . . . . 0.0 114.15 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -103.28 9.2 38.17 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.157 0.983 . . . . 0.0 113.608 177.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -110.39 97.74 7.12 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.204 1.002 . . . . 0.0 108.608 173.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -52.42 -35.25 51.53 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.469 0.707 . . . . 0.0 112.078 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 48.1 t -124.77 138.16 55.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 C-N-CA 124.719 1.208 . . . . 0.0 110.514 173.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 50.4 t -122.69 138.03 54.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 124.209 1.004 . . . . 0.0 109.893 171.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 24.3 mm -123.74 134.98 64.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 C-N-CA 124.532 1.133 . . . . 0.0 109.522 -178.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.9 t -104.16 138.96 39.89 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.494 0.718 . . . . 0.0 111.108 169.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.9 mp -132.59 45.78 2.71 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.681 1.592 . . . . 0.0 109.481 -177.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 37.8 m -113.4 -14.62 12.75 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 115.599 1.703 . . . . 0.0 115.599 -169.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 80.45 -164.24 47.2 Favored Glycine 0 CA--C 1.539 1.565 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 -168.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 92.1 m -65.37 159.33 24.33 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 121.622 0.725 . . . . 0.0 112.551 173.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 91.76 1.01 71.3 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 124.543 1.068 . . . . 0.0 115.31 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 82.1 t -131.5 129.57 62.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 125.558 1.543 . . . . 0.0 109.577 177.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -138.66 -0.24 1.96 Allowed 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 -178.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.0 mt 42.88 66.31 4.52 Favored Pre-proline 0 CA--C 1.554 1.117 0 C-N-CA 126.422 1.889 . . . . 0.0 115.081 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -50.39 -29.16 23.02 Favored 'Trans proline' 0 CA--C 1.554 1.507 0 C-N-CA 123.72 2.947 . . . . 0.0 119.168 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -76.51 -159.47 0.1 OUTLIER 'Trans proline' 0 CA--C 1.548 1.215 0 C-N-CA 122.778 2.319 . . . . 0.0 115.021 -176.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -52.91 -13.48 0.44 Allowed 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 126.22 1.808 . . . . 0.0 115.145 172.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -59.72 -16.08 24.57 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 126.208 1.803 . . . . 0.0 114.939 173.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 32.8 m -120.32 4.5 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 174.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 44.2 p -93.02 2.71 56.65 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.063 0.945 . . . . 0.0 113.258 176.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 -76.51 177.5 7.37 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.634 1.174 . . . . 0.0 111.921 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -64.69 -39.1 93.08 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 121.345 -0.847 . . . . 0.0 112.824 -169.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 26.5 mt -136.88 137.25 47.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 123.817 0.847 . . . . 0.0 110.243 172.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -126.49 134.61 50.87 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.501 1.12 . . . . 0.0 109.76 168.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -135.13 153.23 52.07 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.285 1.034 . . . . 0.0 111.493 175.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -122.36 119.17 30.28 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.565 0.746 . . . . 0.0 111.798 170.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 43.5 m0 -108.82 86.26 2.25 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.903 1.681 . . . . 0.0 109.858 -174.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -80.24 122.26 26.65 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.617 0.767 . . . . 0.0 110.673 -175.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 75.8 mt -143.42 172.63 12.51 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.66 1.584 . . . . 0.0 111.714 -175.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -56.53 168.52 0.56 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.355 1.462 . . . . 0.0 113.058 172.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -118.07 93.06 43.85 Favored Pre-proline 0 CA--C 1.542 0.658 0 C-N-CA 126.049 1.739 . . . . 0.0 110.522 -177.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -70.07 -14.54 35.24 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.464 2.776 . . . . 0.0 116.598 -169.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -58.94 99.77 0.06 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.809 1.644 . . . . 0.0 111.852 -175.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 86.21 14.92 65.58 Favored Glycine 0 CA--C 1.541 1.707 0 C-N-CA 124.408 1.004 . . . . 0.0 115.366 -176.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -88.91 -103.63 0.09 Allowed 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 118.787 1.293 . . . . 0.0 111.689 178.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 54.9 p -153.6 164.5 38.14 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 126.733 2.013 . . . . 0.0 110.189 177.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.8 mt -62.35 -37.65 86.49 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 122.0 -0.438 . . . . 0.0 112.169 177.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -65.91 -34.32 77.85 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.51 -0.744 . . . . 0.0 111.939 176.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 75.4 t -70.55 -35.8 63.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 O-C-N 120.963 -1.086 . . . . 0.0 111.431 172.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -61.34 -48.42 81.41 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.179 0.899 . . . . 0.0 111.108 170.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 45.4 mtp85 -59.57 -37.77 79.37 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.27 1.428 . . . . 0.0 112.393 177.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 53.5 m -63.69 -41.25 98.16 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.576 1.15 . . . . 0.0 112.036 176.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 75.7 t -72.46 -48.35 47.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 O-C-N 121.513 -0.742 . . . . 0.0 111.529 172.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 53.4 ttp180 -49.09 -51.34 32.25 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 126.511 1.924 . . . . 0.0 112.019 -178.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -61.43 -36.32 92.36 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 123.857 0.741 . . . . 0.0 113.859 -178.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -76.75 -47.15 22.62 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.615 -0.933 . . . . 0.0 111.432 177.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 39.0 t -57.07 -40.15 71.11 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 CA-C-N 119.322 0.964 . . . . 0.0 111.297 173.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 48.1 tttm -58.72 -55.82 30.19 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.545 1.138 . . . . 0.0 111.927 173.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -35.5 81.04 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 118.319 -0.848 . . . . 0.0 111.508 -177.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -61.11 -44.46 97.31 Favored 'General case' 0 C--N 1.34 0.185 0 CA-C-N 119.165 0.893 . . . . 0.0 110.81 175.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 39.2 t -61.29 -50.15 81.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-O 118.129 -0.939 . . . . 0.0 113.21 170.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -59.59 -34.2 72.44 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 120.836 1.653 . . . . 0.0 112.88 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.19 -26.46 60.29 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 176.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 55.5 tp -79.68 -48.76 13.15 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.405 1.082 . . . . 0.0 111.89 176.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 6.1 pt -64.03 -28.22 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 CA-C-N 119.578 1.081 . . . . 0.0 112.613 -176.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.14 -21.08 64.94 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 174.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -87.89 -44.46 11.04 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.214 1.406 . . . . 0.0 113.179 176.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.294 1.7 pp -105.75 4.05 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 N-CA-C 116.541 2.052 . . . . 0.0 116.541 -169.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--O 1.253 1.288 0 C-N-CA 124.023 0.929 . . . . 0.0 111.929 169.768 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.45 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 13.9 ttt . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 119.912 -0.089 . . . . 0.0 111.234 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -130.19 165.32 22.61 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 125.851 1.661 . . . . 0.0 111.239 170.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -105.64 140.95 37.92 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.95 1.3 . . . . 0.0 110.509 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.2 t -123.46 140.19 47.8 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 124.6 1.16 . . . . 0.0 109.751 177.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 4.2 tpp -133.35 135.58 44.83 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 123.763 0.825 . . . . 0.0 109.997 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -108.18 135.19 49.93 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 124.207 1.003 . . . . 0.0 111.504 -176.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.4 t -115.82 123.77 71.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 126.782 2.033 . . . . 0.0 109.495 173.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 48.0 t -122.15 165.25 16.42 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.57 1.148 . . . . 0.0 110.187 169.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -62.47 -40.4 96.54 Favored 'General case' 0 N--CA 1.484 1.255 0 O-C-N 120.675 -1.266 . . . . 0.0 113.308 -169.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.3 0.2 OUTLIER -127.22 12.16 7.06 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 116.135 1.902 . . . . 0.0 116.135 173.797 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 49.35 34.22 6.22 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 127.582 2.353 . . . . 0.0 116.001 -177.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.9 p -92.93 -38.75 11.52 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.776 1.23 . . . . 0.0 112.853 179.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.9 t -139.78 -177.0 4.77 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.793 1.637 . . . . 0.0 110.713 -176.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.5 mtm-85 57.31 -77.75 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 127.312 2.245 . . . . 0.0 114.077 -175.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 59.7 p -45.54 -44.95 13.12 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 126.373 1.869 . . . . 0.0 113.387 175.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -66.91 -38.33 86.03 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.391 1.476 . . . . 0.0 112.051 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 58.5 mtt -68.85 -36.22 77.88 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.276 1.03 . . . . 0.0 112.193 170.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.7 -41.06 98.18 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.447 0.699 . . . . 0.0 111.115 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -63.21 -39.67 95.28 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 122.867 0.467 . . . . 0.0 110.709 169.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.92 -45.89 85.31 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 124.935 1.255 . . . . 0.0 114.318 173.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -73.95 -46.58 43.19 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.121 1.461 . . . . 0.0 112.271 175.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.47 -34.93 79.42 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -176.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -63.34 -32.24 73.6 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 120.388 1.449 . . . . 0.0 113.118 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.0 m -90.21 -51.21 5.56 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 125.473 1.509 . . . . 0.0 112.334 179.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 68.9 mt -78.3 -23.89 46.92 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.12 0.968 . . . . 0.0 112.345 -175.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -104.72 10.29 48.9 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 126.915 2.198 . . . . 0.0 114.553 176.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.17 110.97 0.49 Allowed 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 119.78 1.79 . . . . 0.0 112.531 -177.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.99 -21.49 7.86 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.949 1.261 . . . . 0.0 114.435 -178.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 1' ' ' MET . 36.8 mtpt -73.61 -39.45 64.56 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.951 1.301 . . . . 0.0 110.928 169.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.5 pp -143.83 172.8 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 125.064 1.346 . . . . 0.0 112.808 -177.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.04 145.25 51.05 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.973 1.309 . . . . 0.0 108.922 168.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.13 149.55 24.69 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 N-CA-C 115.056 1.502 . . . . 0.0 115.056 -169.39 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.2 m -140.02 148.73 42.27 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.736 1.615 . . . . 0.0 109.924 178.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.8 t -119.32 139.35 52.08 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.254 1.422 . . . . 0.0 112.041 174.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 14.0 p -153.34 -177.5 6.37 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.635 1.574 . . . . 0.0 112.664 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -151.0 164.37 29.99 Favored Glycine 0 N--CA 1.467 0.72 0 O-C-N 120.48 -1.388 . . . . 0.0 112.13 170.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.56 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.7 OUTLIER -63.83 -15.28 58.43 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 118.725 1.263 . . . . 0.0 113.254 176.442 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -150.39 165.1 34.13 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 127.508 2.323 . . . . 0.0 108.366 168.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.7 t -121.81 150.0 42.52 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.193 0.997 . . . . 0.0 112.832 -170.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 87.8 p -137.39 -98.91 0.2 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.137 1.375 . . . . 0.0 111.772 173.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.68 152.13 26.72 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 127.892 2.477 . . . . 0.0 109.718 174.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.8 t -59.11 133.01 24.47 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 CA-C-N 119.737 1.153 . . . . 0.0 109.157 171.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -66.34 124.66 88.69 Favored Pre-proline 0 CA--C 1.531 0.243 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 174.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -67.63 -26.83 39.28 Favored 'Trans proline' 0 CA--C 1.539 0.764 0 CA-C-N 120.569 1.239 . . . . 0.0 111.884 -169.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 35.5 m -69.01 -28.81 66.93 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.458 -0.777 . . . . 0.0 112.168 173.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.46 -46.44 90.05 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 120.179 1.354 . . . . 0.0 111.462 174.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.1 mt -59.3 -45.95 92.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 123.787 0.835 . . . . 0.0 110.038 174.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.46 -35.52 77.86 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 178.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 10.7 mmt -75.62 -28.37 58.82 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.57 1.148 . . . . 0.0 112.089 178.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 81.9 mmm -74.49 -33.28 62.8 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.223 0.92 . . . . 0.0 111.372 169.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -65.63 -21.97 66.61 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 112.943 0.719 . . . . 0.0 112.943 175.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -64.02 -26.44 68.57 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 119.867 1.212 . . . . 0.0 112.609 170.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.0 t -86.94 -6.87 10.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.383 1.473 . . . . 0.0 111.338 175.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.38 16.18 77.27 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 124.382 0.992 . . . . 0.0 113.292 -169.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 54.2 mt -96.02 132.48 40.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 125.417 1.487 . . . . 0.0 109.515 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -100.11 123.04 43.88 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 -175.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.7 pt -130.25 13.89 2.24 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 C-N-CA 125.09 1.356 . . . . 0.0 113.612 169.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 52.5 p -63.82 -24.09 67.61 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 120.306 -1.496 . . . . 0.0 114.048 -172.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -78.92 0.59 77.77 Favored Glycine 0 CA--C 1.539 1.575 0 C-N-CA 125.098 1.332 . . . . 0.0 115.471 174.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -74.38 158.81 33.28 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 119.758 1.779 . . . . 0.0 111.693 176.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 26.5 p -144.75 163.23 34.65 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 128.998 2.919 . . . . 0.0 105.472 173.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.0 m -85.69 144.87 27.57 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 121.414 -0.804 . . . . 0.0 112.055 176.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -141.48 145.64 38.61 Favored Pre-proline 0 CA--C 1.552 1.023 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 177.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -86.69 149.05 8.58 Favored 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 124.026 3.151 . . . . 0.0 113.891 -175.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.1 tt -58.08 -35.45 52.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 126.563 1.945 . . . . 0.0 112.221 -178.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -63.92 -23.22 67.26 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 -175.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -85.14 -13.32 50.52 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 176.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -100.8 172.42 7.07 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.337 1.455 . . . . 0.0 113.693 -169.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -126.34 88.82 2.9 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.095 1.358 . . . . 0.0 113.169 -169.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.91 -32.24 52.8 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -57.05 -24.03 50.9 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.192 1.397 . . . . 0.0 113.941 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -107.79 12.01 27.7 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.148 0.979 . . . . 0.0 113.562 176.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -111.19 97.0 6.47 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 169.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -53.23 -34.03 55.39 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 122.909 0.483 . . . . 0.0 112.193 -177.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 44.7 t -122.54 137.73 55.07 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 C-N-CA 124.476 1.111 . . . . 0.0 110.693 171.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 45.6 t -120.84 138.56 50.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 123.988 0.915 . . . . 0.0 109.704 169.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 30.6 mm -125.1 130.36 73.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 124.583 1.153 . . . . 0.0 109.203 -177.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.7 t -99.01 144.47 28.12 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 123.686 0.795 . . . . 0.0 109.594 168.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 mp -137.17 44.28 2.3 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.932 1.693 . . . . 0.0 108.82 -178.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 60.6 m -110.77 -21.14 12.22 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 115.712 1.745 . . . . 0.0 115.712 -169.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 76.73 -157.41 47.36 Favored Glycine 0 CA--C 1.537 1.417 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -169.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 74.1 m -60.34 152.16 25.94 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 123.605 0.762 . . . . 0.0 112.73 175.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.89 -0.81 62.87 Favored Glycine 0 CA--C 1.538 1.492 0 N-CA-C 116.201 1.24 . . . . 0.0 116.201 177.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 57.3 t -134.63 127.8 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 CA-C-N 118.851 1.326 . . . . 0.0 110.725 -178.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -133.01 -6.14 3.09 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 115.327 1.603 . . . . 0.0 115.327 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 45.0 mt 44.7 59.63 13.48 Favored Pre-proline 0 CA--C 1.556 1.178 0 C-N-CA 126.074 1.75 . . . . 0.0 115.242 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -58.1 -17.6 32.48 Favored 'Trans proline' 0 CA--C 1.558 1.717 0 N-CA-C 119.086 2.687 . . . . 0.0 119.086 -177.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo -76.73 -158.85 0.09 OUTLIER 'Trans proline' 0 CA--C 1.55 1.302 0 CA-C-N 123.887 2.424 . . . . 0.0 114.143 177.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -52.35 -13.3 0.33 Allowed 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 126.045 1.738 . . . . 0.0 115.366 171.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -61.96 -14.6 36.44 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.811 1.644 . . . . 0.0 114.889 175.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 34.2 m -120.75 4.88 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 174.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 51.0 p -94.69 4.42 53.85 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.167 0.987 . . . . 0.0 113.327 178.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 -78.59 -177.12 5.18 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.856 1.262 . . . . 0.0 112.339 -178.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -64.86 -40.95 95.95 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 121.033 -1.042 . . . . 0.0 112.163 -170.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 42.1 mt -138.08 140.37 40.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 124.746 1.219 . . . . 0.0 109.874 172.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -128.79 136.96 51.23 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.308 1.043 . . . . 0.0 109.768 168.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -136.11 155.83 49.61 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.838 1.255 . . . . 0.0 111.601 176.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -128.67 102.39 6.56 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.293 1.037 . . . . 0.0 110.885 175.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 37.2 m0 -89.57 89.46 7.84 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.627 1.571 . . . . 0.0 110.379 -177.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -80.41 90.9 5.64 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.79 0.836 . . . . 0.0 110.231 -176.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 60.5 mt -109.35 173.46 6.31 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.488 1.515 . . . . 0.0 111.897 -177.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 25.7 mp0 -63.56 166.48 6.71 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.718 1.607 . . . . 0.0 111.479 174.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -118.18 97.66 50.9 Favored Pre-proline 0 CA--C 1.545 0.751 0 C-N-CA 124.926 1.29 . . . . 0.0 111.147 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -72.44 -15.62 27.79 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 123.766 2.977 . . . . 0.0 116.346 -170.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -56.38 106.12 0.26 Allowed 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.121 1.368 . . . . 0.0 111.721 -177.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 82.64 13.67 77.61 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 124.31 0.957 . . . . 0.0 115.133 -177.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -90.62 -103.96 0.1 Allowed 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.56 1.144 . . . . 0.0 111.258 178.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.5 m -159.98 162.17 34.28 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 127.153 2.181 . . . . 0.0 109.839 177.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.3 mp -68.0 -29.62 68.68 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 120.872 -1.142 . . . . 0.0 112.142 -173.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.9 -29.94 70.54 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 120.711 -1.243 . . . . 0.0 112.951 170.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 99.3 t -77.47 -38.25 26.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.815 0.846 . . . . 0.0 110.883 174.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -60.03 -44.99 94.25 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.199 0.909 . . . . 0.0 111.343 169.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 74.1 mtt180 -63.38 -39.33 94.23 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.422 1.089 . . . . 0.0 111.879 177.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 47.8 m -61.4 -42.84 99.38 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.049 0.94 . . . . 0.0 111.711 174.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 55.7 t -69.04 -47.65 74.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 O-C-N 121.131 -0.981 . . . . 0.0 112.016 173.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 -51.53 -48.24 63.09 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.789 1.636 . . . . 0.0 112.141 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -61.25 -38.48 95.73 Favored Glycine 0 CA--C 1.533 1.209 0 C-N-CA 123.643 0.64 . . . . 0.0 113.224 178.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -72.83 -45.62 57.42 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 117.976 0.888 . . . . 0.0 111.701 177.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 58.8 t -56.57 -44.65 81.34 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 O-C-N 120.935 -1.103 . . . . 0.0 111.305 173.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 39.3 tttm -57.63 -53.65 55.77 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.189 0.996 . . . . 0.0 111.31 174.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -65.21 -36.83 85.39 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 118.695 -0.669 . . . . 0.0 112.25 -175.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 28.5 mmm180 -64.46 -43.3 94.65 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.461 1.028 . . . . 0.0 111.043 174.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 19.5 t -59.73 -50.98 78.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 CA-C-N 119.661 1.119 . . . . 0.0 113.211 171.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -59.51 -35.77 74.8 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 120.624 1.556 . . . . 0.0 112.738 178.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.72 -29.26 62.15 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 177.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 47.8 tp -75.73 -51.21 13.2 Favored 'General case' 0 C--O 1.227 -0.104 0 C-N-CA 123.905 0.882 . . . . 0.0 111.473 177.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.7 pt -61.46 -33.73 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-N 119.536 1.062 . . . . 0.0 111.894 -174.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.87 -21.0 66.72 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 175.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -85.68 -38.33 18.45 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.232 1.413 . . . . 0.0 113.372 175.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.0 pp -111.48 -0.93 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 N-CA-C 116.339 1.977 . . . . 0.0 116.339 -169.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 57.2 m . . . . . 0 C--O 1.254 1.29 0 C-N-CA 124.136 0.975 . . . . 0.0 112.584 174.279 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.46 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 15.4 ttt . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 119.878 -0.106 . . . . 0.0 111.225 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 53.6 mttp -128.74 166.69 18.5 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 126.002 1.721 . . . . 0.0 111.051 169.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.442 ' HE2' ' O ' ' A' ' 72' ' ' ASP . 1.6 mppt? -109.59 140.57 43.24 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.45 1.1 . . . . 0.0 111.435 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.3 t -122.75 141.43 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 124.166 0.986 . . . . 0.0 109.991 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 8.6 tpp -131.42 135.45 47.17 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.905 0.882 . . . . 0.0 110.518 177.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -111.64 115.48 29.19 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 125.008 1.323 . . . . 0.0 111.492 -177.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.509 HG21 HD12 ' A' ' 65' ' ' ILE . 2.5 t -95.3 130.88 43.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 126.273 1.829 . . . . 0.0 110.908 172.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.7 t -127.93 175.17 8.57 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.166 1.386 . . . . 0.0 109.14 169.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp -64.03 -54.39 34.94 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 120.716 -1.24 . . . . 0.0 111.868 -175.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.319 0.3 OUTLIER -116.83 7.66 13.4 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 116.85 2.167 . . . . 0.0 116.85 176.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 52.01 36.06 17.69 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 127.079 2.152 . . . . 0.0 114.279 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.6 p -95.14 -43.75 7.96 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.325 1.45 . . . . 0.0 112.28 178.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.5 t -132.48 -176.11 3.98 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.395 1.878 . . . . 0.0 110.51 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.0 mtt180 56.71 -80.01 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 127.103 2.161 . . . . 0.0 113.251 -171.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.9 p -51.65 -40.26 59.67 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 127.238 2.215 . . . . 0.0 114.175 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -69.27 -35.52 76.15 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.438 0.695 . . . . 0.0 111.78 178.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 48.1 mtt -69.59 -38.02 77.17 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.94 0.896 . . . . 0.0 111.615 171.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.45 -40.95 96.36 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.305 0.642 . . . . 0.0 111.692 177.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 62.8 tt0 -61.8 -41.91 98.34 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.843 0.857 . . . . 0.0 111.729 170.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.92 -46.94 93.24 Favored Glycine 0 CA--C 1.531 1.051 0 C-N-CA 124.036 0.827 . . . . 0.0 114.517 174.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -69.39 -47.69 63.43 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.083 1.441 . . . . 0.0 111.68 176.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.26 -37.48 85.59 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 118.4 -0.809 . . . . 0.0 113.041 -176.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -66.15 -28.39 68.75 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 120.267 1.394 . . . . 0.0 112.922 177.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.9 m -86.3 -52.41 5.64 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.172 1.389 . . . . 0.0 112.376 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 69.2 mt -83.94 -24.66 30.59 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.303 1.441 . . . . 0.0 112.259 -173.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -100.34 9.66 59.35 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 126.707 2.098 . . . . 0.0 114.558 174.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.99 112.17 0.63 Allowed 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 119.668 1.734 . . . . 0.0 112.736 -179.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.3 -21.56 8.36 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 125.116 1.341 . . . . 0.0 114.548 -178.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.46 ' O ' ' HA ' ' A' ' 1' ' ' MET . 31.2 mtpt -75.03 -39.18 61.2 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.983 1.313 . . . . 0.0 111.126 169.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.4 pp -144.44 172.62 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 125.316 1.447 . . . . 0.0 112.72 -176.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.06 144.59 51.11 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.901 1.281 . . . . 0.0 108.715 168.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.32 152.72 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 N-CA-C 115.094 1.516 . . . . 0.0 115.094 -169.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.1 m -146.44 153.15 40.12 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.154 1.781 . . . . 0.0 108.907 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 89.8 p -126.1 149.4 48.95 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.075 -1.016 . . . . 0.0 111.636 169.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 14.5 p -152.34 -174.54 4.93 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.802 1.241 . . . . 0.0 110.527 176.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -149.36 166.81 29.61 Favored Glycine 0 C--O 1.225 -0.453 0 O-C-N 120.334 -1.479 . . . . 0.0 113.249 169.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.567 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -65.79 -11.95 50.23 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 121.741 -0.858 . . . . 0.0 112.54 170.11 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -140.08 164.63 29.52 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 127.799 2.439 . . . . 0.0 108.179 169.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 62.7 p -132.61 140.84 48.4 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.214 1.006 . . . . 0.0 111.481 176.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 25.0 t -133.32 -96.33 0.3 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.562 0.745 . . . . 0.0 111.587 174.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.85 155.95 40.95 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.414 1.486 . . . . 0.0 110.597 171.217 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.4 t -59.1 132.51 24.16 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 CA-C-N 119.865 1.212 . . . . 0.0 108.685 170.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 53.4 t-80 -65.23 124.99 88.45 Favored Pre-proline 0 N--CA 1.464 0.229 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 177.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -70.96 -20.45 29.16 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 CA-C-N 120.329 1.153 . . . . 0.0 112.172 -169.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.4 m -72.24 -26.45 62.01 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 121.12 -0.987 . . . . 0.0 111.889 171.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.39 -38.35 89.3 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 120.567 -1.333 . . . . 0.0 111.985 174.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -56.44 -47.42 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 172.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.16 -38.44 90.56 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 121.176 0.512 . . . . 0.0 112.377 -178.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 12.1 mmt -72.74 -28.1 62.43 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 124.588 1.155 . . . . 0.0 112.719 178.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 84.3 mmm -77.97 -31.35 50.74 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 119.27 0.941 . . . . 0.0 111.265 169.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -67.53 -24.74 65.59 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 120.981 -1.074 . . . . 0.0 112.869 174.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -59.18 -31.33 68.91 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.838 1.199 . . . . 0.0 112.628 172.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.1 m -101.98 10.56 8.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.616 1.566 . . . . 0.0 112.693 177.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.51 23.04 78.52 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 124.795 1.188 . . . . 0.0 115.12 176.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 64.4 mt -110.08 141.33 25.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 125.672 1.589 . . . . 0.0 109.75 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -104.13 136.41 43.81 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.446 1.098 . . . . 0.0 112.317 178.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.7 pt -130.57 11.29 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 124.171 0.988 . . . . 0.0 111.664 169.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.7 m -66.08 -26.77 67.64 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.348 1.459 . . . . 0.0 113.412 -171.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.44 -0.71 89.5 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 125.009 1.29 . . . . 0.0 114.715 175.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -89.22 161.13 16.6 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 119.024 1.412 . . . . 0.0 110.743 176.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 25.7 p -145.76 163.64 34.35 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 128.58 2.752 . . . . 0.0 105.489 -179.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.9 m -83.26 138.37 33.61 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 121.471 -0.768 . . . . 0.0 111.997 178.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -136.43 148.24 63.21 Favored Pre-proline 0 N--CA 1.478 0.954 0 C-N-CA 124.095 0.958 . . . . 0.0 113.559 178.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -88.42 143.62 5.5 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 123.316 2.677 . . . . 0.0 113.207 -176.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.509 HD12 HG21 ' A' ' 7' ' ' VAL . 8.3 tt -57.17 -34.8 46.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 126.021 1.728 . . . . 0.0 111.993 176.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -58.99 -23.7 62.07 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.953 1.301 . . . . 0.0 114.404 -177.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.36 -15.18 33.92 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 178.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -99.37 174.59 6.21 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.47 1.108 . . . . 0.0 113.935 -169.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.9 100.75 8.89 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.309 1.844 . . . . 0.0 112.023 -175.131 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.73 -35.77 61.56 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.265 -0.897 . . . . 0.0 112.343 174.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -60.92 -31.15 70.68 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.599 1.56 . . . . 0.0 114.457 -172.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.442 ' O ' ' HE2' ' A' ' 3' ' ' LYS . 32.4 t70 -85.2 -29.53 24.62 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 179.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -79.26 92.28 5.1 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 121.439 -0.788 . . . . 0.0 109.396 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -48.0 -34.88 9.99 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.961 1.304 . . . . 0.0 112.144 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 52.7 t -124.93 137.85 56.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 C-N-CA 124.449 1.1 . . . . 0.0 110.692 172.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.1 t -122.87 136.1 60.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 123.8 0.84 . . . . 0.0 110.101 171.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 24.7 mm -121.5 128.52 75.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 124.655 1.182 . . . . 0.0 108.56 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.9 t -98.68 144.37 28.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 118.685 0.675 . . . . 0.0 109.414 168.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.3 mp -131.09 43.75 3.05 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 125.874 1.67 . . . . 0.0 108.964 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 50.0 m -117.51 116.73 27.71 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.434 1.894 . . . . 0.0 110.981 -172.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -65.5 98.1 0.31 Allowed Glycine 0 CA--C 1.538 1.495 0 C-N-CA 124.716 1.15 . . . . 0.0 115.019 -178.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 12.1 t 61.33 -38.16 0.11 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 129.733 3.213 . . . . 0.0 118.973 169.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -72.59 8.97 6.54 Favored Glycine 0 CA--C 1.539 1.582 0 C-N-CA 125.227 1.394 . . . . 0.0 116.084 -176.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 59.7 t -140.74 140.42 33.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 126.309 1.844 . . . . 0.0 111.251 -169.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -137.27 -2.76 2.0 Favored 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 115.949 1.833 . . . . 0.0 115.949 177.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.1 mt 42.43 64.98 5.49 Favored Pre-proline 0 CA--C 1.558 1.269 0 C-N-CA 126.103 1.761 . . . . 0.0 114.662 -173.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -51.58 -29.05 30.98 Favored 'Trans proline' 0 CA--C 1.554 1.504 0 C-N-CA 123.451 2.767 . . . . 0.0 119.036 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -75.87 -160.42 0.11 Allowed 'Trans proline' 0 CA--C 1.547 1.162 0 C-N-CA 122.694 2.263 . . . . 0.0 114.773 -176.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -61.43 -6.32 2.24 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 119.998 -1.689 . . . . 0.0 114.785 176.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -59.49 -16.85 27.0 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 120.159 -1.588 . . . . 0.0 114.783 171.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 34.9 m -113.8 0.58 8.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 124.774 1.23 . . . . 0.0 114.012 174.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 42.9 p -96.43 7.08 47.37 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.647 1.179 . . . . 0.0 113.229 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -75.98 -179.52 4.95 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.097 1.359 . . . . 0.0 111.832 177.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -62.92 -40.22 96.96 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 121.121 -0.987 . . . . 0.0 112.163 -170.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 39.3 mt -137.67 139.04 43.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 124.681 1.192 . . . . 0.0 109.873 170.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -128.75 136.04 50.03 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.21 1.004 . . . . 0.0 110.02 168.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -136.15 156.88 48.05 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.393 1.077 . . . . 0.0 111.928 177.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -127.4 103.4 7.35 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.593 1.157 . . . . 0.0 111.222 177.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 37.8 m0 -101.25 82.3 2.32 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.168 1.787 . . . . 0.0 111.001 -175.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -74.74 126.43 30.88 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 121.614 -0.679 . . . . 0.0 111.145 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 72.2 mt -141.51 172.35 12.81 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.301 1.84 . . . . 0.0 110.887 -176.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -59.56 170.21 1.11 Allowed 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.094 1.358 . . . . 0.0 113.358 173.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -113.49 93.97 29.78 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 126.142 1.777 . . . . 0.0 110.13 175.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -68.88 -15.87 40.76 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 123.387 2.725 . . . . 0.0 115.958 -173.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -54.88 108.21 0.37 Allowed 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.99 1.316 . . . . 0.0 111.925 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 80.47 13.48 81.61 Favored Glycine 0 CA--C 1.539 1.55 0 C-N-CA 124.242 0.925 . . . . 0.0 114.69 -178.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -91.24 -102.1 0.11 Allowed 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 118.587 1.193 . . . . 0.0 110.89 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 88.9 p -161.24 162.01 30.99 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 126.52 1.928 . . . . 0.0 110.496 -178.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 75.0 mt -64.69 -35.99 82.81 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.476 -0.765 . . . . 0.0 112.371 -178.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.27 -31.08 72.14 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 173.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 71.3 t -75.02 -39.29 44.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 O-C-N 120.853 -1.154 . . . . 0.0 111.569 172.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -58.82 -46.04 88.57 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.497 1.044 . . . . 0.0 111.334 169.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 58.7 mtp85 -61.57 -39.55 91.53 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.75 1.22 . . . . 0.0 112.117 176.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 46.3 m -61.26 -41.18 96.47 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.345 1.058 . . . . 0.0 112.261 175.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 53.6 t -70.46 -50.23 47.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 O-C-N 121.512 -0.743 . . . . 0.0 111.411 172.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -52.57 -47.31 66.92 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.74 1.616 . . . . 0.0 112.585 -176.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -62.01 -37.73 94.91 Favored Glycine 0 N--CA 1.474 1.185 0 C-N-CA 123.407 0.527 . . . . 0.0 113.24 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -76.14 -41.25 50.59 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.718 -0.872 . . . . 0.0 111.888 178.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 65.8 t -57.61 -46.09 86.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 O-C-N 121.257 -0.902 . . . . 0.0 111.342 170.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 38.0 tttm -57.04 -55.83 29.65 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.109 0.963 . . . . 0.0 111.28 175.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -63.94 -36.89 85.43 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 118.762 -0.637 . . . . 0.0 112.096 -174.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 38.6 mtt180 -68.33 -37.47 80.59 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 117.76 -1.114 . . . . 0.0 111.7 175.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 15.3 t -61.19 -50.44 80.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-N 120.013 1.279 . . . . 0.0 112.584 169.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -60.05 -35.73 75.76 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 120.658 1.572 . . . . 0.0 112.773 178.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.55 -30.62 64.59 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 177.261 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 48.0 tp -75.17 -51.3 13.74 Favored 'General case' 0 C--O 1.226 -0.157 0 C-N-CA 123.856 0.862 . . . . 0.0 111.521 177.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.9 pt -61.11 -33.91 58.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 CA-C-N 119.663 1.119 . . . . 0.0 111.985 -175.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.1 -21.73 66.65 Favored 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 175.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -85.62 -39.3 17.47 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.931 1.292 . . . . 0.0 113.167 175.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.0 pp -110.97 0.15 9.37 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 N-CA-C 116.551 2.056 . . . . 0.0 116.551 -169.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.9 m . . . . . 0 C--O 1.254 1.314 0 C-N-CA 124.017 0.927 . . . . 0.0 112.305 173.735 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.3 ttm . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 111.347 0.128 . . . . 0.0 111.347 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -128.79 164.79 22.26 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 126.35 1.86 . . . . 0.0 110.0 169.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.413 ' HE2' ' O ' ' A' ' 72' ' ' ASP . 1.5 mppt? -110.32 141.16 43.72 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.469 1.108 . . . . 0.0 111.5 -174.026 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.0 t -121.89 139.42 48.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.136 0.974 . . . . 0.0 109.914 177.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 5.4 tpp -129.88 132.1 46.3 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 124.026 0.93 . . . . 0.0 110.163 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -110.21 112.3 24.18 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.405 1.082 . . . . 0.0 111.718 -174.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.6 t -89.81 137.49 21.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 125.901 1.681 . . . . 0.0 111.136 170.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 36.8 t -132.52 176.58 8.31 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.032 1.733 . . . . 0.0 107.192 168.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.0 ttpp -63.89 -59.63 4.28 Favored 'General case' 0 N--CA 1.483 1.176 0 O-C-N 120.298 -1.501 . . . . 0.0 110.36 178.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.296 0.3 OUTLIER -114.05 3.04 15.15 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 117.316 2.339 . . . . 0.0 117.316 -178.052 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 53.32 31.78 12.45 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 126.585 1.954 . . . . 0.0 115.201 176.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.6 p -85.96 -36.09 20.04 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.444 1.498 . . . . 0.0 112.509 170.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.6 p -142.25 175.62 9.62 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.678 1.991 . . . . 0.0 111.242 -169.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 96.7 mtm-85 55.86 -76.36 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 127.272 2.229 . . . . 0.0 114.236 -173.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.4 p -50.23 -39.94 46.12 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 126.06 1.744 . . . . 0.0 113.892 177.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 43.0 mm-40 -67.67 -37.12 81.91 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.774 0.829 . . . . 0.0 112.293 176.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.5 mtt -69.44 -38.48 77.82 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.014 0.925 . . . . 0.0 111.897 171.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.31 -41.29 96.74 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 119.125 0.875 . . . . 0.0 111.424 178.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 73.2 tt0 -61.69 -41.77 98.03 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.338 0.655 . . . . 0.0 111.2 169.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.56 -44.95 97.3 Favored Glycine 0 N--CA 1.475 1.298 0 C-N-CA 124.659 1.123 . . . . 0.0 115.679 175.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -67.17 -47.53 70.68 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 121.12 -1.223 . . . . 0.0 110.747 174.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.7 -42.12 86.94 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.493 -0.755 . . . . 0.0 112.935 -177.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.6 ptmm? -62.83 -24.38 67.74 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 119.394 0.997 . . . . 0.0 113.387 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.0 m -91.24 -52.48 4.79 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.518 1.527 . . . . 0.0 112.478 176.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.3 mt -81.52 -28.87 33.79 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.431 1.093 . . . . 0.0 112.284 -170.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -101.52 14.46 57.87 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 126.601 2.048 . . . . 0.0 114.283 173.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.24 113.25 1.07 Allowed 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 118.653 1.227 . . . . 0.0 113.032 -173.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.34 -5.67 82.45 Favored Glycine 0 N--CA 1.474 1.167 0 C-N-CA 124.054 0.835 . . . . 0.0 114.762 175.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -105.83 -27.75 11.05 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.368 1.467 . . . . 0.0 112.745 169.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 pp -128.69 172.87 14.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 123.536 0.734 . . . . 0.0 112.62 170.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -132.69 143.42 49.62 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.613 1.165 . . . . 0.0 109.353 169.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -139.72 151.83 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 N-CA-C 115.158 1.54 . . . . 0.0 115.158 -169.366 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.9 m -145.18 153.05 40.94 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.925 1.69 . . . . 0.0 109.31 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 93.4 p -128.55 151.16 49.77 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 120.768 -1.208 . . . . 0.0 112.105 169.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 19.1 p -154.31 -177.91 6.77 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.943 1.297 . . . . 0.0 110.696 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -148.71 167.49 29.27 Favored Glycine 0 N--CA 1.464 0.508 0 O-C-N 120.336 -1.478 . . . . 0.0 112.818 169.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.472 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.3 OUTLIER -66.53 -11.33 52.27 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 118.369 1.084 . . . . 0.0 112.979 175.47 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -148.17 172.85 13.66 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 127.688 2.395 . . . . 0.0 108.679 168.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.2 p -125.94 138.11 53.75 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.405 1.082 . . . . 0.0 112.333 -177.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.0 t -117.38 -130.73 0.31 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.265 1.826 . . . . 0.0 109.2 173.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.412 ' H ' ' HD3' ' A' ' 41' ' ' ARG . 0.1 OUTLIER -118.67 146.72 44.47 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 127.826 2.45 . . . . 0.0 109.081 170.748 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.78 129.21 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 CA-C-N 119.193 0.906 . . . . 0.0 108.664 169.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -72.88 129.45 86.58 Favored Pre-proline 0 CA--C 1.536 0.413 0 O-C-N 121.747 -0.596 . . . . 0.0 110.831 -171.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.61 -27.77 18.19 Favored 'Trans proline' 0 CA--C 1.536 0.591 0 CA-C-N 120.163 1.094 . . . . 0.0 112.184 -170.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.3 m -74.09 -28.55 61.42 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.433 -0.792 . . . . 0.0 111.658 175.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.61 -46.11 84.49 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 120.852 -1.155 . . . . 0.0 112.251 172.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.4 mt -60.2 -46.52 94.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 123.795 0.838 . . . . 0.0 110.063 175.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.61 -39.61 88.81 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 178.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 12.5 mmt -75.16 -23.87 57.84 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.139 1.375 . . . . 0.0 112.382 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -78.24 -36.06 47.48 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.329 1.052 . . . . 0.0 110.308 169.231 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -68.47 -25.44 64.99 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.01 -1.056 . . . . 0.0 113.095 178.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -59.67 -29.14 67.86 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 119.535 1.061 . . . . 0.0 112.882 171.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.4 m -102.48 12.47 7.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 125.295 1.438 . . . . 0.0 112.618 175.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.88 19.83 79.61 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 125.15 1.357 . . . . 0.0 115.118 177.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 52.1 mt -100.99 139.64 21.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 125.454 1.501 . . . . 0.0 109.953 -178.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -114.45 120.41 40.18 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.267 1.027 . . . . 0.0 111.689 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 34.9 pt -119.71 11.83 6.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.42 1.488 . . . . 0.0 113.012 170.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 89.8 p -65.77 -20.08 66.13 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 120.622 -1.299 . . . . 0.0 114.276 -173.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -79.38 -2.51 87.72 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 124.689 1.138 . . . . 0.0 115.151 172.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -93.1 156.66 16.73 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 119.017 1.409 . . . . 0.0 110.778 178.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 34.6 p -143.87 164.83 29.43 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 127.754 2.422 . . . . 0.0 105.893 177.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.1 m -79.28 134.16 36.64 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.285 -0.885 . . . . 0.0 111.726 179.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -136.57 147.51 60.03 Favored Pre-proline 0 N--CA 1.482 1.151 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -179.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -86.95 145.39 7.56 Favored 'Trans proline' 0 CA--C 1.542 0.875 0 C-N-CA 123.543 2.829 . . . . 0.0 114.216 -173.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 8.5 tt -57.44 -34.48 46.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 126.792 2.037 . . . . 0.0 112.095 178.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -61.35 -23.15 65.55 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 -177.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.51 -12.52 39.77 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 177.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -98.63 170.61 8.67 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.883 1.273 . . . . 0.0 113.963 -169.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -120.54 87.69 2.8 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.25 1.42 . . . . 0.0 113.096 -169.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.37 -35.05 26.36 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -59.24 -26.96 65.33 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.148 1.379 . . . . 0.0 114.178 -176.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.413 ' O ' ' HE2' ' A' ' 3' ' ' LYS . 33.2 t70 -85.95 -28.12 24.48 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 176.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -81.35 93.94 6.67 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 121.524 -0.735 . . . . 0.0 109.434 -174.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -48.49 -34.43 11.16 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.417 1.087 . . . . 0.0 111.853 177.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 45.5 t -127.03 137.92 56.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 C-N-CA 124.217 1.007 . . . . 0.0 110.912 172.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 52.5 t -122.76 136.7 58.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 123.858 0.863 . . . . 0.0 110.068 170.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 28.4 mm -121.85 135.5 61.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 C-N-CA 124.518 1.127 . . . . 0.0 109.117 -179.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.5 t -102.34 140.31 36.79 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 124.041 0.937 . . . . 0.0 109.933 169.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.3 mp -135.84 45.01 2.44 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.033 1.733 . . . . 0.0 109.007 -179.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 79.3 m -97.37 -18.56 19.04 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 -169.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.3 48.48 10.86 Favored Glycine 0 CA--C 1.537 1.415 0 CA-C-N 118.641 0.655 . . . . 0.0 113.119 -176.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 3.9 t 61.94 -173.36 0.14 Allowed 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 125.364 1.466 . . . . 0.0 112.426 -169.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 74.38 2.78 64.09 Favored Glycine 0 CA--C 1.537 1.445 0 C-N-CA 124.666 1.126 . . . . 0.0 115.124 -174.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 61.4 t -143.73 136.75 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 126.4 1.88 . . . . 0.0 109.753 -171.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -137.97 1.23 2.25 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 115.726 1.75 . . . . 0.0 115.726 178.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 51.5 mt 42.95 61.37 9.62 Favored Pre-proline 0 CA--C 1.556 1.194 0 C-N-CA 126.0 1.72 . . . . 0.0 114.508 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -58.48 -17.05 32.3 Favored 'Trans proline' 0 CA--C 1.555 1.571 0 N-CA-C 118.874 2.605 . . . . 0.0 118.874 -177.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_exo -75.88 -159.5 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 CA-C-N 123.86 2.414 . . . . 0.0 114.156 175.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -58.6 -11.65 3.26 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 120.143 -1.598 . . . . 0.0 115.225 176.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 79.8 m95 -57.11 -20.68 27.02 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.765 2.026 . . . . 0.0 115.671 177.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 17.6 m -109.01 -12.6 10.96 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 -178.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.0 t -97.66 16.99 18.89 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-O 122.356 1.074 . . . . 0.0 112.707 -179.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -72.69 176.21 5.73 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.267 1.027 . . . . 0.0 110.31 169.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -63.01 -36.57 83.98 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 120.799 -1.188 . . . . 0.0 112.975 -169.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 34.9 mt -136.96 138.01 46.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 124.186 0.994 . . . . 0.0 109.948 169.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -127.97 135.7 50.29 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.411 1.084 . . . . 0.0 109.982 168.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -136.0 156.61 48.48 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.534 1.134 . . . . 0.0 111.812 176.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -128.04 104.12 7.61 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.704 1.202 . . . . 0.0 111.032 176.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 34.7 m0 -96.38 86.06 4.09 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.746 1.618 . . . . 0.0 110.456 -177.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -76.5 114.46 15.25 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.599 -0.688 . . . . 0.0 110.345 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 79.2 mt -136.37 171.83 13.9 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 126.324 1.85 . . . . 0.0 111.507 -177.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 21.9 mp0 -59.66 167.77 1.93 Allowed 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.87 2.068 . . . . 0.0 112.55 175.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -118.6 92.32 43.71 Favored Pre-proline 0 CA--C 1.545 0.788 0 C-N-CA 125.265 1.426 . . . . 0.0 111.666 -177.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -71.57 -17.92 29.59 Favored 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 123.764 2.976 . . . . 0.0 116.463 -170.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -56.31 101.1 0.05 OUTLIER 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 126.056 1.742 . . . . 0.0 111.412 -177.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 86.62 14.09 66.22 Favored Glycine 0 CA--C 1.54 1.656 0 C-N-CA 124.443 1.02 . . . . 0.0 115.415 -177.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -90.84 -106.69 0.1 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.115 1.366 . . . . 0.0 111.003 177.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.6 t -155.57 167.56 29.97 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 126.144 1.778 . . . . 0.0 110.172 173.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.0 mp -66.98 -31.44 72.01 Favored 'General case' 0 C--O 1.222 -0.381 0 C-N-CA 124.309 1.043 . . . . 0.0 112.114 -174.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -61.87 -35.06 77.19 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.17 -0.956 . . . . 0.0 111.874 171.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 87.6 t -74.21 -37.53 46.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 123.52 0.728 . . . . 0.0 110.903 175.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -60.83 -49.09 78.9 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 119.092 0.86 . . . . 0.0 111.355 170.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -59.28 -39.35 82.64 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.524 1.13 . . . . 0.0 111.642 177.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 58.7 m -65.65 -38.93 90.74 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.419 0.687 . . . . 0.0 112.336 178.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 38.4 t -67.46 -46.67 82.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 O-C-N 121.284 -0.885 . . . . 0.0 111.36 169.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.62 -44.49 73.19 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.392 1.077 . . . . 0.0 112.496 -176.124 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -61.11 -37.72 94.4 Favored Glycine 0 CA--C 1.533 1.206 0 CA-C-N 118.044 0.383 . . . . 0.0 112.773 -179.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -79.11 -45.98 18.95 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.261 0.624 . . . . 0.0 111.481 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 48.2 t -55.97 -43.43 75.01 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 O-C-N 120.95 -1.094 . . . . 0.0 111.155 172.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 41.9 tttm -58.43 -54.33 48.28 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.557 1.143 . . . . 0.0 111.666 173.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -64.89 -36.63 84.98 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 118.88 0.764 . . . . 0.0 112.242 -174.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 28.9 mmm180 -64.09 -42.77 96.81 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 118.11 -0.948 . . . . 0.0 111.172 173.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 20.9 t -60.54 -51.16 76.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 CA-C-O 117.854 -1.07 . . . . 0.0 113.039 171.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -59.26 -35.58 73.97 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 120.745 1.611 . . . . 0.0 112.631 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.11 -27.3 61.62 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 177.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 47.0 tp -80.93 -49.02 11.51 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 124.257 1.023 . . . . 0.0 111.963 178.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 10.9 pt -64.1 -28.59 45.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 CA-C-N 119.1 0.864 . . . . 0.0 112.645 -175.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.0 -19.43 63.33 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 174.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -88.13 -44.24 11.06 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.974 1.31 . . . . 0.0 112.728 174.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.286 1.3 pp -100.36 -3.18 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 N-CA-C 116.822 2.156 . . . . 0.0 116.822 -169.65 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 66.7 p . . . . . 0 C--O 1.253 1.254 0 CA-C-N 120.192 1.36 . . . . 0.0 114.012 177.153 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.418 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 10.7 ttt . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 111.433 0.16 . . . . 0.0 111.433 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -130.52 164.94 23.76 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 125.76 1.624 . . . . 0.0 110.894 170.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -108.78 141.34 40.92 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.549 1.14 . . . . 0.0 112.054 -176.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.5 t -121.91 141.14 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 124.626 1.17 . . . . 0.0 109.75 179.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.7 tpp -131.28 134.36 46.32 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.69 0.796 . . . . 0.0 110.418 178.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -105.36 130.82 53.39 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 124.584 1.154 . . . . 0.0 111.098 -177.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.465 HG21 HD12 ' A' ' 65' ' ' ILE . 3.5 t -113.14 134.71 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 126.647 1.979 . . . . 0.0 109.483 172.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.3 t -135.28 171.03 15.02 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.717 1.207 . . . . 0.0 110.314 171.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.12 -26.89 64.17 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -172.018 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.62 4.29 1.73 Allowed 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 116.865 2.172 . . . . 0.0 116.865 170.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 53.62 33.0 15.48 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 126.389 1.875 . . . . 0.0 115.46 178.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.9 p -89.14 -41.77 12.07 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.935 1.294 . . . . 0.0 112.414 176.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.7 t -132.0 -156.93 0.78 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 126.976 2.11 . . . . 0.0 110.08 178.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 50.64 -89.95 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 127.335 2.254 . . . . 0.0 113.039 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.9 p -41.25 -43.76 2.47 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 126.815 2.046 . . . . 0.0 114.547 171.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -65.93 -35.66 81.21 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 121.132 -0.98 . . . . 0.0 112.645 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 43.8 mtt -70.39 -33.22 71.14 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.637 0.775 . . . . 0.0 111.819 172.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.83 -40.25 94.88 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.408 0.683 . . . . 0.0 112.018 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -62.65 -40.92 98.54 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.969 -0.457 . . . . 0.0 111.043 169.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.12 -48.8 80.73 Favored Glycine 0 N--CA 1.472 1.073 0 C-N-CA 124.191 0.901 . . . . 0.0 114.111 175.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -69.72 -45.32 68.47 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 118.623 1.211 . . . . 0.0 111.703 176.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.18 -41.81 94.24 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.551 -0.718 . . . . 0.0 112.643 -177.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -65.93 -25.22 67.03 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-N 119.769 1.168 . . . . 0.0 113.222 -179.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.5 m -89.85 -48.83 6.99 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.604 1.562 . . . . 0.0 112.347 179.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 69.7 mt -85.24 -30.83 23.52 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.676 1.19 . . . . 0.0 112.118 -173.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -100.14 15.28 59.31 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 126.72 2.105 . . . . 0.0 114.463 172.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -45.88 109.54 0.19 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.134 1.373 . . . . 0.0 113.754 -175.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.59 -18.4 15.2 Favored Glycine 0 CA--C 1.532 1.153 0 C-N-CA 124.822 1.201 . . . . 0.0 114.631 175.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 1' ' ' MET . 17.2 ptmt -85.8 -26.03 25.98 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 118.336 1.068 . . . . 0.0 112.63 169.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.3 pp -133.5 171.12 18.58 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 C-N-CA 123.941 0.896 . . . . 0.0 111.576 169.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -131.26 147.6 52.6 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.221 1.008 . . . . 0.0 109.505 168.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.64 151.31 20.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 N-CA-C 115.409 1.633 . . . . 0.0 115.409 -169.202 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.0 m -139.86 150.54 44.76 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.661 1.584 . . . . 0.0 110.061 177.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.6 t -122.29 139.69 53.51 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.816 1.646 . . . . 0.0 111.981 175.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 15.2 p -154.35 -177.79 6.69 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.735 1.614 . . . . 0.0 111.871 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -143.57 165.18 27.23 Favored Glycine 0 N--CA 1.468 0.775 0 O-C-N 120.261 -1.524 . . . . 0.0 112.193 169.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.551 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.6 OUTLIER -66.81 -10.39 47.25 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 118.386 1.093 . . . . 0.0 113.197 174.195 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -155.63 168.43 27.18 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 128.304 2.642 . . . . 0.0 108.664 169.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.2 t -118.36 146.8 44.11 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.255 1.022 . . . . 0.0 113.002 -171.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 35.1 t -126.83 -116.25 0.27 Allowed 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 126.651 1.98 . . . . 0.0 109.472 173.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.62 150.61 42.22 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 127.66 2.384 . . . . 0.0 109.482 172.366 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.2 t -58.42 132.24 23.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 CA-C-N 119.244 0.929 . . . . 0.0 109.823 170.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -78.96 124.59 84.77 Favored Pre-proline 0 N--CA 1.465 0.28 0 CA-C-O 119.075 -0.488 . . . . 0.0 110.552 -178.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -73.2 -21.4 20.29 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 121.062 1.174 . . . . 0.0 112.29 -170.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.8 m -74.49 -28.4 60.99 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 121.254 -0.904 . . . . 0.0 111.481 172.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.05 -42.69 95.01 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.841 1.2 . . . . 0.0 111.452 172.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -58.68 -45.39 90.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 123.582 0.753 . . . . 0.0 109.28 175.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.69 -43.43 98.83 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 178.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 11.6 mmt -70.17 -22.72 62.93 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.913 0.885 . . . . 0.0 112.481 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 78.8 mmm -82.42 -35.09 27.95 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.775 0.83 . . . . 0.0 111.858 169.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -64.8 -26.18 68.23 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 120.834 -1.166 . . . . 0.0 112.262 172.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -63.66 -17.83 63.34 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 172.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.4 m -114.98 13.34 8.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 125.754 1.622 . . . . 0.0 112.734 171.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.44 22.6 78.59 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 124.756 1.17 . . . . 0.0 115.2 176.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.3 mt -111.08 138.03 41.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 125.396 1.478 . . . . 0.0 109.656 179.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -99.64 134.72 42.12 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.394 1.078 . . . . 0.0 112.029 177.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.7 pt -130.65 14.52 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 C-N-CA 124.114 0.965 . . . . 0.0 111.943 169.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.0 m -69.9 -23.25 63.21 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.355 1.462 . . . . 0.0 113.893 -171.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -80.32 2.24 77.83 Favored Glycine 0 CA--C 1.539 1.57 0 C-N-CA 124.899 1.238 . . . . 0.0 114.717 175.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -99.2 158.79 15.45 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.332 1.453 . . . . 0.0 110.092 176.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.1 t -149.87 176.16 10.99 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 106.313 -1.736 . . . . 0.0 106.313 169.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.4 m -74.97 134.79 41.42 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.943 -177.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -139.4 145.28 43.47 Favored Pre-proline 0 CA--C 1.547 0.846 0 C-N-CA 124.689 1.195 . . . . 0.0 113.51 177.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -85.8 144.77 8.76 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 123.719 2.946 . . . . 0.0 113.684 -176.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.465 HD12 HG21 ' A' ' 7' ' ' VAL . 9.4 tt -56.61 -36.31 47.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 126.617 1.967 . . . . 0.0 111.771 177.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -60.88 -24.29 65.83 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -176.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -85.1 -15.1 45.05 Favored 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 177.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -100.74 177.3 5.03 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.777 1.231 . . . . 0.0 113.219 -171.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -117.6 97.54 5.92 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.97 1.708 . . . . 0.0 112.771 -171.361 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.453 ' HB2' ' CD2' ' A' ' 90' ' ' TRP . . . -57.62 -28.66 63.88 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 121.342 -0.849 . . . . 0.0 113.252 177.326 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -62.72 -36.22 82.27 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.962 1.705 . . . . 0.0 114.052 -176.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -87.05 -32.19 20.11 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -175.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -72.83 105.24 4.29 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 177.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -55.35 -31.45 61.74 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.815 0.846 . . . . 0.0 111.92 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 57.4 t -131.77 140.35 48.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 125.387 1.475 . . . . 0.0 110.202 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 51.1 t -126.81 139.32 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 123.99 0.916 . . . . 0.0 110.087 173.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 25.1 mm -126.81 133.28 68.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 124.352 1.061 . . . . 0.0 110.434 -174.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 45.0 t -99.54 136.5 39.38 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.819 0.848 . . . . 0.0 111.353 169.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.3 mp -132.4 42.32 3.12 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.831 1.652 . . . . 0.0 109.872 176.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 71.7 m -84.9 -28.87 25.65 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 115.263 1.579 . . . . 0.0 115.263 -169.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.96 49.92 4.1 Favored Glycine 0 CA--C 1.536 1.379 0 CA-C-N 119.091 0.86 . . . . 0.0 112.507 -171.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 63.4 m 61.41 177.56 0.11 Allowed 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 126.937 2.095 . . . . 0.0 114.129 -174.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 74.59 9.15 82.12 Favored Glycine 0 CA--C 1.539 1.585 0 C-N-CA 124.38 0.99 . . . . 0.0 115.161 -177.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 60.3 t -139.61 136.57 40.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 126.252 1.821 . . . . 0.0 109.446 -176.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -140.06 5.42 2.12 Favored 'General case' 0 CA--C 1.551 0.981 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 178.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.429 HD13 ' HB3' ' A' ' 90' ' ' TRP . 66.4 mt 41.92 68.27 2.74 Favored Pre-proline 0 N--CA 1.482 1.168 0 C-N-CA 126.508 1.923 . . . . 0.0 114.843 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -51.53 -29.41 31.89 Favored 'Trans proline' 0 CA--C 1.556 1.602 0 C-N-CA 123.284 2.656 . . . . 0.0 118.937 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_exo -75.24 -159.49 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.102 0 C-N-CA 122.851 2.367 . . . . 0.0 115.595 -177.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -57.98 -3.72 0.26 Allowed 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.981 1.712 . . . . 0.0 115.165 171.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.453 ' CD2' ' HB2' ' A' ' 70' ' ' ALA . 98.4 m95 -76.02 8.06 3.53 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.063 1.745 . . . . 0.0 115.277 173.183 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 34.7 m -132.94 10.63 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 125.073 1.349 . . . . 0.0 113.411 169.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 62.1 p -99.74 10.73 40.84 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.831 1.252 . . . . 0.0 112.931 -179.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 21.7 mp0 -59.57 177.04 0.22 Allowed 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 129.246 3.018 . . . . 0.0 114.118 177.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -65.5 -43.13 91.08 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.235 169.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 36.4 mt -137.42 141.08 40.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 125.431 1.493 . . . . 0.0 109.852 173.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -130.8 132.54 45.31 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.368 1.067 . . . . 0.0 108.797 168.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -135.05 152.69 51.92 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.431 1.093 . . . . 0.0 111.323 178.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -132.31 66.09 1.56 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.101 0.96 . . . . 0.0 111.773 -175.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -71.02 99.69 1.86 Allowed 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.031 -1.043 . . . . 0.0 110.303 179.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -78.9 124.08 27.88 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.4 -0.812 . . . . 0.0 110.724 -173.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 96.1 mt -139.95 151.45 45.56 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.687 1.595 . . . . 0.0 108.702 -179.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -71.87 160.37 32.67 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 121.553 0.692 . . . . 0.0 112.0 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.419 ' HA ' ' HD3' ' A' ' 104' ' ' PRO . 9.8 t70 -93.85 115.88 65.71 Favored Pre-proline 0 CA--C 1.547 0.839 0 CA-C-O 118.62 -0.705 . . . . 0.0 111.749 -178.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 103' ' ' ASP . 52.6 Cg_exo -73.43 -9.1 22.66 Favored 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 123.268 2.645 . . . . 0.0 116.765 -174.109 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -57.71 110.49 0.9 Allowed 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 119.913 1.233 . . . . 0.0 111.86 -176.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.64 15.81 80.46 Favored Glycine 0 CA--C 1.539 1.554 0 CA-C-O 119.101 -0.833 . . . . 0.0 114.712 -179.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -85.65 -96.67 0.07 Allowed 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 118.374 1.087 . . . . 0.0 110.863 178.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 53.9 p -159.44 162.01 35.6 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 126.563 1.945 . . . . 0.0 109.344 172.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.9 mp -69.83 -24.78 63.5 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.51 -0.744 . . . . 0.0 111.313 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -66.29 -39.19 89.21 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 121.053 -1.03 . . . . 0.0 111.44 169.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.2 t -66.89 -40.71 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 O-C-N 121.222 -0.924 . . . . 0.0 110.958 172.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.403 ' CE1' ' HB2' ' A' ' 104' ' ' PRO . 12.2 m-85 -59.01 -49.04 79.43 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 119.817 1.19 . . . . 0.0 111.56 173.19 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 81.2 mtt-85 -60.14 -39.26 85.7 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.879 0.871 . . . . 0.0 111.792 177.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 98.5 m -64.2 -46.11 85.36 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.069 0.947 . . . . 0.0 111.457 177.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 57.3 t -68.74 -46.36 79.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 123.568 0.747 . . . . 0.0 110.984 177.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 49.4 ttp180 -52.52 -48.56 65.97 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.581 1.552 . . . . 0.0 112.113 176.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -58.92 -38.46 92.65 Favored Glycine 0 N--CA 1.472 1.043 0 C-N-CA 124.0 0.809 . . . . 0.0 113.071 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -74.57 -46.98 35.23 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 117.928 0.864 . . . . 0.0 112.412 173.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 99.6 t -52.82 -40.51 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 CA-C-N 120.218 1.372 . . . . 0.0 111.394 175.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 38.0 tttm -57.8 -57.6 12.03 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.884 0.874 . . . . 0.0 111.742 171.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -66.34 -35.12 79.56 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -173.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -64.66 -41.81 95.83 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.49 1.041 . . . . 0.0 110.398 175.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 11.8 t -62.65 -50.49 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 CA-C-O 117.592 -1.194 . . . . 0.0 113.114 170.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -57.45 -35.69 70.44 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 121.298 1.863 . . . . 0.0 113.019 178.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -25.31 59.68 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 112.997 0.739 . . . . 0.0 112.997 178.358 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 59.3 tp -82.82 -47.89 11.39 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.554 1.141 . . . . 0.0 111.851 177.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 11.8 pt -63.79 -29.27 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 CA-C-N 119.533 1.061 . . . . 0.0 112.699 -175.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.13 -21.83 64.91 Favored 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 174.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -86.18 -42.52 13.76 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.244 1.418 . . . . 0.0 112.871 175.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.293 1.4 pp -104.32 2.17 10.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 N-CA-C 116.45 2.019 . . . . 0.0 116.45 -170.261 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 32.3 t . . . . . 0 C--O 1.255 1.365 0 CA-C-N 119.344 0.975 . . . . 0.0 112.267 169.65 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.416 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 11.5 ttt . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 119.911 -0.09 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -130.77 164.29 25.44 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 125.87 1.668 . . . . 0.0 112.051 174.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -107.02 136.7 46.44 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.027 1.331 . . . . 0.0 110.963 -177.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.3 t -122.38 139.94 47.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 124.225 1.01 . . . . 0.0 109.923 177.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 8.2 tpp -131.22 133.95 45.97 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.024 0.93 . . . . 0.0 110.67 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -112.32 118.06 34.2 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.723 1.209 . . . . 0.0 112.169 -173.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.4 t -96.16 138.59 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 126.52 1.928 . . . . 0.0 111.515 174.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 48.9 t -137.29 178.32 7.19 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.866 1.667 . . . . 0.0 109.305 169.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -54.96 -60.74 2.95 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 120.009 1.277 . . . . 0.0 112.206 178.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -126.03 16.43 7.91 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 115.402 1.63 . . . . 0.0 115.402 -177.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 52.21 37.01 20.82 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 127.1 2.16 . . . . 0.0 113.739 -176.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.9 p -91.15 -49.49 6.36 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.904 1.681 . . . . 0.0 112.402 -179.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.6 t -131.77 179.18 6.22 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.968 1.707 . . . . 0.0 110.691 -178.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.1 mtt85 54.53 -73.08 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 128.089 2.556 . . . . 0.0 114.37 -171.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.7 p -51.61 -38.94 56.9 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 126.439 1.895 . . . . 0.0 113.77 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -71.39 -36.04 71.27 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.31 0.644 . . . . 0.0 111.67 177.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 45.4 mtt -68.43 -40.25 81.24 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.68 0.792 . . . . 0.0 111.08 171.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.41 -43.72 88.74 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.027 0.931 . . . . 0.0 111.631 177.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 -61.02 -40.45 93.63 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.5 0.72 . . . . 0.0 111.309 169.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.08 -51.02 59.91 Favored Glycine 0 N--CA 1.472 1.061 0 C-N-CA 125.75 1.643 . . . . 0.0 115.319 173.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -67.55 -46.33 73.07 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.751 1.776 . . . . 0.0 110.131 176.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.1 -41.72 90.24 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 113.21 0.818 . . . . 0.0 113.21 -173.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -62.01 -26.9 68.5 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-N 119.307 0.958 . . . . 0.0 113.005 178.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.6 m -90.35 -52.38 4.95 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.954 1.701 . . . . 0.0 112.699 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 76.6 mt -85.11 -29.4 24.87 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.181 1.392 . . . . 0.0 112.327 -171.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -98.81 11.85 62.6 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 126.172 1.844 . . . . 0.0 114.452 173.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.5 111.42 0.49 Allowed 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 119.234 1.517 . . . . 0.0 113.392 -173.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.15 -18.28 23.45 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 124.715 1.15 . . . . 0.0 115.036 176.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 1' ' ' MET . 16.8 ptmt -88.74 -26.06 21.97 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.299 1.04 . . . . 0.0 112.706 169.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 pp -133.98 170.82 19.02 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 123.968 0.907 . . . . 0.0 111.987 169.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.5 145.18 51.19 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.141 0.976 . . . . 0.0 109.599 168.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -140.37 151.03 21.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 N-CA-C 115.174 1.546 . . . . 0.0 115.174 -169.378 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.9 m -145.75 151.09 37.41 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.902 1.681 . . . . 0.0 109.139 178.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 89.0 p -124.33 150.26 45.67 Favored 'General case' 0 N--CA 1.468 0.425 0 O-C-N 120.944 -1.098 . . . . 0.0 111.839 169.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 15.8 p -153.91 -176.17 5.72 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.446 1.498 . . . . 0.0 110.664 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -153.56 168.54 32.17 Favored Glycine 0 C--O 1.223 -0.562 0 O-C-N 120.323 -1.486 . . . . 0.0 112.759 171.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.499 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -66.29 -12.87 59.05 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 118.634 1.217 . . . . 0.0 112.932 174.716 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -138.44 176.64 8.52 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 127.766 2.427 . . . . 0.0 109.55 169.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.8 p -136.38 144.89 44.8 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.147 1.379 . . . . 0.0 111.31 171.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 40.5 m -137.4 -75.66 0.41 Allowed 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.156 0.583 . . . . 0.0 112.481 170.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.15 161.79 22.45 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 126.841 2.057 . . . . 0.0 109.843 169.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.8 t -62.42 137.52 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 CA-C-N 119.498 1.045 . . . . 0.0 108.512 169.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -66.24 124.55 88.29 Favored Pre-proline 0 N--CA 1.466 0.371 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 174.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.43 -24.96 30.62 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 CA-C-N 120.298 1.142 . . . . 0.0 112.205 -169.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.1 m -71.95 -29.35 64.18 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.441 -0.787 . . . . 0.0 111.932 173.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.59 -44.49 93.34 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 120.625 -1.297 . . . . 0.0 111.523 174.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.1 mt -59.0 -43.82 89.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.847 0.859 . . . . 0.0 110.81 174.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.85 -37.12 86.19 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 177.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 14.4 mmt -74.46 -29.17 61.35 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.988 1.315 . . . . 0.0 112.768 178.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 85.1 mmm -75.78 -31.97 59.71 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.696 0.68 . . . . 0.0 111.514 169.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -68.61 -23.36 64.44 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.361 -0.837 . . . . 0.0 113.224 174.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -60.48 -32.34 71.33 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.851 1.205 . . . . 0.0 112.705 171.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.1 m -98.44 10.63 6.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 125.033 1.333 . . . . 0.0 112.526 176.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.9 19.34 78.18 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 124.83 1.205 . . . . 0.0 114.759 176.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 63.7 mt -101.87 129.61 52.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 124.734 1.214 . . . . 0.0 110.18 -179.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -97.14 118.74 34.24 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -177.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 9.4 pt -122.23 14.26 5.74 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 C-N-CA 125.049 1.34 . . . . 0.0 111.893 169.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.2 m -65.25 -30.83 71.74 Favored 'General case' 0 N--CA 1.48 1.057 0 O-C-N 120.74 -1.225 . . . . 0.0 113.063 -172.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -83.31 3.09 85.89 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 124.803 1.192 . . . . 0.0 114.95 176.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -86.61 158.8 19.41 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.348 1.574 . . . . 0.0 110.896 176.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 23.7 p -140.94 161.36 38.0 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 127.917 2.487 . . . . 0.0 107.682 -178.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 65.3 p -87.53 137.63 32.18 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.515 -0.74 . . . . 0.0 112.731 178.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -137.72 146.67 53.94 Favored Pre-proline 0 N--CA 1.478 0.963 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 -178.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -87.65 146.0 6.93 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 123.623 2.882 . . . . 0.0 113.912 -172.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.7 tt -55.87 -35.34 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 127.508 2.323 . . . . 0.0 112.153 178.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -60.39 -23.96 64.75 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.641 1.177 . . . . 0.0 113.947 -178.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.06 -14.25 34.21 Favored 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 178.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -96.14 171.83 8.36 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.637 1.175 . . . . 0.0 113.501 -169.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -121.26 86.65 2.61 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.461 1.505 . . . . 0.0 112.452 -169.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.88 -34.27 27.49 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -178.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -58.99 -26.38 64.46 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.337 1.455 . . . . 0.0 114.184 -178.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -93.41 0.99 57.03 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 178.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -106.62 103.21 12.61 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.188 -0.945 . . . . 0.0 108.815 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -51.71 -38.57 55.74 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.48 0.712 . . . . 0.0 111.186 175.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 38.5 t -126.81 136.58 60.38 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 C-N-CA 124.102 0.961 . . . . 0.0 110.422 177.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 48.7 t -121.44 137.76 54.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 123.781 0.833 . . . . 0.0 109.697 170.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 30.3 mm -123.42 137.49 56.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 124.554 1.142 . . . . 0.0 109.748 -177.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.0 t -105.28 135.84 45.9 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.415 0.686 . . . . 0.0 110.758 169.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.2 mp -129.56 41.06 3.5 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.356 1.463 . . . . 0.0 109.896 -178.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 20.1 m -110.25 -19.42 13.01 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 115.591 1.7 . . . . 0.0 115.591 -169.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.59 -168.91 28.28 Favored Glycine 0 CA--C 1.539 1.55 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 -168.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 8.6 t -68.87 -21.81 64.24 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -170.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -69.87 0.87 18.97 Favored Glycine 0 CA--C 1.536 1.384 0 N-CA-C 116.227 1.251 . . . . 0.0 116.227 -173.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 30.9 t -135.57 134.89 51.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 125.504 1.522 . . . . 0.0 111.506 -169.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -134.98 -6.07 2.38 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 115.707 1.743 . . . . 0.0 115.707 -177.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.5 mt 44.24 65.8 5.6 Favored Pre-proline 0 CA--C 1.555 1.142 0 C-N-CA 126.341 1.856 . . . . 0.0 114.806 -179.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -51.17 -28.64 26.3 Favored 'Trans proline' 0 CA--C 1.555 1.539 0 N-CA-C 119.196 2.729 . . . . 0.0 119.196 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -76.12 -160.83 0.12 Allowed 'Trans proline' 0 CA--C 1.549 1.247 0 C-N-CA 122.713 2.275 . . . . 0.0 114.655 -177.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -58.07 -8.81 1.15 Allowed 'General case' 0 N--CA 1.478 0.97 0 O-C-N 120.073 -1.642 . . . . 0.0 115.009 175.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 89.3 m95 -58.67 -16.77 17.78 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.797 1.639 . . . . 0.0 114.714 171.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.6 m -117.77 1.95 7.69 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 174.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 37.4 p -94.14 2.1 56.01 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.142 0.977 . . . . 0.0 113.054 176.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 -71.8 175.16 5.98 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.284 1.034 . . . . 0.0 112.055 174.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -63.81 -36.66 84.62 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 113.083 0.771 . . . . 0.0 113.083 -169.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 44.5 mt -137.23 137.82 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.019 0.927 . . . . 0.0 110.504 170.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -128.17 133.31 48.89 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.346 1.058 . . . . 0.0 109.515 168.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -135.57 150.55 49.74 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.473 1.109 . . . . 0.0 111.181 174.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -120.3 112.58 19.21 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 122.049 0.928 . . . . 0.0 111.616 173.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.468 ' CE2' ' HB3' ' A' ' 122' ' ' ARG . 37.3 m0 -100.25 78.32 2.04 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 126.087 1.755 . . . . 0.0 109.894 -174.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -73.87 118.94 17.41 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.028 0.531 . . . . 0.0 110.333 -178.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 81.0 mt -135.26 171.18 14.8 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.486 1.914 . . . . 0.0 110.095 177.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -68.43 177.61 2.31 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.622 0.769 . . . . 0.0 112.516 176.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -117.92 98.25 51.41 Favored Pre-proline 0 CA--C 1.548 0.882 0 C-N-CA 124.623 1.169 . . . . 0.0 112.403 -169.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -70.41 -15.09 34.61 Favored 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 123.79 2.993 . . . . 0.0 117.265 -169.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -57.57 113.46 1.81 Allowed 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 119.571 1.078 . . . . 0.0 112.236 -176.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.33 15.02 81.79 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 123.861 0.743 . . . . 0.0 114.036 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -88.37 -105.73 0.08 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.33 1.052 . . . . 0.0 110.742 177.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 67.0 m -154.35 156.54 37.08 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.939 2.096 . . . . 0.0 109.365 -176.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 67.5 mt -62.36 -34.63 77.04 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.377 -0.827 . . . . 0.0 112.249 178.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -58.44 -37.37 75.28 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.573 0.749 . . . . 0.0 112.211 172.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 56.7 t -74.08 -38.57 49.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 O-C-N 122.047 -0.408 . . . . 0.0 110.515 178.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -60.19 -46.89 88.18 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 118.21 0.459 . . . . 0.0 111.299 170.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 59.3 mtp85 -60.28 -39.54 87.25 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.967 1.307 . . . . 0.0 112.162 176.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 56.0 m -64.33 -38.66 91.83 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.575 1.15 . . . . 0.0 112.093 176.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 53.6 t -72.92 -50.16 34.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 O-C-N 121.685 -0.635 . . . . 0.0 111.209 172.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -46.6 -52.09 14.3 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 126.645 1.978 . . . . 0.0 112.096 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -59.73 -42.29 97.9 Favored Glycine 0 N--CA 1.473 1.13 0 C-N-CA 123.796 0.712 . . . . 0.0 113.725 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -72.82 -36.62 67.54 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.226 -1.161 . . . . 0.0 112.032 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 41.1 t -66.37 -41.8 89.46 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 O-C-N 121.023 -1.048 . . . . 0.0 110.787 172.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -56.73 -46.78 81.12 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.34 1.056 . . . . 0.0 110.924 171.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -56.67 -52.79 63.56 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.083 0.553 . . . . 0.0 111.835 174.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.496 ' HA ' HD22 ' A' ' 125' ' ' ASN . 24.5 mmm180 -60.88 -36.44 79.19 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 118.302 -0.856 . . . . 0.0 111.376 -176.392 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 52.3 t -65.71 -54.7 24.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-O 117.621 -1.181 . . . . 0.0 113.962 169.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -58.71 -36.18 73.85 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 121.062 1.755 . . . . 0.0 112.056 -178.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.496 HD22 ' HA ' ' A' ' 122' ' ' ARG . 0.0 OUTLIER -77.32 -26.78 52.49 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 179.336 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 56.2 tp -73.91 -51.5 15.94 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 124.367 1.067 . . . . 0.0 112.876 170.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 11.2 pt -62.24 -29.62 47.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 CA-C-N 119.54 1.064 . . . . 0.0 111.958 -174.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.96 -23.08 66.53 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 176.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -96.44 -32.89 12.1 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 114.973 1.471 . . . . 0.0 114.973 175.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.275 1.8 pp -101.1 -5.93 9.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 N-CA-C 117.14 2.274 . . . . 0.0 117.14 -177.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 48.3 m . . . . . 0 C--O 1.254 1.323 0 CA-C-N 120.504 1.502 . . . . 0.0 113.012 177.544 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.462 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 15.6 ttt . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 119.624 -0.227 . . . . 0.0 111.436 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 42.7 mttm -130.33 163.91 25.79 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 125.451 1.5 . . . . 0.0 112.355 174.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -104.99 137.12 43.22 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.606 1.162 . . . . 0.0 111.216 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.5 t -124.21 138.84 52.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 124.571 1.148 . . . . 0.0 109.721 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 5.4 tpp -131.76 133.43 44.76 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.708 0.803 . . . . 0.0 110.035 -177.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -104.48 140.86 37.34 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.609 0.764 . . . . 0.0 111.763 -176.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.3 t -122.12 127.64 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 126.68 1.992 . . . . 0.0 110.28 174.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 40.4 t -126.76 172.08 10.65 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.906 1.683 . . . . 0.0 108.8 169.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.1 ttpp -61.27 -52.42 64.81 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 119.245 0.93 . . . . 0.0 111.744 -175.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.337 0.2 OUTLIER -120.91 9.46 10.64 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 117.312 2.338 . . . . 0.0 117.312 175.879 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 54.23 27.81 8.34 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 116.012 1.856 . . . . 0.0 116.012 178.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.4 p -87.4 -38.5 16.11 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.507 1.523 . . . . 0.0 111.946 174.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.5 t -139.95 -176.67 4.67 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.779 1.632 . . . . 0.0 110.693 -176.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 77.5 mtm180 57.71 -80.34 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 126.892 2.077 . . . . 0.0 113.178 -174.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 56.8 p -45.72 -42.97 12.42 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 127.251 2.22 . . . . 0.0 114.453 176.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -71.38 -36.48 71.43 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 121.777 -0.577 . . . . 0.0 111.086 -178.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 54.8 mtm -73.66 -30.63 63.03 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 121.149 -0.969 . . . . 0.0 112.002 173.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.8 97.96 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.959 0.904 . . . . 0.0 111.563 171.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -62.81 -41.17 99.19 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 119.134 -0.46 . . . . 0.0 111.532 170.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.65 -47.91 68.35 Favored Glycine 0 N--CA 1.474 1.181 0 C-N-CA 125.007 1.289 . . . . 0.0 114.513 174.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -70.86 -44.72 65.8 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 118.801 1.301 . . . . 0.0 112.116 175.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.73 -38.84 90.26 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -177.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -67.84 -25.56 65.61 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 119.755 1.161 . . . . 0.0 113.155 178.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.3 m -86.07 -55.98 3.68 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.381 1.472 . . . . 0.0 112.757 175.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 71.4 mt -82.63 -22.43 34.71 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.342 1.457 . . . . 0.0 112.655 -172.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -102.1 8.76 55.94 Favored Glycine 0 CA--C 1.53 0.996 0 C-N-CA 126.609 2.052 . . . . 0.0 114.324 174.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.34 112.84 0.75 Allowed 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 119.728 1.764 . . . . 0.0 112.561 -179.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.21 -22.23 8.82 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 124.776 1.179 . . . . 0.0 114.34 -178.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 1' ' ' MET . 34.8 mtpt -75.7 -39.03 58.1 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.98 1.312 . . . . 0.0 111.019 169.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.4 pp -142.68 171.31 10.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 125.178 1.391 . . . . 0.0 112.326 -176.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -126.09 142.15 51.64 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.869 1.268 . . . . 0.0 108.633 168.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.08 148.39 27.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 N-CA-C 114.749 1.389 . . . . 0.0 114.749 -169.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.6 m -137.95 146.15 42.87 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.281 1.433 . . . . 0.0 109.963 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.2 t -115.13 136.37 53.19 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.745 1.218 . . . . 0.0 112.247 176.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 12.0 p -150.53 -177.94 6.26 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.471 1.108 . . . . 0.0 112.75 177.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -155.11 166.06 32.44 Favored Glycine 0 N--CA 1.465 0.602 0 O-C-N 120.401 -1.437 . . . . 0.0 112.388 171.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.54 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -67.57 -12.19 59.81 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 118.341 1.07 . . . . 0.0 113.256 174.083 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -136.91 166.75 22.9 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 127.876 2.47 . . . . 0.0 107.808 169.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.0 p -135.8 118.06 15.6 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.211 -0.93 . . . . 0.0 112.81 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.3 t -141.74 146.25 35.78 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 126.168 1.787 . . . . 0.0 110.107 169.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -31.43 140.93 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 129.472 3.109 . . . . 0.0 115.669 -174.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.6 t -54.86 130.58 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 172.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -65.42 123.79 85.35 Favored Pre-proline 0 C--O 1.234 0.256 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 178.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.76 -22.52 31.98 Favored 'Trans proline' 0 CA--C 1.54 0.797 0 CA-C-N 120.212 1.111 . . . . 0.0 112.014 -168.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 55.9 m -68.04 -27.71 66.76 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.065 -1.022 . . . . 0.0 111.842 171.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.62 98.99 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 120.431 -1.418 . . . . 0.0 111.83 173.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mp -56.21 -49.16 77.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 171.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.68 -36.44 82.9 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 -177.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 10.3 mmt -76.27 -29.65 57.52 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 123.938 0.895 . . . . 0.0 111.703 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 84.6 mmm -74.51 -30.59 61.86 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.163 0.892 . . . . 0.0 111.789 169.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -66.94 -25.28 66.27 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.739 -1.226 . . . . 0.0 112.905 174.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -62.61 -28.15 69.69 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 119.876 1.216 . . . . 0.0 112.835 174.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.0 m -102.13 10.28 8.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 125.632 1.573 . . . . 0.0 112.524 176.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.66 23.03 78.63 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.991 1.281 . . . . 0.0 115.424 176.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 71.1 mt -109.16 142.19 22.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 125.389 1.476 . . . . 0.0 110.055 -178.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -111.42 121.5 45.36 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.012 0.925 . . . . 0.0 112.892 -176.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.5 pt -126.28 23.32 3.16 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 C-N-CA 125.182 1.393 . . . . 0.0 111.885 169.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 95.9 p -78.16 -24.76 47.16 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 120.786 -1.196 . . . . 0.0 113.416 179.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -85.65 13.09 57.4 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 125.376 1.465 . . . . 0.0 115.281 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -127.62 163.38 24.35 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.221 1.511 . . . . 0.0 112.113 -178.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 37.1 p -137.27 170.39 16.16 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 127.375 2.27 . . . . 0.0 108.174 -169.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.1 p -85.14 147.18 26.75 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 177.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -143.38 145.44 32.02 Favored Pre-proline 0 CA--C 1.55 0.972 0 C-N-CA 124.024 0.929 . . . . 0.0 113.232 177.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -86.6 146.99 8.4 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 123.406 2.737 . . . . 0.0 113.446 -173.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.7 tt -54.88 -34.21 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 127.061 2.145 . . . . 0.0 111.849 177.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -59.25 -26.57 65.02 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.495 1.518 . . . . 0.0 114.081 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.51 -13.09 38.19 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 179.239 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -98.25 170.58 8.78 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.894 1.278 . . . . 0.0 113.519 -169.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -122.56 85.36 2.4 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.323 1.449 . . . . 0.0 112.188 -169.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.79 -35.09 42.74 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -178.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -55.87 -26.53 47.45 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.049 1.74 . . . . 0.0 114.488 -178.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -83.79 -31.6 25.81 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 175.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -79.33 108.45 12.86 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.566 0.746 . . . . 0.0 109.288 -172.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -51.2 -36.46 41.57 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.678 0.791 . . . . 0.0 111.291 174.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 38.6 t -133.56 138.5 50.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 C-N-CA 124.227 1.011 . . . . 0.0 111.235 -178.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 52.0 t -123.76 137.2 57.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.225 1.01 . . . . 0.0 110.518 173.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 29.7 mm -129.46 111.1 21.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 124.365 1.066 . . . . 0.0 110.942 -171.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.7 t -84.7 145.74 27.79 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.666 -0.646 . . . . 0.0 109.329 168.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.9 mp -130.71 21.56 5.05 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.465 1.106 . . . . 0.0 111.003 169.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 72.4 m -70.35 -40.82 73.85 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 115.208 1.558 . . . . 0.0 115.208 -168.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 93.19 -151.63 20.51 Favored Glycine 0 CA--C 1.533 1.208 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 -169.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 13.2 t -64.82 154.03 38.28 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 123.827 0.851 . . . . 0.0 112.51 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 86.28 2.04 85.77 Favored Glycine 0 CA--C 1.534 1.269 0 N-CA-C 115.806 1.082 . . . . 0.0 115.806 174.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 81.1 t -134.06 133.41 55.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 CA-C-N 118.95 1.375 . . . . 0.0 113.197 -175.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -142.45 156.8 45.21 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.739 2.416 . . . . 0.0 107.518 169.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 79.0 mt -118.59 67.83 7.64 Favored Pre-proline 0 N--CA 1.476 0.833 0 C-N-CA 124.675 1.19 . . . . 0.0 111.487 -176.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -59.37 -16.63 35.97 Favored 'Trans proline' 0 CA--C 1.556 1.597 0 N-CA-C 118.809 2.58 . . . . 0.0 118.809 -174.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -74.39 -159.46 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 CA-C-N 123.603 2.322 . . . . 0.0 114.4 175.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -53.06 -14.56 0.63 Allowed 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.772 1.629 . . . . 0.0 115.159 172.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -59.51 -17.03 28.5 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.08 1.752 . . . . 0.0 115.198 173.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 34.0 m -119.86 2.57 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 174.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 43.0 p -90.37 1.11 56.92 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.893 0.877 . . . . 0.0 112.988 176.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 70.6 mm-40 -74.36 176.07 7.08 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.184 0.994 . . . . 0.0 112.196 178.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -65.68 -37.49 86.64 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.67 -0.644 . . . . 0.0 112.706 -169.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 46.7 mt -136.67 136.13 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 123.96 0.904 . . . . 0.0 109.973 169.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -124.35 135.12 53.08 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.251 1.021 . . . . 0.0 109.623 169.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -129.33 156.48 43.96 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.096 0.958 . . . . 0.0 112.022 175.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -137.26 80.59 1.82 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.809 1.244 . . . . 0.0 109.668 178.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 29.2 m95 -82.68 79.84 8.96 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.74 0.781 . . . . 0.0 110.263 -178.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -64.52 127.7 32.62 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.31 0.644 . . . . 0.0 111.187 -176.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 76.6 mt -140.44 166.01 25.88 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 126.154 1.782 . . . . 0.0 110.15 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -71.77 167.14 20.56 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.121 0.968 . . . . 0.0 111.935 173.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -105.47 111.51 64.87 Favored Pre-proline 0 CA--C 1.547 0.857 0 C-N-CA 124.257 1.023 . . . . 0.0 111.795 -177.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -72.72 -11.76 26.17 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 123.131 2.554 . . . . 0.0 117.213 -172.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -56.85 115.13 2.4 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 119.414 1.006 . . . . 0.0 112.324 -178.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.0 13.99 80.57 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 123.982 0.801 . . . . 0.0 114.467 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -88.12 -96.49 0.09 Allowed 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 118.237 1.018 . . . . 0.0 110.833 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 64.7 p -161.08 164.19 30.94 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 126.343 1.857 . . . . 0.0 110.069 175.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 67.8 mt -63.35 -36.21 82.95 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 121.579 -0.701 . . . . 0.0 111.637 174.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -59.18 -38.74 80.54 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.788 -0.57 . . . . 0.0 112.12 172.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 68.6 t -71.09 -38.25 70.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 O-C-N 121.105 -0.997 . . . . 0.0 111.695 174.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -60.22 -46.83 88.41 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.701 1.137 . . . . 0.0 111.381 171.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -62.18 -38.79 90.44 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.46 1.104 . . . . 0.0 111.831 177.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 51.8 m -62.52 -38.81 91.39 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.512 1.125 . . . . 0.0 111.897 175.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 41.3 t -73.09 -48.35 44.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 O-C-N 121.441 -0.787 . . . . 0.0 111.155 173.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -51.97 -48.84 64.18 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 126.093 1.757 . . . . 0.0 112.273 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -62.56 -37.38 94.63 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 123.486 0.565 . . . . 0.0 113.422 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -74.71 -46.32 38.4 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.895 -0.767 . . . . 0.0 111.331 176.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 93.7 t -54.16 -42.3 55.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 O-C-N 121.098 -1.001 . . . . 0.0 111.64 173.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -59.17 -56.26 24.45 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.249 1.02 . . . . 0.0 111.528 173.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -63.97 -37.72 88.43 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 118.464 0.574 . . . . 0.0 112.099 -174.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -63.69 -42.37 98.0 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 118.895 0.77 . . . . 0.0 110.252 178.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 7.5 t -63.54 -48.17 88.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-O 117.823 -1.084 . . . . 0.0 113.134 171.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -60.39 -36.26 77.68 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 121.026 1.739 . . . . 0.0 112.366 178.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.34 -23.98 60.3 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 179.083 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 50.4 tp -84.89 -51.02 7.03 Favored 'General case' 0 C--O 1.225 -0.192 0 C-N-CA 125.089 1.356 . . . . 0.0 111.286 178.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.2 pt -61.1 -33.39 55.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 CA-C-N 119.26 0.937 . . . . 0.0 111.388 -176.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.56 -19.79 65.85 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 178.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -98.78 -33.5 10.88 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 174.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.255 2.0 pp -98.68 -1.82 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 N-CA-C 116.016 1.858 . . . . 0.0 116.016 -179.208 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 40.2 m . . . . . 0 C--O 1.256 1.419 0 CA-C-N 119.743 1.156 . . . . 0.0 112.538 174.274 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.0 ttm . . . . . 0 N--CA 1.493 1.68 0 N-CA-C 111.419 0.155 . . . . 0.0 111.419 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -128.53 163.65 24.51 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 126.131 1.772 . . . . 0.0 110.03 169.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.4 ' HB2' ' HE2' ' A' ' 3' ' ' LYS . 1.6 mppt? -108.93 141.4 41.06 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.223 1.009 . . . . 0.0 111.734 -174.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.7 t -120.71 137.79 53.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 123.993 0.917 . . . . 0.0 110.458 175.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 5.1 tpp -124.87 131.13 53.47 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 124.203 1.001 . . . . 0.0 110.439 176.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -105.79 124.58 49.8 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 125.003 1.321 . . . . 0.0 110.695 -176.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.432 HG21 HD12 ' A' ' 65' ' ' ILE . 2.4 t -104.88 131.42 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 125.86 1.664 . . . . 0.0 110.415 174.089 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 39.7 t -130.81 169.82 15.21 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.246 1.019 . . . . 0.0 109.326 169.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -62.79 -46.43 88.05 Favored 'General case' 0 N--CA 1.485 1.281 0 O-C-N 120.973 -1.079 . . . . 0.0 113.402 -169.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.317 0.1 OUTLIER -124.41 19.09 8.91 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 174.256 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 47.54 43.48 16.07 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 127.751 2.42 . . . . 0.0 115.45 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.2 p -98.14 -48.32 5.15 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 -169.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 14.5 p -134.28 -67.78 0.57 Allowed 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 -169.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 71.6 mtm180 -56.42 -47.62 78.67 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 124.432 1.093 . . . . 0.0 113.705 -169.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.9 p -69.86 -33.22 71.96 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.231 1.012 . . . . 0.0 112.584 176.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -70.74 -37.9 73.48 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 121.685 -0.634 . . . . 0.0 111.098 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 32.6 mtt -64.62 -37.02 86.14 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.152 0.981 . . . . 0.0 112.194 169.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.68 -44.72 85.36 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.875 -0.515 . . . . 0.0 111.229 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -60.87 -43.29 98.6 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 119.124 -0.465 . . . . 0.0 110.917 169.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.65 -44.97 69.11 Favored Glycine 0 N--CA 1.471 1.007 0 C-N-CA 124.598 1.094 . . . . 0.0 115.026 176.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -79.5 -42.85 24.3 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 118.775 1.287 . . . . 0.0 111.373 178.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.66 -39.77 94.27 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 119.259 0.936 . . . . 0.0 112.583 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -66.36 -23.85 66.41 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-N 119.328 0.967 . . . . 0.0 113.349 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.2 m -90.06 -50.53 5.96 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.73 1.612 . . . . 0.0 112.441 177.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 74.1 mt -84.03 -29.34 26.99 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.756 1.222 . . . . 0.0 112.348 -171.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -98.8 12.74 62.62 Favored Glycine 0 CA--C 1.532 1.094 0 C-N-CA 126.514 2.007 . . . . 0.0 114.303 173.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.74 113.57 1.03 Allowed 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.294 1.038 . . . . 0.0 113.15 -174.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.09 -7.78 76.48 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.207 0.908 . . . . 0.0 114.561 175.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -103.94 -28.58 11.48 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.225 1.41 . . . . 0.0 112.864 169.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -128.2 173.67 12.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 123.636 0.774 . . . . 0.0 112.906 170.424 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.74 141.95 47.74 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.52 1.128 . . . . 0.0 109.148 169.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.6 m -140.11 151.79 21.72 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 -169.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.1 m -141.29 149.33 41.12 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.079 1.351 . . . . 0.0 110.431 -177.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.2 t -116.83 137.9 51.88 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.912 1.685 . . . . 0.0 111.475 173.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 14.0 p -150.7 -177.73 6.16 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.308 1.443 . . . . 0.0 112.498 174.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -152.22 163.84 30.33 Favored Glycine 0 N--CA 1.466 0.649 0 O-C-N 119.897 -1.752 . . . . 0.0 113.266 171.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.574 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -64.75 -16.51 63.08 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 121.823 -0.81 . . . . 0.0 112.687 172.253 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -140.4 167.59 21.8 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 127.126 2.17 . . . . 0.0 107.819 168.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.3 m -152.76 138.64 18.04 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 120.968 -1.083 . . . . 0.0 112.198 -177.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.1 t -134.6 -74.29 0.47 Allowed 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 176.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.47 156.41 35.22 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.892 1.277 . . . . 0.0 111.996 171.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.0 t -60.49 132.08 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 169.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -65.9 124.0 86.44 Favored Pre-proline 0 CA--C 1.531 0.216 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 176.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -69.51 -24.94 30.28 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 CA-C-N 120.257 1.127 . . . . 0.0 111.861 -169.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.0 m -70.48 -28.38 64.94 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.35 -0.844 . . . . 0.0 111.943 172.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.54 -45.61 93.24 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 119.839 1.2 . . . . 0.0 111.51 173.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.1 mt -58.62 -45.97 90.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 123.479 0.711 . . . . 0.0 110.228 174.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.9 -38.02 86.78 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 178.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 21.5 mmt -73.55 -27.15 61.18 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 125.054 1.342 . . . . 0.0 112.57 178.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 83.6 mmm -78.02 -31.82 50.73 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.884 0.765 . . . . 0.0 111.281 169.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -67.1 -24.82 65.98 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.115 -0.99 . . . . 0.0 112.98 174.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -60.22 -31.56 70.28 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.714 1.143 . . . . 0.0 112.616 172.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 31.8 m -99.51 10.32 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 125.134 1.374 . . . . 0.0 112.62 177.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.2 20.74 79.28 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 124.845 1.212 . . . . 0.0 114.929 177.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 64.4 mt -105.19 140.08 24.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 125.27 1.428 . . . . 0.0 109.714 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -109.56 125.8 52.91 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.356 0.662 . . . . 0.0 112.169 179.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.1 pt -121.1 13.11 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 125.179 1.391 . . . . 0.0 112.542 169.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.4 m -63.35 -26.8 68.92 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 120.423 -1.423 . . . . 0.0 113.457 -175.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -78.9 0.42 78.38 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 124.917 1.246 . . . . 0.0 114.932 175.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -88.47 166.15 14.41 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.415 1.607 . . . . 0.0 110.78 175.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.7 p -146.5 157.63 43.77 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 128.582 2.753 . . . . 0.0 105.455 -174.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 49.1 m -80.07 129.33 34.41 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 119.48 -0.888 . . . . 0.0 109.709 169.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -137.4 136.92 21.1 Favored Pre-proline 0 CA--C 1.544 0.727 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -178.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -80.5 143.86 15.55 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.837 2.358 . . . . 0.0 113.541 -170.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.432 HD12 HG21 ' A' ' 7' ' ' VAL . 9.6 tt -54.23 -35.53 30.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 126.485 1.914 . . . . 0.0 111.582 176.347 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -59.25 -24.13 62.93 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.23 1.412 . . . . 0.0 114.296 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.4 -14.48 35.4 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 178.213 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -99.7 174.99 5.97 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.585 1.154 . . . . 0.0 113.692 -170.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -116.38 94.19 4.53 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.18 1.792 . . . . 0.0 112.003 -172.404 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.9 -36.48 49.0 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.546 -0.721 . . . . 0.0 112.516 175.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -57.53 -30.65 65.34 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.313 1.845 . . . . 0.0 114.549 -175.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -85.35 -28.76 25.0 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 178.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -81.6 94.68 6.97 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.504 0.722 . . . . 0.0 109.959 -175.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -48.02 -34.87 10.07 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.014 1.325 . . . . 0.0 112.15 178.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 40.6 t -127.12 138.34 55.13 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 C-N-CA 124.15 0.98 . . . . 0.0 111.134 173.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 76.0 t -122.25 138.39 52.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.848 0.859 . . . . 0.0 109.972 169.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 27.7 mm -126.16 130.74 72.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 C-N-CA 124.282 1.033 . . . . 0.0 109.428 -178.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.4 t -97.65 137.16 36.97 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 118.762 0.71 . . . . 0.0 110.571 169.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.6 mp -131.58 41.84 3.25 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 126.027 1.731 . . . . 0.0 109.611 177.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 62.0 m -93.76 -40.24 10.32 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.673 0.789 . . . . 0.0 113.119 -173.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 104.87 -145.14 15.89 Favored Glycine 0 CA--C 1.535 1.317 0 N-CA-C 110.117 -1.193 . . . . 0.0 110.117 -169.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 85.4 m -69.21 158.27 35.29 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 117.645 0.722 . . . . 0.0 112.17 172.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.42 1.54 74.72 Favored Glycine 0 CA--C 1.536 1.39 0 N-CA-C 116.516 1.366 . . . . 0.0 116.516 171.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 55.5 t -134.99 125.73 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 CA-C-N 119.04 1.42 . . . . 0.0 111.212 -176.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 62.1 m-80 -132.32 1.77 3.82 Favored 'General case' 0 CA--C 1.554 1.101 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 177.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 71.1 mt 42.27 66.95 3.69 Favored Pre-proline 0 CA--C 1.556 1.19 0 C-N-CA 126.347 1.859 . . . . 0.0 114.786 -177.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -50.98 -29.37 27.13 Favored 'Trans proline' 0 CA--C 1.555 1.549 0 C-N-CA 123.322 2.681 . . . . 0.0 118.965 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -75.6 -160.89 0.11 Allowed 'Trans proline' 0 CA--C 1.546 1.092 0 C-N-CA 122.726 2.284 . . . . 0.0 115.143 -176.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -57.72 -9.46 1.23 Allowed 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.618 1.567 . . . . 0.0 115.001 174.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -61.4 -14.95 31.96 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.671 1.588 . . . . 0.0 115.075 172.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.6 m -116.1 0.92 8.32 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 124.535 1.134 . . . . 0.0 113.97 173.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 43.0 p -94.01 4.6 53.67 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.435 1.094 . . . . 0.0 113.378 178.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -75.28 179.14 5.32 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.956 1.302 . . . . 0.0 111.824 177.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -64.56 -37.91 89.2 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 121.444 -0.785 . . . . 0.0 112.622 -170.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 27.0 mt -137.67 137.85 44.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 123.719 0.808 . . . . 0.0 110.457 169.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -128.49 135.45 49.46 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.167 0.987 . . . . 0.0 109.39 168.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -135.78 153.64 51.47 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.083 0.953 . . . . 0.0 111.41 174.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -123.21 116.19 22.98 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.945 0.898 . . . . 0.0 111.576 172.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 41.8 m0 -106.46 83.57 1.89 Allowed 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 126.368 1.867 . . . . 0.0 109.348 -175.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -79.27 74.94 5.84 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.147 0.979 . . . . 0.0 111.467 -174.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 84.9 mt -86.74 161.66 18.28 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.666 1.186 . . . . 0.0 109.625 172.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -69.14 160.79 30.43 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.646 0.736 . . . . 0.0 110.938 173.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.433 ' HA ' ' HD3' ' A' ' 104' ' ' PRO . 11.6 t70 -102.54 113.52 65.84 Favored Pre-proline 0 CA--C 1.547 0.864 0 CA-C-O 118.861 -0.59 . . . . 0.0 111.854 -175.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 103' ' ' ASP . 51.5 Cg_exo -73.51 -8.13 21.24 Favored 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 123.027 2.485 . . . . 0.0 116.957 -171.237 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -57.46 112.16 1.33 Allowed 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.292 0.951 . . . . 0.0 112.143 -178.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.44 14.85 80.64 Favored Glycine 0 CA--C 1.538 1.479 0 CA-C-O 119.044 -0.864 . . . . 0.0 114.556 -178.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -88.41 -95.68 0.09 Allowed 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 118.653 1.227 . . . . 0.0 110.803 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 59.4 p -160.16 164.29 33.01 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 126.445 1.898 . . . . 0.0 110.119 174.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 51.8 mt -64.85 -34.3 78.06 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.675 -0.641 . . . . 0.0 111.744 175.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -61.29 -38.6 87.36 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.328 0.651 . . . . 0.0 112.18 171.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 65.4 t -70.04 -39.27 77.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 O-C-N 121.153 -0.967 . . . . 0.0 111.591 173.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -58.48 -48.46 80.69 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.634 1.107 . . . . 0.0 111.43 171.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 63.8 mtp85 -60.18 -39.1 85.3 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.959 1.304 . . . . 0.0 112.035 177.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 62.0 m -64.05 -37.76 88.62 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.714 1.206 . . . . 0.0 112.189 176.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 53.4 t -78.95 -44.0 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 123.808 0.843 . . . . 0.0 111.402 176.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -50.81 -48.96 59.57 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 126.511 1.924 . . . . 0.0 112.404 179.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -63.26 -36.45 93.43 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 123.642 0.639 . . . . 0.0 113.315 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -75.21 -39.2 60.3 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 117.868 0.834 . . . . 0.0 112.159 177.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 94.9 t -58.28 -47.96 86.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 O-C-N 121.407 -0.808 . . . . 0.0 110.531 169.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.411 ' HA ' HG22 ' A' ' 123' ' ' VAL . 78.0 tttt -57.28 -53.91 52.78 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.581 1.152 . . . . 0.0 111.871 175.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -61.37 -35.38 77.31 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.739 1.154 . . . . 0.0 111.968 -178.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 36.9 mtt180 -70.82 -41.66 71.25 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 116.998 -1.477 . . . . 0.0 112.996 175.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.411 HG22 ' HA ' ' A' ' 120' ' ' LYS . 30.8 m -63.8 -39.74 86.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-N 121.296 1.862 . . . . 0.0 113.1 171.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -62.6 -41.83 99.21 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 120.085 1.311 . . . . 0.0 111.811 175.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -31.76 72.4 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 177.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 54.4 tp -76.13 -48.99 18.57 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.821 0.848 . . . . 0.0 112.15 179.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 10.3 pt -63.17 -29.58 47.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-N 119.501 1.046 . . . . 0.0 112.555 -176.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.45 -20.04 63.77 Favored 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 174.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -86.74 -44.79 11.51 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.804 1.242 . . . . 0.0 112.892 173.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.293 1.4 pp -101.46 -0.3 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 N-CA-C 116.637 2.088 . . . . 0.0 116.637 -169.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 63.7 p . . . . . 0 C--O 1.255 1.348 0 CA-C-N 120.101 1.319 . . . . 0.0 113.732 175.111 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.457 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 17.6 ttt . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 119.652 -0.213 . . . . 0.0 111.328 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -130.55 166.2 21.1 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 125.5 1.52 . . . . 0.0 111.612 173.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -104.4 139.52 39.23 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.746 1.218 . . . . 0.0 111.239 -177.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.6 t -125.63 141.66 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 124.476 1.11 . . . . 0.0 110.23 179.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 7.1 tpp -134.61 134.61 41.42 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.878 0.871 . . . . 0.0 110.459 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -110.16 119.59 39.74 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.525 1.13 . . . . 0.0 111.667 -174.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.7 t -96.08 138.18 22.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 126.423 1.889 . . . . 0.0 111.157 173.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.3 t -136.45 173.58 11.55 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.874 1.669 . . . . 0.0 108.481 169.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.83 -45.74 73.8 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.217 -1.552 . . . . 0.0 112.169 -174.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.271 0.2 OUTLIER -125.73 10.54 7.76 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 116.707 2.114 . . . . 0.0 116.707 177.103 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.269 9.2 t-20 46.68 32.39 1.7 Allowed 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 128.861 2.864 . . . . 0.0 115.999 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.3 p -86.04 -40.18 16.05 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.566 1.546 . . . . 0.0 112.681 175.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.2 p -138.6 175.6 9.42 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 126.964 2.106 . . . . 0.0 110.835 -170.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.2 mtm-85 55.46 -78.35 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 126.909 2.084 . . . . 0.0 113.953 -171.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.8 p -48.38 -40.31 25.26 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 126.772 2.029 . . . . 0.0 114.499 179.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -67.46 -38.93 85.19 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.519 0.728 . . . . 0.0 111.742 176.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.3 mtp -72.84 -33.55 66.23 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.747 1.219 . . . . 0.0 111.459 176.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.47 -44.45 96.36 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.907 0.883 . . . . 0.0 111.517 171.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.49 -41.13 93.65 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.476 0.71 . . . . 0.0 111.858 170.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.91 -49.88 73.57 Favored Glycine 0 N--CA 1.471 0.987 0 C-N-CA 124.269 0.937 . . . . 0.0 114.431 173.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -67.64 -44.25 78.4 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.965 1.382 . . . . 0.0 111.661 176.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.69 -39.27 88.02 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.018 0.748 . . . . 0.0 113.018 -176.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.5 pttt -67.82 -26.7 66.19 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 119.974 1.261 . . . . 0.0 113.225 178.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.9 m -84.42 -55.81 3.96 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.294 1.438 . . . . 0.0 112.533 177.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 72.0 mt -81.74 -26.56 34.43 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.314 1.446 . . . . 0.0 112.328 -174.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -99.62 9.3 60.46 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 126.43 1.967 . . . . 0.0 114.553 176.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.92 113.73 0.85 Allowed 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 119.919 1.859 . . . . 0.0 112.651 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.86 -20.81 5.17 Favored Glycine 0 CA--C 1.539 1.592 0 C-N-CA 125.212 1.387 . . . . 0.0 115.087 -177.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.457 ' O ' ' HA ' ' A' ' 1' ' ' MET . 33.4 mtpt -74.94 -37.68 61.94 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.276 1.43 . . . . 0.0 110.374 169.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.5 pp -143.81 172.17 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 125.624 1.57 . . . . 0.0 113.3 177.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -125.51 142.42 51.51 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.457 1.503 . . . . 0.0 108.033 168.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.38 154.19 29.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 N-CA-C 115.601 1.704 . . . . 0.0 115.601 -169.118 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.7 m -146.87 155.22 42.15 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.34 1.856 . . . . 0.0 109.225 176.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 77.6 p -127.47 150.32 49.71 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 120.628 -1.295 . . . . 0.0 111.657 169.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 17.2 p -153.28 -177.35 6.27 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.331 1.452 . . . . 0.0 110.532 -179.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -152.5 167.18 31.39 Favored Glycine 0 C--O 1.223 -0.537 0 O-C-N 120.518 -1.364 . . . . 0.0 112.295 170.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.499 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -64.7 -14.83 60.1 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 118.884 1.342 . . . . 0.0 112.617 173.754 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -139.54 167.76 21.35 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 127.208 2.203 . . . . 0.0 109.183 169.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.9 p -120.95 152.51 38.43 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.356 1.462 . . . . 0.0 110.555 169.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.3 p -135.03 -84.37 0.41 Allowed 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.217 1.007 . . . . 0.0 111.847 174.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -158.75 146.42 17.87 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 128.253 2.621 . . . . 0.0 109.012 175.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.406 ' CG1' HD11 ' A' ' 47' ' ' ILE . 0.5 OUTLIER -61.98 132.9 27.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 CA-C-N 119.639 1.108 . . . . 0.0 109.475 169.76 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -74.41 127.96 86.7 Favored Pre-proline 0 CA--C 1.536 0.414 0 CA-C-O 118.982 -0.533 . . . . 0.0 110.95 -173.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -72.84 -26.39 15.76 Favored 'Trans proline' 0 CA--C 1.538 0.679 0 CA-C-N 120.311 1.147 . . . . 0.0 112.37 -170.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.1 m -76.86 -27.84 55.2 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 121.364 -0.835 . . . . 0.0 111.45 175.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.19 -47.54 81.0 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 120.912 -1.118 . . . . 0.0 111.784 170.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.406 HD11 ' CG1' ' A' ' 42' ' ' VAL . 6.5 mt -56.89 -47.14 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 123.508 0.723 . . . . 0.0 110.238 175.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.52 -38.39 84.24 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 112.743 0.645 . . . . 0.0 112.743 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 8.7 mmt -77.69 -26.88 50.57 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.321 1.048 . . . . 0.0 112.15 -179.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 84.2 mmm -77.77 -29.74 51.09 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 118.918 0.781 . . . . 0.0 111.484 169.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -68.23 -23.48 64.81 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.033 -1.042 . . . . 0.0 112.888 175.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -61.33 -28.8 69.47 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 119.979 1.263 . . . . 0.0 112.933 173.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.1 p -103.95 10.02 8.94 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 C-N-CA 126.413 1.885 . . . . 0.0 111.647 178.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.14 18.7 79.79 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 124.841 1.21 . . . . 0.0 115.097 174.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 69.7 mt -103.64 132.0 50.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.989 1.316 . . . . 0.0 109.962 -177.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -98.8 124.79 43.9 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.94 0.896 . . . . 0.0 111.522 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.2 pt -125.23 25.13 3.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.135 0.974 . . . . 0.0 111.695 169.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.7 m -77.41 -29.25 52.99 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.563 1.145 . . . . 0.0 112.475 178.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -80.78 11.41 40.86 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 125.475 1.512 . . . . 0.0 115.332 178.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -134.26 153.49 51.83 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.071 1.748 . . . . 0.0 109.829 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.7 t -147.36 -176.33 5.19 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 124.134 0.974 . . . . 0.0 110.452 179.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.0 p -84.35 132.84 34.56 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 -169.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -140.08 147.09 49.2 Favored Pre-proline 0 CA--C 1.55 0.978 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 -177.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -87.49 146.4 7.2 Favored 'Trans proline' 0 CA--C 1.544 0.983 0 C-N-CA 123.634 2.889 . . . . 0.0 114.366 -170.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.9 tt -57.05 -36.1 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 127.536 2.334 . . . . 0.0 112.263 -177.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -69.73 -11.13 60.61 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.803 1.408 . . . . 0.0 114.803 -177.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -92.99 -12.31 31.02 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 170.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -99.64 174.03 6.43 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.13 1.372 . . . . 0.0 113.51 -170.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -124.49 86.27 2.54 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.342 1.457 . . . . 0.0 112.969 -169.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.33 -33.2 41.61 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -178.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -57.02 -27.37 61.56 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.291 1.436 . . . . 0.0 114.155 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -96.15 2.78 53.4 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 177.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -107.91 97.76 7.43 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.055 0.942 . . . . 0.0 108.576 176.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -51.75 -35.44 43.45 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.404 0.681 . . . . 0.0 111.787 178.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 47.4 t -124.49 138.25 54.6 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 C-N-CA 124.522 1.129 . . . . 0.0 110.648 173.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 44.8 t -121.51 137.55 54.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 123.987 0.915 . . . . 0.0 109.827 169.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 27.4 mm -122.23 131.17 73.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 C-N-CA 124.475 1.11 . . . . 0.0 109.643 -178.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.0 m -97.18 139.38 33.24 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.282 0.633 . . . . 0.0 109.842 168.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.4 mp -127.82 46.15 2.61 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 125.56 1.544 . . . . 0.0 109.118 176.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 80.2 m -118.74 127.4 53.52 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 127.132 2.173 . . . . 0.0 110.098 -177.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -64.69 81.02 0.06 OUTLIER Glycine 0 CA--C 1.537 1.407 0 C-N-CA 125.733 1.635 . . . . 0.0 115.275 179.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 4.5 t 63.36 -28.62 0.08 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 129.336 3.054 . . . . 0.0 119.006 169.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -75.8 10.53 13.2 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 124.829 1.204 . . . . 0.0 115.473 -177.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 60.2 t -138.96 136.12 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 126.571 1.948 . . . . 0.0 110.296 -169.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -136.8 -3.29 2.06 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 116.381 1.993 . . . . 0.0 116.381 -175.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.9 mt 44.36 66.62 4.76 Favored Pre-proline 0 CA--C 1.555 1.166 0 C-N-CA 125.951 1.7 . . . . 0.0 114.979 -178.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -50.82 -29.3 25.96 Favored 'Trans proline' 0 CA--C 1.554 1.513 0 C-N-CA 123.496 2.797 . . . . 0.0 119.151 178.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -76.84 -160.33 0.11 Allowed 'Trans proline' 0 CA--C 1.548 1.2 0 C-N-CA 122.662 2.241 . . . . 0.0 114.926 -176.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -54.16 -11.34 0.46 Allowed 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 126.324 1.85 . . . . 0.0 115.3 173.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 88.1 m95 -60.5 -16.69 39.48 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.681 1.592 . . . . 0.0 114.839 173.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 32.9 m -117.31 3.21 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 174.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 43.3 p -94.21 4.03 54.44 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.334 1.054 . . . . 0.0 112.931 177.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 75.5 mm-40 -75.74 177.3 6.98 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.612 1.165 . . . . 0.0 111.817 177.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -65.44 -38.74 90.77 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 121.209 -0.932 . . . . 0.0 112.798 -169.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 41.6 mt -134.34 139.38 48.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 124.196 0.998 . . . . 0.0 110.308 170.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -130.18 131.22 45.51 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.454 1.102 . . . . 0.0 109.513 168.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -133.45 153.49 51.57 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.805 1.242 . . . . 0.0 111.204 176.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -127.4 101.32 6.4 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.146 0.979 . . . . 0.0 111.241 -178.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 35.5 m0 -95.08 86.4 4.59 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.923 1.689 . . . . 0.0 111.036 -174.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -77.01 117.1 18.26 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.624 0.77 . . . . 0.0 110.584 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 65.0 mt -138.59 170.29 16.26 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.748 2.019 . . . . 0.0 111.206 -178.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -62.41 172.25 1.61 Allowed 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 122.968 1.366 . . . . 0.0 113.327 175.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -119.62 92.92 46.89 Favored Pre-proline 0 CA--C 1.542 0.637 0 C-N-CA 125.664 1.586 . . . . 0.0 110.971 -175.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -70.7 -15.13 33.57 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 123.434 2.756 . . . . 0.0 116.371 -170.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -57.32 100.15 0.05 OUTLIER 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.948 1.699 . . . . 0.0 111.738 -177.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 87.16 13.62 65.79 Favored Glycine 0 CA--C 1.54 1.622 0 N-CA-C 115.578 0.991 . . . . 0.0 115.578 -176.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -90.26 -104.38 0.1 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.944 1.297 . . . . 0.0 111.557 179.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 60.6 p -155.05 164.78 38.4 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 126.727 2.011 . . . . 0.0 110.531 179.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 53.8 mt -63.48 -36.92 85.36 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 121.689 -0.632 . . . . 0.0 111.858 176.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -60.18 -39.09 85.22 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.39 0.676 . . . . 0.0 112.096 173.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 73.2 t -71.72 -37.61 63.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 O-C-N 121.258 -0.901 . . . . 0.0 111.538 174.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -60.43 -47.74 84.79 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 119.714 1.143 . . . . 0.0 111.43 171.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -61.78 -37.73 85.43 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.387 1.075 . . . . 0.0 111.932 177.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 52.6 m -63.0 -42.25 99.8 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 124.245 1.018 . . . . 0.0 112.066 176.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 60.1 t -71.58 -46.39 63.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 123.608 0.763 . . . . 0.0 112.068 172.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -53.1 -46.52 68.73 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 126.155 1.782 . . . . 0.0 112.359 -177.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -62.04 -36.68 93.25 Favored Glycine 0 N--CA 1.475 1.272 0 C-N-CA 123.128 0.394 . . . . 0.0 113.19 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -77.58 -43.92 30.16 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 121.9 -0.765 . . . . 0.0 111.517 177.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 57.5 t -56.13 -43.3 75.56 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 CA-C-N 119.39 0.995 . . . . 0.0 111.433 171.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -58.27 -56.71 18.57 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.0 0.92 . . . . 0.0 111.328 174.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -34.21 77.67 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 118.219 -0.896 . . . . 0.0 112.211 -175.51 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -61.86 -43.47 98.78 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 119.351 0.978 . . . . 0.0 110.784 174.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 20.3 t -61.6 -48.52 88.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 CA-C-O 118.399 -0.81 . . . . 0.0 113.07 170.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -60.38 -35.63 76.19 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 120.34 1.427 . . . . 0.0 112.705 178.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.74 -28.87 62.89 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 176.521 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 58.2 tp -76.88 -46.02 26.05 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.909 0.884 . . . . 0.0 112.514 176.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 7.9 pt -63.93 -26.01 39.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 CA-C-N 119.936 1.244 . . . . 0.0 112.659 179.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.8 -27.45 68.89 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 171.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 62.2 mtpt -86.12 -37.19 19.05 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.589 1.556 . . . . 0.0 113.01 -177.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.275 1.8 pp -120.18 6.27 6.43 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 N-CA-C 117.041 2.237 . . . . 0.0 117.041 -170.062 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 42.6 t . . . . . 0 C--O 1.255 1.353 0 CA-C-N 119.922 1.237 . . . . 0.0 111.26 169.517 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.461 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 16.7 ttt . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 119.535 -0.269 . . . . 0.0 111.197 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -130.47 161.62 31.02 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 125.599 1.56 . . . . 0.0 111.88 175.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -102.84 139.42 38.44 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.92 1.288 . . . . 0.0 111.237 -176.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.9 t -123.64 140.96 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.945 1.298 . . . . 0.0 110.187 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.6 tpp -135.0 132.66 38.58 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 123.66 0.784 . . . . 0.0 110.199 178.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -104.03 135.72 45.01 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.289 1.036 . . . . 0.0 111.194 -178.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.3 t -115.5 128.86 72.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 126.613 1.965 . . . . 0.0 109.61 171.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.4 t -128.51 177.57 6.91 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.841 1.257 . . . . 0.0 109.695 169.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.71 -48.09 41.73 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.43 -1.419 . . . . 0.0 112.784 -172.339 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.309 0.2 OUTLIER -120.1 11.86 11.76 Favored 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 115.929 1.825 . . . . 0.0 115.929 175.302 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 53.29 36.89 23.93 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 126.847 2.059 . . . . 0.0 114.683 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.0 p -93.83 -45.23 7.74 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 -172.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.2 p -130.74 -71.9 0.57 Allowed 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 114.536 1.309 . . . . 0.0 114.536 -169.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 96.3 mtm-85 -58.03 -48.06 81.2 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -169.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.0 p -66.37 -34.8 78.77 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.454 0.701 . . . . 0.0 112.315 176.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -71.57 -39.66 70.45 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.096 0.958 . . . . 0.0 111.427 -179.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 54.9 mtp -74.18 -31.93 62.87 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.624 1.569 . . . . 0.0 111.556 175.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.89 -42.53 97.44 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.689 0.796 . . . . 0.0 111.713 172.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -61.56 -39.28 90.54 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 118.859 -0.591 . . . . 0.0 110.832 169.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.78 -49.01 59.92 Favored Glycine 0 N--CA 1.474 1.221 0 C-N-CA 124.685 1.136 . . . . 0.0 114.515 173.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -72.93 -43.45 62.37 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 120.856 -1.379 . . . . 0.0 112.269 175.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.3 -36.82 82.31 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -176.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.6 ptmm? -65.73 -28.01 68.73 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-N 119.773 1.169 . . . . 0.0 113.027 177.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.9 m -89.47 -54.13 4.22 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.281 1.432 . . . . 0.0 112.376 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.7 mt -83.94 -24.67 30.59 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.254 1.421 . . . . 0.0 112.245 -173.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -99.2 5.46 59.17 Favored Glycine 0 CA--C 1.526 0.777 0 C-N-CA 126.237 1.875 . . . . 0.0 114.532 176.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.81 113.07 0.76 Allowed 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 120.009 1.905 . . . . 0.0 112.716 -177.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.66 -21.89 7.09 Favored Glycine 0 CA--C 1.538 1.513 0 C-N-CA 124.898 1.237 . . . . 0.0 114.774 -178.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 1' ' ' MET . 30.0 mtpt -75.95 -38.69 57.31 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.945 1.298 . . . . 0.0 110.645 169.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.4 pp -142.75 170.93 10.62 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 125.436 1.494 . . . . 0.0 112.707 -179.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -125.99 146.5 49.85 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.096 1.358 . . . . 0.0 108.507 168.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.81 149.78 25.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 N-CA-C 115.838 1.792 . . . . 0.0 115.838 -169.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.9 m -138.95 149.42 44.74 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.739 1.616 . . . . 0.0 109.757 174.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.3 t -118.63 137.38 53.32 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.61 1.564 . . . . 0.0 111.596 174.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 14.3 p -150.28 -177.81 6.15 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.308 1.443 . . . . 0.0 112.231 176.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -151.56 167.95 30.95 Favored Glycine 0 N--CA 1.467 0.766 0 O-C-N 120.403 -1.436 . . . . 0.0 112.436 169.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.498 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -63.99 -17.45 63.32 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 118.487 1.143 . . . . 0.0 112.318 172.137 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -140.07 162.17 35.87 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.963 2.105 . . . . 0.0 108.222 168.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.9 p -144.68 138.59 27.41 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.494 1.118 . . . . 0.0 111.726 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.1 t -133.93 -71.4 0.5 Allowed 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 173.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.36 159.35 38.68 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.904 1.282 . . . . 0.0 112.034 173.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.9 t -65.93 136.79 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 169.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 34.7 t-80 -65.1 122.6 80.58 Favored Pre-proline 0 CA--C 1.531 0.239 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 173.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -69.06 -23.57 33.82 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 CA-C-N 120.711 1.29 . . . . 0.0 112.17 -169.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.5 m -68.97 -25.69 64.66 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.19 -0.943 . . . . 0.0 112.29 172.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.57 -40.47 96.96 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 120.482 -1.386 . . . . 0.0 111.851 173.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -57.12 -46.06 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 173.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.25 -39.54 89.58 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.757 -0.59 . . . . 0.0 112.516 -178.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 7.6 mmt -74.92 -29.35 60.94 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.805 0.842 . . . . 0.0 112.17 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 81.1 mmm -76.22 -32.37 58.9 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 118.881 0.764 . . . . 0.0 111.335 169.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -67.83 -21.15 65.22 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 175.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -62.92 -25.65 68.43 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 120.099 1.318 . . . . 0.0 112.007 169.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.8 t -89.4 -5.8 10.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 126.11 1.764 . . . . 0.0 111.574 174.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.9 17.44 76.94 Favored Glycine 0 CA--C 1.542 1.73 0 O-C-N 120.988 -1.07 . . . . 0.0 113.41 -169.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.5 mt -95.71 126.95 48.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 124.888 1.275 . . . . 0.0 109.545 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -96.89 124.29 40.83 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.148 0.579 . . . . 0.0 112.006 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 9.5 pt -123.11 9.52 5.32 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 C-N-CA 125.25 1.42 . . . . 0.0 112.832 169.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 93.7 p -66.18 -19.26 65.78 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 120.461 -1.4 . . . . 0.0 114.431 -172.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.73 -1.07 76.56 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 124.828 1.204 . . . . 0.0 115.189 172.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -80.08 154.19 28.26 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.609 1.705 . . . . 0.0 111.87 178.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 23.9 p -145.32 142.94 29.87 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 128.232 2.613 . . . . 0.0 105.697 169.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 38.4 m -79.44 147.42 32.31 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 121.291 -0.881 . . . . 0.0 113.127 -169.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -145.83 150.47 42.96 Favored Pre-proline 0 N--CA 1.479 0.977 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -175.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -91.66 148.63 3.39 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 123.406 2.737 . . . . 0.0 113.42 -170.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.1 tt -54.2 -35.31 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 126.676 1.99 . . . . 0.0 111.975 177.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -60.34 -24.5 65.09 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.079 1.352 . . . . 0.0 114.129 -178.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -91.2 -12.77 34.34 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 178.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -96.74 169.55 9.79 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.809 1.244 . . . . 0.0 114.048 -169.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -118.47 86.34 2.52 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.205 1.402 . . . . 0.0 112.703 -169.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.27 -34.24 22.63 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -178.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -60.64 -23.73 64.99 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.165 1.386 . . . . 0.0 114.471 -176.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -99.15 3.24 46.47 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.937 0.895 . . . . 0.0 113.189 178.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -106.09 99.28 8.88 Favored 'General case' 0 N--CA 1.464 0.233 0 O-C-N 121.221 -0.924 . . . . 0.0 108.582 176.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -53.03 -35.63 59.67 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.233 0.613 . . . . 0.0 111.694 177.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 43.3 t -125.33 138.26 54.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 C-N-CA 124.345 1.058 . . . . 0.0 110.979 175.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 52.1 t -121.67 139.69 47.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.298 1.039 . . . . 0.0 110.301 170.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 23.9 mm -126.93 130.35 71.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 C-N-CA 124.383 1.073 . . . . 0.0 110.582 -174.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 37.8 t -100.45 136.99 39.47 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.714 0.806 . . . . 0.0 112.294 169.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.2 mp -135.04 45.31 2.53 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.098 1.759 . . . . 0.0 109.607 177.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 72.8 m -89.72 -18.88 25.54 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 116.405 2.002 . . . . 0.0 116.405 -168.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 80.57 47.15 6.95 Favored Glycine 0 CA--C 1.536 1.354 0 CA-C-N 118.974 0.806 . . . . 0.0 112.721 -172.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 63.4 m 61.36 177.79 0.11 Allowed 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 126.878 2.071 . . . . 0.0 114.133 -173.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 76.15 9.2 85.58 Favored Glycine 0 CA--C 1.539 1.587 0 N-CA-C 115.634 1.013 . . . . 0.0 115.634 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 97.0 t -135.97 128.92 46.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 126.021 1.728 . . . . 0.0 110.025 -177.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -130.28 -5.73 4.31 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 115.264 1.579 . . . . 0.0 115.264 -174.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 61.5 mt 43.06 66.15 4.74 Favored Pre-proline 0 N--CA 1.482 1.162 0 C-N-CA 126.217 1.807 . . . . 0.0 114.983 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -50.66 -28.75 23.34 Favored 'Trans proline' 0 CA--C 1.556 1.577 0 C-N-CA 123.634 2.889 . . . . 0.0 119.245 178.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -76.61 -160.22 0.11 Allowed 'Trans proline' 0 CA--C 1.548 1.201 0 C-N-CA 122.72 2.28 . . . . 0.0 114.627 -176.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -58.35 -9.55 1.61 Allowed 'General case' 0 N--CA 1.478 0.963 0 O-C-N 120.253 -1.529 . . . . 0.0 114.857 175.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -58.72 -16.4 16.39 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.993 1.717 . . . . 0.0 114.878 172.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.9 m -117.95 2.58 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 124.425 1.09 . . . . 0.0 113.934 173.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 35.5 p -95.34 3.55 54.31 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.397 1.079 . . . . 0.0 113.193 177.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 75.5 mm-40 -73.94 177.76 5.39 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.53 1.132 . . . . 0.0 111.863 175.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -64.21 -38.75 92.18 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.39 -0.819 . . . . 0.0 112.719 -170.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 20.2 mt -137.2 136.57 47.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 123.729 0.811 . . . . 0.0 110.475 171.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -123.38 131.15 53.56 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.111 0.964 . . . . 0.0 108.489 168.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -128.47 153.0 47.6 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.72 0.808 . . . . 0.0 111.266 174.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -130.58 122.53 27.69 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.332 0.653 . . . . 0.0 110.739 169.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 12.8 m95 -119.68 102.95 8.97 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.123 0.969 . . . . 0.0 108.99 -178.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 -91.21 115.09 27.75 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.495 0.718 . . . . 0.0 109.922 -170.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 81.7 mt -126.8 173.37 9.6 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.94 1.696 . . . . 0.0 112.241 -172.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 23.8 mp0 -64.87 166.69 8.7 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.051 1.74 . . . . 0.0 111.654 175.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -117.45 98.79 52.17 Favored Pre-proline 0 CA--C 1.543 0.684 0 C-N-CA 124.837 1.255 . . . . 0.0 111.23 -178.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -72.85 -14.27 26.7 Favored 'Trans proline' 0 C--N 1.356 0.967 0 C-N-CA 123.508 2.805 . . . . 0.0 116.247 -171.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -57.72 106.45 0.35 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.868 1.267 . . . . 0.0 111.807 -176.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 81.9 14.88 76.53 Favored Glycine 0 CA--C 1.54 1.595 0 C-N-CA 124.361 0.981 . . . . 0.0 114.95 -177.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -92.03 -101.75 0.12 Allowed 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.661 1.184 . . . . 0.0 111.354 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 66.8 p -157.68 164.52 37.08 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 126.264 1.825 . . . . 0.0 110.303 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 77.3 mt -62.72 -37.39 86.36 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.615 -0.678 . . . . 0.0 111.937 176.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -58.55 -38.06 77.02 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 121.621 -0.674 . . . . 0.0 112.512 172.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 77.8 t -73.19 -36.01 48.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 O-C-N 121.119 -0.988 . . . . 0.0 112.08 174.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -61.4 -46.03 91.84 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.574 1.079 . . . . 0.0 111.302 170.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 -62.37 -37.73 86.86 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.469 1.108 . . . . 0.0 111.869 176.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 53.3 m -61.84 -43.05 99.63 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.289 1.036 . . . . 0.0 111.922 174.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.14 -45.97 74.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 O-C-N 121.122 -0.986 . . . . 0.0 111.629 173.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 57.5 ttp180 -50.98 -49.08 60.96 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.746 1.618 . . . . 0.0 112.083 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -61.49 -37.33 93.96 Favored Glycine 0 CA--C 1.532 1.153 0 C-N-CA 123.652 0.644 . . . . 0.0 113.076 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -75.51 -48.54 22.11 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 117.724 0.762 . . . . 0.0 111.342 177.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 79.7 t -53.61 -42.84 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 O-C-N 120.876 -1.14 . . . . 0.0 111.122 174.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -57.54 -55.69 31.62 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.156 0.982 . . . . 0.0 111.489 172.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -65.74 -35.28 80.28 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -174.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -64.77 -43.66 92.54 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.51 1.05 . . . . 0.0 110.85 175.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 13.8 t -61.41 -48.99 86.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 CA-C-O 117.814 -1.089 . . . . 0.0 113.1 171.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -59.75 -35.91 75.54 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 120.835 1.652 . . . . 0.0 112.458 179.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.34 -25.46 60.62 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 178.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 43.2 tp -83.37 -47.45 11.43 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.026 1.33 . . . . 0.0 111.893 178.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 7.9 pt -64.07 -28.82 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 CA-C-N 119.23 0.923 . . . . 0.0 112.652 -176.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.94 -20.15 64.2 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 175.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -85.22 -36.94 20.65 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.561 1.145 . . . . 0.0 113.024 174.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.2 pt -108.4 1.71 9.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 N-CA-C 116.286 1.958 . . . . 0.0 116.286 -169.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 54.0 p . . . . . 0 C--O 1.256 1.42 0 C-N-CA 124.339 1.056 . . . . 0.0 113.413 173.596 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.442 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 55.2 ttm . . . . . 0 N--CA 1.488 1.448 0 N-CA-C 111.57 0.211 . . . . 0.0 111.57 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -130.02 164.14 24.96 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 126.359 1.864 . . . . 0.0 110.62 169.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.407 ' HB2' ' HE2' ' A' ' 3' ' ' LYS . 1.6 mppt? -107.78 141.01 39.99 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.693 1.197 . . . . 0.0 111.636 -174.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.6 t -121.9 139.68 48.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 124.275 1.03 . . . . 0.0 109.964 178.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.8 tpp -132.27 133.85 44.58 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 123.999 0.92 . . . . 0.0 110.307 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -108.24 135.13 50.07 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.521 1.128 . . . . 0.0 111.493 -176.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.4 t -115.42 120.68 65.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 126.812 2.045 . . . . 0.0 110.01 174.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 51.1 t -118.85 171.82 7.96 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.94 1.296 . . . . 0.0 110.516 169.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.3 ttpt -67.58 -45.92 74.16 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.499 -1.376 . . . . 0.0 113.424 -171.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.301 0.2 OUTLIER -123.4 14.4 9.59 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 115.432 1.642 . . . . 0.0 115.432 174.147 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . 0.263 6.3 t-20 47.38 34.44 3.28 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 128.531 2.732 . . . . 0.0 116.171 -177.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.2 p -95.31 -42.55 8.47 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 125.453 1.501 . . . . 0.0 112.767 177.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.0 p -121.09 174.59 6.56 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.157 1.783 . . . . 0.0 111.964 -173.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 93.2 mtm-85 55.84 -75.82 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 127.456 2.302 . . . . 0.0 114.742 176.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.8 p -44.77 -43.3 8.47 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 126.718 2.007 . . . . 0.0 113.776 174.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -70.68 -34.47 72.03 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.868 0.867 . . . . 0.0 112.233 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 38.9 mtt -70.99 -34.96 71.89 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.239 1.016 . . . . 0.0 111.899 169.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.37 -42.14 98.84 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.358 0.663 . . . . 0.0 110.962 178.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -62.05 -40.38 95.57 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 118.91 -0.567 . . . . 0.0 110.991 169.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.16 -49.58 66.94 Favored Glycine 0 N--CA 1.473 1.14 0 C-N-CA 124.798 1.189 . . . . 0.0 114.838 174.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -70.74 -42.95 69.82 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 120.939 -1.33 . . . . 0.0 111.65 176.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.36 -39.51 85.7 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -178.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.3 ptmm? -64.71 -27.41 68.89 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-N 120.0 1.273 . . . . 0.0 113.17 177.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.3 m -87.08 -54.4 4.34 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.247 1.419 . . . . 0.0 112.66 178.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 69.0 mt -84.71 -22.97 29.55 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.226 1.41 . . . . 0.0 112.507 -171.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -102.02 9.19 56.38 Favored Glycine 0 CA--C 1.529 0.961 0 C-N-CA 126.28 1.895 . . . . 0.0 114.469 174.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.76 110.63 0.49 Allowed 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 119.554 1.677 . . . . 0.0 112.553 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.38 -13.5 60.0 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 124.341 0.972 . . . . 0.0 114.062 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 1' ' ' MET . 28.0 mtpt -85.99 -42.15 14.26 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.473 1.509 . . . . 0.0 110.934 169.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.3 pp -139.5 174.45 9.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.624 1.17 . . . . 0.0 113.128 -172.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -132.3 143.67 50.05 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.895 1.278 . . . . 0.0 108.679 168.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.22 148.58 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 -169.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.5 m -137.0 146.28 45.13 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.317 1.447 . . . . 0.0 110.112 175.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.7 t -116.09 136.77 52.72 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.629 1.572 . . . . 0.0 111.619 174.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 13.5 p -151.0 -177.51 6.06 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.685 1.594 . . . . 0.0 112.092 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -153.98 169.9 32.55 Favored Glycine 0 C--O 1.222 -0.613 0 O-C-N 120.174 -1.579 . . . . 0.0 112.331 171.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.534 HD23 ' H ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -63.84 -14.73 55.49 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 119.023 1.412 . . . . 0.0 112.975 174.753 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -154.44 165.6 35.91 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 127.419 2.288 . . . . 0.0 109.148 168.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.0 p -116.04 158.54 22.97 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.436 1.494 . . . . 0.0 112.569 -177.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.1 t -142.12 -82.08 0.21 Allowed 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.896 1.279 . . . . 0.0 110.688 170.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.72 158.93 18.21 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 127.959 2.504 . . . . 0.0 109.184 172.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.7 t -61.19 136.39 24.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 CA-C-N 120.483 1.492 . . . . 0.0 108.675 169.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -65.14 123.9 85.34 Favored Pre-proline 0 N--CA 1.466 0.348 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 175.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -69.95 -23.57 29.77 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 CA-C-N 120.271 1.133 . . . . 0.0 112.342 -168.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 47.7 m -70.69 -24.78 62.73 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.139 -0.975 . . . . 0.0 111.814 173.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.47 -39.85 95.55 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 120.716 -1.24 . . . . 0.0 111.808 174.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -55.79 -47.56 79.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 173.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.7 -42.86 97.93 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 120.841 0.353 . . . . 0.0 111.834 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 24.5 mmt -69.85 -24.4 63.43 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.423 1.089 . . . . 0.0 113.168 -179.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 81.9 mmm -81.1 -34.0 32.91 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.585 0.754 . . . . 0.0 111.6 169.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -67.8 -26.84 66.29 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.035 -1.041 . . . . 0.0 112.929 175.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -57.65 -30.18 65.2 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 119.473 1.033 . . . . 0.0 112.949 171.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . 0.255 6.2 p -107.22 13.56 8.3 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.881 0 C-N-CA 126.82 2.048 . . . . 0.0 111.259 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.5 20.86 79.45 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 125.391 1.472 . . . . 0.0 115.246 171.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 71.9 mt -110.78 140.69 28.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 125.573 1.549 . . . . 0.0 110.168 -177.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -107.24 123.91 48.98 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.632 0.773 . . . . 0.0 112.384 178.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.1 pt -120.94 10.15 6.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 125.142 1.377 . . . . 0.0 112.789 169.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.7 t -65.38 -26.56 68.06 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 120.617 -1.302 . . . . 0.0 112.869 -174.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -74.53 -1.04 60.28 Favored Glycine 0 CA--C 1.539 1.577 0 CA-C-O 118.613 -1.104 . . . . 0.0 115.311 172.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -89.92 155.46 19.11 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 119.643 1.721 . . . . 0.0 111.329 177.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 24.6 p -134.53 164.1 28.22 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 127.645 2.378 . . . . 0.0 108.231 176.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.5 p -93.23 140.33 29.65 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 176.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -143.4 147.49 40.22 Favored Pre-proline 0 CA--C 1.552 1.034 0 C-N-CA 124.48 1.112 . . . . 0.0 113.964 -176.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -84.96 147.59 10.53 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 124.005 3.137 . . . . 0.0 113.891 -174.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.9 tt -57.01 -35.22 46.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 127.422 2.289 . . . . 0.0 112.082 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -63.1 -22.47 66.88 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -177.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.24 -13.57 43.44 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 176.359 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -98.72 170.13 9.0 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.114 1.366 . . . . 0.0 113.629 -169.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -119.86 85.66 2.42 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.193 1.397 . . . . 0.0 112.96 -169.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.27 -35.72 18.65 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -58.99 -25.49 63.68 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.275 1.43 . . . . 0.0 114.101 -176.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -86.63 -30.44 21.77 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 176.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -79.97 99.51 7.66 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.525 -0.734 . . . . 0.0 109.396 -173.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -51.9 -33.04 35.17 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.776 0.83 . . . . 0.0 111.695 178.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 42.6 t -128.0 136.46 60.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 C-N-CA 124.333 1.053 . . . . 0.0 111.015 174.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.1 t -120.92 138.66 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.2 1.0 . . . . 0.0 110.119 170.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 27.1 mm -125.79 131.5 71.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 124.801 1.241 . . . . 0.0 108.922 -178.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 76.9 p -104.95 145.68 30.08 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.976 0.807 . . . . 0.0 110.707 169.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 mp -139.81 41.89 1.99 Allowed 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.554 1.542 . . . . 0.0 109.783 -172.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 46.6 m -113.25 -15.47 12.7 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 116.179 1.918 . . . . 0.0 116.179 -169.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 82.5 -176.78 53.59 Favored Glycine 0 CA--C 1.54 1.616 0 CA-C-N 119.116 0.871 . . . . 0.0 112.98 -169.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 67.4 m -67.5 -15.53 63.72 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 115.925 1.824 . . . . 0.0 115.925 -170.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -67.42 -1.72 16.71 Favored Glycine 0 CA--C 1.539 1.534 0 CA-C-N 118.927 0.785 . . . . 0.0 114.887 178.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 90.6 t -135.67 146.16 30.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 125.474 1.51 . . . . 0.0 113.454 -169.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -146.57 154.5 41.58 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.235 1.814 . . . . 0.0 108.067 168.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 73.0 mt -116.89 67.58 4.13 Favored Pre-proline 0 CA--C 1.55 0.968 0 C-N-CA 124.092 0.957 . . . . 0.0 111.044 -177.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -59.77 -16.05 35.37 Favored 'Trans proline' 0 CA--C 1.556 1.608 0 N-CA-C 118.652 2.52 . . . . 0.0 118.652 -174.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -74.03 -160.39 0.1 OUTLIER 'Trans proline' 0 CA--C 1.548 1.178 0 CA-C-N 123.443 2.265 . . . . 0.0 114.016 175.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -59.22 -9.58 2.27 Favored 'General case' 0 CA--C 1.549 0.932 0 O-C-N 120.193 -1.567 . . . . 0.0 114.689 175.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 92.5 m95 -58.35 -18.19 25.72 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.638 1.575 . . . . 0.0 114.958 172.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 35.2 m -115.78 1.25 8.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 124.453 1.101 . . . . 0.0 113.804 174.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 41.8 p -94.11 2.9 55.93 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.17 0.988 . . . . 0.0 113.111 178.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -73.62 176.25 6.37 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.82 1.248 . . . . 0.0 111.918 177.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -65.19 -37.31 86.93 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 121.317 -0.864 . . . . 0.0 112.642 -169.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 32.0 mt -135.85 137.25 49.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 123.901 0.881 . . . . 0.0 110.076 169.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -126.83 135.8 51.5 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.557 1.143 . . . . 0.0 109.93 169.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -136.78 153.38 50.84 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.375 1.07 . . . . 0.0 112.025 176.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -124.89 98.9 5.9 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.757 1.223 . . . . 0.0 110.191 178.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 39.4 m0 -90.77 80.02 5.93 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 125.537 1.535 . . . . 0.0 110.563 -177.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -71.73 116.29 11.93 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.659 178.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 92.7 mt -137.82 167.84 20.92 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.658 1.983 . . . . 0.0 109.762 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -74.7 178.98 5.04 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 122.026 0.917 . . . . 0.0 112.913 178.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -118.63 99.03 51.45 Favored Pre-proline 0 CA--C 1.544 0.716 0 C-N-CA 124.216 1.006 . . . . 0.0 112.495 -169.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -70.01 -11.91 31.42 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 124.145 3.23 . . . . 0.0 116.661 -173.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -55.32 108.25 0.4 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.822 1.249 . . . . 0.0 111.635 -179.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 77.84 14.58 82.21 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 124.321 0.962 . . . . 0.0 114.937 -178.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -90.35 -96.89 0.11 Allowed 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 118.796 1.298 . . . . 0.0 111.597 -179.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 60.0 p -158.22 162.93 37.89 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 126.475 1.91 . . . . 0.0 110.183 176.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 54.2 mt -65.1 -33.8 76.89 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.653 -0.654 . . . . 0.0 112.039 177.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -61.83 -39.11 90.67 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.096 0.558 . . . . 0.0 112.28 171.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 64.4 t -69.76 -37.69 74.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 O-C-N 120.74 -1.225 . . . . 0.0 111.335 174.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -58.9 -50.45 73.96 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.021 0.828 . . . . 0.0 111.431 170.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 23.3 mtp85 -55.08 -42.14 72.44 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.155 1.382 . . . . 0.0 112.37 174.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 89.1 m -63.16 -38.26 90.46 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.65 1.18 . . . . 0.0 112.292 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 58.0 t -77.73 -46.05 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 O-C-N 121.536 -0.728 . . . . 0.0 111.505 174.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 48.2 ttp180 -52.23 -47.89 65.45 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 126.577 1.951 . . . . 0.0 112.328 -178.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -61.53 -34.79 89.7 Favored Glycine 0 N--CA 1.476 1.341 0 C-N-CA 123.677 0.656 . . . . 0.0 113.383 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -77.34 -43.74 31.93 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.662 -0.905 . . . . 0.0 111.675 177.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 59.9 t -56.19 -43.95 77.79 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 O-C-N 121.2 -0.938 . . . . 0.0 111.289 170.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 38.8 tttm -56.81 -55.02 39.68 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.51 1.124 . . . . 0.0 111.732 173.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -65.94 -35.1 79.68 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 118.601 -0.714 . . . . 0.0 112.554 -174.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 28.9 mmm180 -63.76 -43.06 97.55 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.397 0.999 . . . . 0.0 111.083 173.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 19.1 t -59.81 -51.28 74.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 CA-C-N 119.567 1.076 . . . . 0.0 113.342 171.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -59.18 -35.64 73.93 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 120.613 1.551 . . . . 0.0 112.658 179.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.27 -29.89 63.05 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 177.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 48.0 tp -76.58 -50.45 13.85 Favored 'General case' 0 CA--C 1.524 -0.056 0 C-N-CA 124.048 0.939 . . . . 0.0 111.555 178.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 6.5 pt -61.79 -33.17 56.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 CA-C-N 119.366 0.985 . . . . 0.0 111.819 -174.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.47 -21.21 66.61 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 175.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -85.33 -41.05 15.85 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.656 1.183 . . . . 0.0 112.887 174.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.253 1.9 pp -106.05 -0.66 9.99 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 -169.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 39.8 m . . . . . 0 C--O 1.254 1.294 0 C-N-CA 124.23 1.012 . . . . 0.0 112.386 174.382 . . . . . . . . 0 0 . 1 stop_ save_