data_1rkl_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 1rkl _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.502 ' HA ' HG21 ' A' ' 13' ' ' THR 0.346 0.7 OUTLIER . . . . . 0 N--CA 1.47 0.532 0 CA-C-O 113.469 -3.158 . . . . 0.0 115.799 . . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.48 -4.16 25.09 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 119.456 3.132 . . . . 0.0 119.456 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.539 0.3 OUTLIER -93.15 -57.12 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 1 CA-C-O 109.184 -5.198 . . . . 0.0 114.773 149.751 . . . . . . . . 4 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.502 HG21 ' HA ' ' A' ' 10' ' ' LEU 0.589 0.4 OUTLIER -50.18 -60.66 2.75 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 130.136 3.374 . . . . 0.0 119.714 -176.058 . . . . . . . . 4 4 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.418 0.0 OUTLIER -49.79 -28.12 5.88 Favored 'General case' 0 N--CA 1.475 0.803 2 C-N-CA 139.608 7.163 . . . . 0.0 122.79 155.317 . . . . . . . . 4 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -103.56 -32.08 4.65 Favored Glycine 0 CA--C 1.523 0.537 1 CA-C-O 112.925 -4.264 . . . . 0.0 116.695 -159.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.495 ' H ' HD11 ' A' ' 16' ' ' ILE 0.554 0.1 OUTLIER -59.71 -27.79 38.78 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 CA-C-O 114.18 -2.819 . . . . 0.0 117.758 144.76 . . . . . . . . 4 4 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.323 0.0 OUTLIER -79.95 -36.05 16.63 Favored 'Isoleucine or valine' 0 C--N 1.359 1.013 0 C-N-CA 131.122 3.769 . . . . 0.0 114.851 169.135 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -36.19 77.6 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-O 112.527 -3.606 . . . . 0.0 115.098 163.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 10.0 mtt -68.89 -26.11 64.95 Favored 'General case' 0 C--N 1.346 0.418 0 CA-C-O 113.749 -3.024 . . . . 0.0 117.828 171.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.561 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 3.3 p -79.92 -32.66 40.16 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 113.435 -3.174 . . . . 0.0 117.616 165.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.338 5.4 mt -76.43 -29.45 57.0 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 111.724 -3.989 . . . . 0.0 116.769 167.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . 0.512 1.8 tp -70.33 -44.79 77.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 130.987 3.715 . . . . 0.0 118.679 171.024 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.263 87.5 t -75.53 -18.25 15.78 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 1 C-N-CA 134.011 4.925 . . . . 0.0 110.613 172.513 . . . . . . . . 3 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.561 ' HB ' ' O ' ' A' ' 20' ' ' THR 0.716 1.1 mp -87.56 -39.75 13.21 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 N-CA-C 119.638 3.199 . . . . 0.0 119.638 167.02 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.46 3.2 m-30 -59.52 -25.4 64.45 Favored 'General case' 0 N--CA 1.476 0.847 1 C-N-CA 134.499 5.119 . . . . 0.0 117.446 161.802 . . . . . . . . 3 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -78.73 -18.07 54.85 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 129.439 3.096 . . . . 0.0 118.89 164.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.88 -16.47 22.86 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.876 2.47 . . . . 0.0 117.08 170.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.473 HG11 ' O ' ' A' ' 24' ' ' ILE 0.418 1.0 OUTLIER . . . . . 0 CA--C 1.542 0.636 0 C-N-CA 130.893 3.677 . . . . 0.0 116.363 178.605 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.585 ' HA ' HG21 ' A' ' 13' ' ' THR 0.322 0.6 OUTLIER . . . . . 0 CA--C 1.537 0.481 0 CA-C-O 113.119 -3.324 . . . . 0.0 115.571 . . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.47 -0.12 0.83 Allowed 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 121.367 3.84 . . . . 0.0 121.367 -177.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.363 1.5 mp -112.72 -46.45 5.42 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.801 1 C-N-CA 133.094 4.558 . . . . 0.0 109.507 172.276 . . . . . . . . 3 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.585 HG21 ' HA ' ' A' ' 10' ' ' LEU 0.527 0.3 OUTLIER -61.12 -62.69 1.66 Allowed 'General case' 0 N--CA 1.477 0.879 1 C-N-CA 132.567 4.347 . . . . 0.0 117.345 178.411 . . . . . . . . 5 4 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.403 0.0 OUTLIER -47.35 -31.31 3.85 Favored 'General case' 0 N--CA 1.47 0.56 1 C-N-CA 139.042 6.937 . . . . 0.0 121.195 151.111 . . . . . . . . 4 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -91.89 -30.67 10.06 Favored Glycine 0 CA--C 1.522 0.498 0 CA-C-O 114.272 -3.516 . . . . 0.0 118.769 -168.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . 0.606 1.0 OUTLIER -61.24 -31.54 50.5 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 CA-C-O 113.223 -3.275 . . . . 0.0 117.929 150.925 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.283 0.0 OUTLIER -81.35 -35.86 14.36 Favored 'Isoleucine or valine' 0 C--N 1.357 0.909 1 C-N-CA 132.313 4.245 . . . . 0.0 114.585 173.035 . . . . . . . . 4 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 4.3 mtp -71.82 -30.01 65.04 Favored 'General case' 0 C--N 1.356 0.879 0 CA-C-O 112.393 -3.67 . . . . 0.0 118.061 159.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 11.9 tpt -71.19 -30.41 66.38 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-O 112.973 -3.394 . . . . 0.0 114.592 170.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.633 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 10.1 p -81.64 -29.99 32.96 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 113.528 -3.13 . . . . 0.0 116.196 176.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.321 10.2 mt -74.5 -30.45 61.82 Favored 'General case' 0 N--CA 1.473 0.707 1 CA-C-O 111.162 -4.256 . . . . 0.0 117.715 159.35 . . . . . . . . 3 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . 0.517 2.4 tp -72.93 -44.54 57.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 129.869 3.268 . . . . 0.0 118.225 173.034 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.4 t -76.0 -19.7 15.43 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.688 1 C-N-CA 134.655 5.182 . . . . 0.0 110.075 172.397 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.633 ' HB ' ' O ' ' A' ' 20' ' ' THR 0.726 1.1 mp -84.5 -36.91 12.2 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 N-CA-C 120.812 3.634 . . . . 0.0 120.812 162.702 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.548 2.8 m-85 -59.58 -31.73 69.71 Favored 'General case' 0 N--CA 1.476 0.858 1 C-N-CA 133.201 4.6 . . . . 0.0 116.452 163.722 . . . . . . . . 3 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . 0.255 71.3 t60 -70.95 -15.9 62.62 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 121.006 3.706 . . . . 0.0 121.006 160.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.78 -17.14 17.83 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 128.18 2.592 . . . . 0.0 116.107 171.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.531 HG11 ' O ' ' A' ' 24' ' ' ILE 0.482 0.7 OUTLIER . . . . . 0 CA--C 1.542 0.649 0 C-N-CA 130.945 3.698 . . . . 0.0 115.357 176.026 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.591 ' HA ' HG21 ' A' ' 13' ' ' THR 0.316 0.6 OUTLIER . . . . . 0 N--CA 1.467 0.387 0 CA-C-O 113.781 -3.009 . . . . 0.0 115.562 . . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.53 -6.01 33.13 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 120.299 3.444 . . . . 0.0 120.299 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.504 0.1 OUTLIER -87.17 -62.01 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.815 1 CA-C-O 109.34 -5.124 . . . . 0.0 115.751 146.656 . . . . . . . . 4 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.591 HG21 ' HA ' ' A' ' 10' ' ' LEU 0.549 0.4 OUTLIER -44.91 -60.4 2.08 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 124.617 3.371 . . . . 0.0 120.007 -176.188 . . . . . . . . 4 4 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.407 0.0 OUTLIER -52.77 -28.02 20.53 Favored 'General case' 0 N--CA 1.471 0.604 2 C-N-CA 140.994 7.718 . . . . 0.0 122.93 157.696 . . . . . . . . 4 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -103.3 -24.55 7.86 Favored Glycine 0 CA--C 1.525 0.679 0 C-N-CA 129.801 3.572 . . . . 0.0 119.007 -166.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.513 ' H ' HD11 ' A' ' 16' ' ' ILE 0.533 0.1 OUTLIER -62.2 -32.51 54.94 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 N-CA-C 117.304 2.335 . . . . 0.0 117.304 144.142 . . . . . . . . 4 4 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.339 0.1 OUTLIER -74.05 -33.74 36.71 Favored 'Isoleucine or valine' 0 C--N 1.356 0.868 0 C-N-CA 130.78 3.632 . . . . 0.0 115.496 163.05 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.8 ttt -71.76 -36.09 70.28 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-O 111.917 -3.896 . . . . 0.0 115.297 165.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -65.95 -25.88 67.32 Favored 'General case' 0 C--N 1.344 0.365 0 CA-C-O 111.828 -3.939 . . . . 0.0 115.752 172.111 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.594 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 1.9 p -83.95 -33.86 24.56 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 113.669 -3.062 . . . . 0.0 116.476 173.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.0 mp -79.19 -27.14 42.58 Favored 'General case' 0 CA--C 1.55 0.974 1 C-N-CA 132.0 4.12 . . . . 0.0 115.762 169.104 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . 0.551 1.9 tp -70.25 -49.08 57.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 1 C-N-CA 132.075 4.15 . . . . 0.0 118.031 167.797 . . . . . . . . 3 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.26 99.9 t -73.56 -17.51 17.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.596 1 C-N-CA 134.352 5.061 . . . . 0.0 110.496 174.094 . . . . . . . . 3 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.594 ' HB ' ' O ' ' A' ' 20' ' ' THR 0.724 1.1 mp -87.53 -36.3 9.48 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 N-CA-C 119.911 3.301 . . . . 0.0 119.911 164.904 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.533 3.1 m-85 -59.08 -36.77 75.67 Favored 'General case' 0 N--CA 1.478 0.974 1 C-N-CA 134.026 4.93 . . . . 0.0 116.024 161.96 . . . . . . . . 3 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -68.93 -9.33 51.34 Favored 'General case' 0 N--CA 1.469 0.513 1 N-CA-C 121.93 4.048 . . . . 0.0 121.93 161.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -105.36 -21.28 13.26 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 128.491 2.716 . . . . 0.0 116.619 168.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.554 HG11 ' O ' ' A' ' 24' ' ' ILE 0.488 0.8 OUTLIER . . . . . 0 CA--C 1.541 0.623 0 C-N-CA 130.35 3.46 . . . . 0.0 115.718 178.882 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.587 ' HA ' HG21 ' A' ' 13' ' ' THR 0.338 0.7 OUTLIER . . . . . 0 CA--C 1.534 0.345 0 CA-C-O 112.631 -3.557 . . . . 0.0 115.444 . . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.25 -5.76 3.73 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 121.532 3.901 . . . . 0.0 121.532 -177.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.424 1.2 mp -98.55 -60.49 2.71 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.751 2 CA-C-O 110.357 -4.639 . . . . 0.0 109.987 161.6 . . . . . . . . 3 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.587 HG21 ' HA ' ' A' ' 10' ' ' LEU 0.549 0.4 OUTLIER -46.4 -59.66 2.82 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 131.232 3.813 . . . . 0.0 119.475 179.779 . . . . . . . . 4 4 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.464 0.0 OUTLIER -52.43 -31.5 34.74 Favored 'General case' 0 N--CA 1.474 0.745 2 C-N-CA 140.491 7.516 . . . . 0.0 122.762 158.134 . . . . . . . . 4 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -102.83 -24.7 7.97 Favored Glycine 0 CA--C 1.524 0.641 0 CA-C-O 113.476 -3.958 . . . . 0.0 118.332 -164.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.453 ' H ' HD11 ' A' ' 16' ' ' ILE 0.557 0.1 OUTLIER -63.14 -29.45 47.25 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.882 0 CA-C-O 114.647 -2.597 . . . . 0.0 117.885 143.001 . . . . . . . . 4 4 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.315 0.0 OUTLIER -76.46 -36.25 28.21 Favored 'Isoleucine or valine' 0 C--N 1.357 0.922 0 C-N-CA 130.932 3.693 . . . . 0.0 114.804 166.374 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.8 mtt -69.36 -36.59 77.01 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 112.873 -3.441 . . . . 0.0 117.99 164.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.7 mtt -64.53 -23.61 67.33 Favored 'General case' 0 C--N 1.346 0.419 0 CA-C-O 113.066 -3.35 . . . . 0.0 118.344 165.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.531 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 2.1 p -85.13 -29.19 25.01 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 113.794 -3.003 . . . . 0.0 117.578 167.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.327 5.0 mt -76.45 -30.23 57.26 Favored 'General case' 0 N--CA 1.478 0.929 1 CA-C-O 111.574 -4.06 . . . . 0.0 117.277 163.74 . . . . . . . . 3 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . 0.507 1.8 tp -70.41 -45.58 74.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 131.363 3.865 . . . . 0.0 118.174 172.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.261 63.4 t -75.48 -18.67 15.84 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 1 C-N-CA 133.912 4.885 . . . . 0.0 110.15 172.451 . . . . . . . . 3 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.559 ' O ' HG11 ' A' ' 28' ' ' VAL 0.728 1.1 mp -84.82 -41.35 15.81 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 N-CA-C 120.699 3.592 . . . . 0.0 120.699 165.087 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.539 2.8 m-30 -55.07 -34.92 64.01 Favored 'General case' 0 N--CA 1.475 0.798 2 C-N-CA 134.377 5.071 . . . . 0.0 115.71 160.546 . . . . . . . . 3 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -69.57 -18.31 63.63 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 120.716 3.599 . . . . 0.0 120.716 165.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -101.63 -14.64 17.33 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 129.148 2.979 . . . . 0.0 116.511 172.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.559 HG11 ' O ' ' A' ' 24' ' ' ILE 0.468 0.7 OUTLIER . . . . . 0 CA--C 1.541 0.598 0 C-N-CA 130.075 3.35 . . . . 0.0 113.582 173.388 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.538 ' HA ' HG21 ' A' ' 13' ' ' THR 0.364 0.7 OUTLIER . . . . . 0 N--CA 1.468 0.444 0 CA-C-O 112.993 -3.384 . . . . 0.0 116.789 . . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.44 -6.06 6.55 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 121.115 3.746 . . . . 0.0 121.115 -177.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.435 1.3 mp -99.62 -58.67 3.72 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.775 2 CA-C-O 110.111 -4.757 . . . . 0.0 110.073 162.001 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.538 HG21 ' HA ' ' A' ' 10' ' ' LEU 0.555 0.3 OUTLIER -47.98 -60.24 2.75 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 130.762 3.625 . . . . 0.0 119.272 178.958 . . . . . . . . 4 4 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.395 0.0 OUTLIER -53.54 -29.0 34.71 Favored 'General case' 0 N--CA 1.475 0.787 2 C-N-CA 140.353 7.461 . . . . 0.0 122.081 157.844 . . . . . . . . 4 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -95.98 -34.54 5.9 Favored Glycine 0 CA--C 1.52 0.35 1 CA-C-O 109.942 -5.921 . . . . 0.0 116.083 -164.155 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.436 ' H ' HD11 ' A' ' 16' ' ' ILE 0.549 0.1 OUTLIER -62.06 -26.15 39.3 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 CA-C-O 113.743 -3.027 . . . . 0.0 117.231 150.586 . . . . . . . . 4 4 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.26 0.0 OUTLIER -80.16 -40.71 20.44 Favored 'Isoleucine or valine' 0 C--N 1.361 1.073 1 C-N-CA 132.041 4.136 . . . . 0.0 115.337 169.556 . . . . . . . . 4 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.65 -36.28 82.33 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 129.842 3.257 . . . . 0.0 117.454 161.141 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 51.1 mtt -72.55 -23.07 60.93 Favored 'General case' 0 C--N 1.345 0.409 0 C-N-CA 130.292 3.437 . . . . 0.0 115.313 174.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.523 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 2.6 p -81.99 -32.85 30.44 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 113.135 -3.317 . . . . 0.0 117.951 162.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.268 3.6 mt -76.81 -26.62 54.6 Favored 'General case' 0 N--CA 1.479 0.989 1 C-N-CA 132.09 4.156 . . . . 0.0 116.728 168.519 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . 0.485 2.3 tp -71.2 -46.02 68.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 1 C-N-CA 131.902 4.081 . . . . 0.0 117.867 169.49 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.258 84.8 t -73.78 -19.49 17.73 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 1 C-N-CA 133.462 4.705 . . . . 0.0 110.889 171.361 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.523 ' HB ' ' O ' ' A' ' 20' ' ' THR 0.747 1.1 mp -85.02 -36.94 11.84 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 N-CA-C 120.877 3.658 . . . . 0.0 120.877 164.907 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.512 2.7 m-85 -63.57 -29.2 70.49 Favored 'General case' 0 N--CA 1.474 0.749 1 C-N-CA 133.54 4.736 . . . . 0.0 117.113 163.756 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -72.96 -14.19 61.4 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 120.604 3.557 . . . . 0.0 120.604 160.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.75 -20.52 18.17 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 115.23 -2.319 . . . . 0.0 117.102 170.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.495 HG11 ' O ' ' A' ' 24' ' ' ILE 0.442 1.0 OUTLIER . . . . . 0 CA--C 1.54 0.576 0 C-N-CA 130.487 3.515 . . . . 0.0 115.795 178.738 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.577 ' HA ' HG21 ' A' ' 13' ' ' THR 0.365 0.4 OUTLIER . . . . . 0 N--CA 1.468 0.432 0 CA-C-O 113.306 -3.235 . . . . 0.0 115.786 . . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.25 -5.29 6.68 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 120.549 3.537 . . . . 0.0 120.549 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.461 0.7 OUTLIER -95.54 -60.7 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 2 CA-C-O 110.143 -4.741 . . . . 0.0 113.4 157.522 . . . . . . . . 4 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.577 HG21 ' HA ' ' A' ' 10' ' ' LEU 0.546 0.4 OUTLIER -46.99 -57.58 4.85 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 130.747 3.619 . . . . 0.0 120.691 178.972 . . . . . . . . 4 4 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.431 0.0 OUTLIER -55.03 -28.73 54.42 Favored 'General case' 0 N--CA 1.474 0.752 2 C-N-CA 140.826 7.65 . . . . 0.0 122.095 157.413 . . . . . . . . 4 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -103.43 -24.75 7.7 Favored Glycine 0 CA--C 1.524 0.596 0 CA-C-O 114.131 -3.594 . . . . 0.0 117.869 -162.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.504 ' H ' HD11 ' A' ' 16' ' ' ILE 0.528 0.1 OUTLIER -61.07 -30.02 46.88 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 N-CA-C 117.605 2.446 . . . . 0.0 117.605 143.616 . . . . . . . . 4 4 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.298 0.0 OUTLIER -78.57 -34.77 18.14 Favored 'Isoleucine or valine' 0 C--N 1.357 0.895 0 C-N-CA 131.076 3.75 . . . . 0.0 115.114 167.666 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -65.6 -37.58 87.03 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-O 112.183 -3.77 . . . . 0.0 116.174 161.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.0 ttp -69.81 -25.57 63.84 Favored 'General case' 0 C--N 1.347 0.47 0 CA-C-O 112.84 -3.457 . . . . 0.0 114.422 175.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.552 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 1.9 p -83.94 -31.62 25.51 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 113.619 -3.086 . . . . 0.0 116.707 170.117 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.377 5.6 mt -72.85 -34.15 66.59 Favored 'General case' 0 N--CA 1.478 0.958 1 CA-C-O 110.438 -4.601 . . . . 0.0 117.161 162.391 . . . . . . . . 3 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . 0.564 2.0 tp -67.3 -45.96 84.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 131.45 3.9 . . . . 0.0 118.231 173.307 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.278 85.4 t -75.54 -20.63 15.96 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 1 C-N-CA 134.265 5.026 . . . . 0.0 110.479 174.628 . . . . . . . . 3 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.563 ' O ' HG11 ' A' ' 28' ' ' VAL 0.726 1.2 mp -83.05 -41.15 16.91 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 N-CA-C 120.437 3.495 . . . . 0.0 120.437 165.148 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.487 2.4 m-85 -59.67 -30.42 68.75 Favored 'General case' 0 N--CA 1.474 0.76 1 C-N-CA 134.252 5.021 . . . . 0.0 116.965 160.769 . . . . . . . . 3 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -76.89 -4.76 45.42 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 120.715 3.598 . . . . 0.0 120.715 159.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . 0.309 . . -97.65 -38.88 9.35 Favored 'General case' 0 CA--C 1.534 0.359 1 CA-C-O 109.542 -5.027 . . . . 0.0 115.046 162.634 . . . . . . . . 3 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.563 HG11 ' O ' ' A' ' 24' ' ' ILE 0.482 0.8 OUTLIER . . . . . 0 CA--C 1.543 0.679 0 C-N-CA 129.671 3.188 . . . . 0.0 117.25 -176.926 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.564 ' HA ' HG21 ' A' ' 13' ' ' THR 0.349 0.9 OUTLIER . . . . . 0 CA--C 1.535 0.397 0 CA-C-O 112.106 -3.807 . . . . 0.0 116.303 . . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.69 -3.75 3.55 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 121.677 3.954 . . . . 0.0 121.677 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.438 1.0 OUTLIER -99.63 -61.36 2.36 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 2 CA-C-O 110.172 -4.728 . . . . 0.0 109.603 160.698 . . . . . . . . 4 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.564 HG21 ' HA ' ' A' ' 10' ' ' LEU 0.568 0.4 OUTLIER -45.47 -59.29 2.79 Favored 'General case' 0 N--CA 1.48 1.067 1 C-N-CA 131.919 4.088 . . . . 0.0 120.406 -179.875 . . . . . . . . 5 4 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.453 0.0 OUTLIER -53.63 -32.69 52.3 Favored 'General case' 0 N--CA 1.473 0.679 2 C-N-CA 140.687 7.595 . . . . 0.0 122.16 159.174 . . . . . . . . 4 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -101.1 -23.2 9.91 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 130.438 3.875 . . . . 0.0 119.214 -166.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.471 ' H ' HD11 ' A' ' 16' ' ' ILE 0.558 0.1 OUTLIER -63.79 -28.75 45.61 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 CA-C-O 114.7 -2.571 . . . . 0.0 117.658 143.179 . . . . . . . . 4 4 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.305 0.0 OUTLIER -78.85 -32.27 15.57 Favored 'Isoleucine or valine' 0 C--N 1.358 0.968 0 C-N-CA 131.666 3.986 . . . . 0.0 114.565 166.29 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.1 ttt -70.73 -36.38 73.15 Favored 'General case' 0 C--N 1.357 0.917 0 CA-C-O 112.913 -3.422 . . . . 0.0 114.886 164.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . 0.343 4.5 mtt -73.52 -20.59 60.62 Favored 'General case' 0 C--N 1.344 0.364 0 CA-C-O 113.666 -3.064 . . . . 0.0 117.288 175.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.552 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 3.1 p -81.25 -31.53 33.73 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 113.928 -2.939 . . . . 0.0 118.911 162.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.304 5.3 mt -78.7 -30.25 45.95 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 131.436 3.894 . . . . 0.0 117.041 165.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . 0.518 2.2 tp -68.41 -43.42 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 1 C-N-CA 131.709 4.004 . . . . 0.0 118.225 169.738 . . . . . . . . 3 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.274 87.9 t -79.55 -17.57 12.94 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.681 1 C-N-CA 134.084 4.954 . . . . 0.0 110.107 173.981 . . . . . . . . 3 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.566 ' O ' HG11 ' A' ' 28' ' ' VAL 0.716 1.1 mp -87.5 -36.62 9.92 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 N-CA-C 120.206 3.41 . . . . 0.0 120.206 165.203 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.509 2.8 m-85 -59.43 -35.44 74.02 Favored 'General case' 0 N--CA 1.478 0.966 1 C-N-CA 134.426 5.09 . . . . 0.0 115.987 160.367 . . . . . . . . 3 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -71.02 -7.1 44.0 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 120.911 3.671 . . . . 0.0 120.911 162.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -104.05 -25.29 13.04 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 114.362 -2.733 . . . . 0.0 116.622 166.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.566 HG11 ' O ' ' A' ' 24' ' ' ILE 0.504 0.7 OUTLIER . . . . . 0 CA--C 1.541 0.61 0 C-N-CA 129.938 3.295 . . . . 0.0 116.147 179.68 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.581 ' HA ' HG21 ' A' ' 13' ' ' THR 0.335 0.2 OUTLIER . . . . . 0 N--CA 1.47 0.545 0 CA-C-O 114.476 -2.678 . . . . 0.0 116.389 . . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.65 -2.86 10.06 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 120.271 3.434 . . . . 0.0 120.271 -178.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.54 0.2 OUTLIER -88.64 -60.69 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 1 CA-C-O 109.483 -5.056 . . . . 0.0 115.971 146.568 . . . . . . . . 4 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.581 HG21 ' HA ' ' A' ' 10' ' ' LEU 0.553 0.3 OUTLIER -45.33 -59.89 2.43 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 130.486 3.514 . . . . 0.0 120.425 -178.153 . . . . . . . . 4 4 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.432 0.0 OUTLIER -53.51 -30.36 41.02 Favored 'General case' 0 N--CA 1.473 0.679 2 C-N-CA 140.565 7.546 . . . . 0.0 122.187 157.443 . . . . . . . . 4 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -98.31 -27.36 8.73 Favored Glycine 0 CA--C 1.522 0.531 0 CA-C-O 113.503 -3.943 . . . . 0.0 118.003 -165.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.496 ' H ' HD11 ' A' ' 16' ' ' ILE 0.529 0.1 OUTLIER -63.1 -31.25 51.95 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.883 0 CA-C-O 115.048 -2.406 . . . . 0.0 117.019 147.954 . . . . . . . . 4 4 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.294 0.0 OUTLIER -75.02 -33.73 30.13 Favored 'Isoleucine or valine' 0 C--N 1.359 0.988 0 C-N-CA 131.664 3.986 . . . . 0.0 114.958 166.126 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.4 tmm? -75.4 -33.66 61.0 Favored 'General case' 0 C--N 1.354 0.771 1 CA-C-O 111.686 -4.007 . . . . 0.0 115.545 167.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 13.4 mmt -66.2 -27.2 67.81 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-O 113.718 -3.039 . . . . 0.0 116.829 166.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.559 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 3.0 p -81.53 -31.74 32.63 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 113.369 -3.205 . . . . 0.0 117.443 169.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.309 5.5 mt -75.76 -28.33 58.42 Favored 'General case' 0 N--CA 1.475 0.806 1 C-N-CA 131.894 4.077 . . . . 0.0 116.987 164.623 . . . . . . . . 3 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . 0.512 2.0 tp -71.87 -45.6 64.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 130.329 3.452 . . . . 0.0 117.252 171.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.269 90.7 t -74.71 -19.09 16.62 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 1 C-N-CA 133.478 4.711 . . . . 0.0 110.144 173.751 . . . . . . . . 3 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.559 ' HB ' ' O ' ' A' ' 20' ' ' THR 0.735 1.1 mp -84.29 -39.76 14.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 N-CA-C 120.862 3.652 . . . . 0.0 120.862 165.756 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.478 2.7 m-85 -61.59 -27.5 68.68 Favored 'General case' 0 N--CA 1.476 0.867 1 C-N-CA 134.43 5.092 . . . . 0.0 117.197 161.864 . . . . . . . . 3 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -74.93 -13.03 60.48 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 120.707 3.595 . . . . 0.0 120.707 159.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.21 -18.55 17.57 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 127.733 2.413 . . . . 0.0 117.07 168.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.525 HG11 ' O ' ' A' ' 24' ' ' ILE 0.461 0.9 OUTLIER . . . . . 0 CA--C 1.538 0.495 0 C-N-CA 130.269 3.427 . . . . 0.0 115.341 179.452 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.587 ' HA ' HG21 ' A' ' 13' ' ' THR 0.334 1.3 tt . . . . . 0 CA--C 1.535 0.37 0 CA-C-O 112.419 -3.657 . . . . 0.0 115.518 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.39 -8.35 5.9 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 121.224 3.786 . . . . 0.0 121.224 178.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.487 0.9 OUTLIER -94.38 -58.69 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 2 CA-C-O 110.18 -4.724 . . . . 0.0 112.943 158.868 . . . . . . . . 4 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.587 HG21 ' HA ' ' A' ' 10' ' ' LEU 0.563 0.4 OUTLIER -46.43 -60.23 2.47 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 131.347 3.859 . . . . 0.0 119.766 178.126 . . . . . . . . 4 4 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.434 0.0 OUTLIER -53.63 -30.23 41.85 Favored 'General case' 0 N--CA 1.472 0.658 2 C-N-CA 140.173 7.389 . . . . 0.0 122.781 157.471 . . . . . . . . 4 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -102.38 -22.19 9.99 Favored Glycine 0 CA--C 1.525 0.685 0 CA-C-O 113.7 -3.834 . . . . 0.0 118.83 -165.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.489 ' H ' HD11 ' A' ' 16' ' ' ILE 0.549 0.1 OUTLIER -62.24 -31.73 52.49 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-O 114.749 -2.548 . . . . 0.0 117.848 142.822 . . . . . . . . 4 4 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.291 0.0 OUTLIER -75.99 -33.45 25.05 Favored 'Isoleucine or valine' 0 C--N 1.357 0.932 0 C-N-CA 131.176 3.79 . . . . 0.0 115.686 167.243 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.46 -33.96 60.89 Favored 'General case' 0 C--N 1.355 0.817 1 CA-C-O 111.66 -4.019 . . . . 0.0 115.487 165.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 8.5 mmm -65.82 -24.78 66.98 Favored 'General case' 0 C--N 1.347 0.496 0 CA-C-O 113.285 -3.245 . . . . 0.0 117.341 167.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.546 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 4.3 p -83.25 -34.69 25.76 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 112.83 -3.462 . . . . 0.0 117.218 169.009 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.329 6.4 mt -73.27 -29.59 62.84 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 131.406 3.882 . . . . 0.0 117.239 164.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . 0.534 1.7 tp -68.52 -47.04 79.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 130.63 3.572 . . . . 0.0 117.695 170.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.262 87.6 t -76.09 -17.11 15.31 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 1 C-N-CA 134.164 4.985 . . . . 0.0 110.581 174.113 . . . . . . . . 3 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.546 ' HB ' ' O ' ' A' ' 20' ' ' THR 0.723 1.1 mp -87.85 -36.94 10.12 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 N-CA-C 120.455 3.502 . . . . 0.0 120.455 165.135 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.504 2.5 m-85 -59.56 -31.56 69.55 Favored 'General case' 0 N--CA 1.477 0.902 1 C-N-CA 134.161 4.984 . . . . 0.0 115.592 161.433 . . . . . . . . 3 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -74.07 -10.68 59.88 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 130.34 3.456 . . . . 0.0 120.24 163.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -101.24 -16.4 16.99 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 127.511 2.325 . . . . 0.0 116.504 167.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.516 HG11 ' O ' ' A' ' 24' ' ' ILE 0.51 0.6 OUTLIER . . . . . 0 CA--C 1.543 0.702 0 C-N-CA 130.545 3.538 . . . . 0.0 116.137 179.529 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.553 ' HA ' HG21 ' A' ' 13' ' ' THR 0.347 0.7 OUTLIER . . . . . 0 N--CA 1.469 0.496 0 CA-C-O 113.831 -2.985 . . . . 0.0 116.569 . . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.74 -3.74 10.24 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 120.531 3.53 . . . . 0.0 120.531 178.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.514 0.2 OUTLIER -92.36 -56.81 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 1 CA-C-O 109.726 -4.94 . . . . 0.0 116.151 148.223 . . . . . . . . 4 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.553 HG21 ' HA ' ' A' ' 10' ' ' LEU 0.561 0.4 OUTLIER -48.84 -59.71 3.35 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 120.372 3.471 . . . . 0.0 120.372 -177.728 . . . . . . . . 4 4 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.422 0.0 OUTLIER -51.63 -29.0 16.01 Favored 'General case' 0 N--CA 1.472 0.666 2 C-N-CA 140.441 7.496 . . . . 0.0 122.408 155.138 . . . . . . . . 4 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -101.83 -23.87 9.02 Favored Glycine 0 CA--C 1.522 0.518 1 CA-C-O 112.899 -4.278 . . . . 0.0 117.964 -163.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.516 ' H ' HD11 ' A' ' 16' ' ' ILE 0.547 0.1 OUTLIER -63.11 -30.85 50.69 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 N-CA-C 117.968 2.581 . . . . 0.0 117.968 144.923 . . . . . . . . 4 4 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.276 0.0 OUTLIER -77.56 -37.25 24.35 Favored 'Isoleucine or valine' 0 C--N 1.358 0.971 0 C-N-CA 131.394 3.878 . . . . 0.0 115.271 169.328 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -32.0 71.63 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-O 112.412 -3.661 . . . . 0.0 118.37 161.277 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 28.0 mtt -73.52 -22.03 60.22 Favored 'General case' 0 C--N 1.344 0.353 0 CA-C-O 114.086 -2.864 . . . . 0.0 117.253 170.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.526 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 4.7 p -82.98 -30.55 28.14 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 114.183 -2.818 . . . . 0.0 118.442 163.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.288 4.5 mt -78.19 -28.35 48.11 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 131.577 3.951 . . . . 0.0 116.744 166.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . 0.49 1.8 tp -70.05 -44.04 78.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 131.408 3.883 . . . . 0.0 117.806 170.096 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.268 98.7 t -77.52 -17.05 14.28 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 1 C-N-CA 133.62 4.768 . . . . 0.0 110.696 173.67 . . . . . . . . 3 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.526 ' HB ' ' O ' ' A' ' 20' ' ' THR 0.724 1.2 mp -87.88 -36.61 9.69 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 N-CA-C 120.173 3.397 . . . . 0.0 120.173 165.648 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.479 3.2 m-30 -63.57 -28.34 69.87 Favored 'General case' 0 N--CA 1.478 0.949 1 C-N-CA 134.211 5.005 . . . . 0.0 116.483 163.01 . . . . . . . . 3 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -73.62 -13.07 60.94 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 120.621 3.563 . . . . 0.0 120.621 160.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.82 -17.3 17.73 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 128.198 2.599 . . . . 0.0 116.996 170.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.51 HG11 ' O ' ' A' ' 24' ' ' ILE 0.477 0.8 OUTLIER . . . . . 0 CA--C 1.54 0.576 0 C-N-CA 130.205 3.402 . . . . 0.0 115.525 178.453 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.617 ' HA ' HG21 ' A' ' 13' ' ' THR 0.29 0.6 OUTLIER . . . . . 0 CA--C 1.533 0.322 0 CA-C-O 113.467 -3.159 . . . . 0.0 115.872 . . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.04 -4.25 27.66 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 119.716 3.228 . . . . 0.0 119.716 -178.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.512 0.2 OUTLIER -90.49 -56.27 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 1 CA-C-O 110.353 -4.641 . . . . 0.0 116.479 148.588 . . . . . . . . 4 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.617 HG21 ' HA ' ' A' ' 10' ' ' LEU 0.537 0.4 OUTLIER -51.37 -58.54 5.96 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 129.872 3.269 . . . . 0.0 119.647 -176.187 . . . . . . . . 4 4 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.446 0.0 OUTLIER -51.31 -31.8 22.9 Favored 'General case' 0 N--CA 1.473 0.718 2 C-N-CA 140.386 7.474 . . . . 0.0 122.496 154.077 . . . . . . . . 4 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -95.61 -25.45 13.53 Favored Glycine 0 C--N 1.336 0.549 0 CA-C-O 113.66 -3.856 . . . . 0.0 119.21 -167.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.506 ' H ' HD11 ' A' ' 16' ' ' ILE 0.556 0.1 OUTLIER -62.3 -29.74 47.36 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.849 0 N-CA-C 118.062 2.615 . . . . 0.0 118.062 145.846 . . . . . . . . 4 4 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.28 0.0 OUTLIER -78.2 -37.42 22.33 Favored 'Isoleucine or valine' 0 C--N 1.358 0.962 0 C-N-CA 131.577 3.951 . . . . 0.0 114.942 168.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -37.6 88.0 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 112.858 -3.448 . . . . 0.0 117.12 160.26 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 5.8 mtp -69.76 -22.65 63.34 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-O 113.113 -3.327 . . . . 0.0 117.147 173.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.543 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 2.0 p -84.02 -31.38 25.47 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 113.774 -3.012 . . . . 0.0 118.129 164.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.293 4.6 mt -78.79 -24.55 44.54 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 131.431 3.893 . . . . 0.0 116.834 166.439 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . 0.484 2.6 tp -74.51 -44.62 47.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 131.012 3.725 . . . . 0.0 118.09 170.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.267 86.2 t -75.35 -16.74 15.85 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.716 1 C-N-CA 133.685 4.794 . . . . 0.0 110.672 170.788 . . . . . . . . 3 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.543 ' HB ' ' O ' ' A' ' 20' ' ' THR 0.724 1.2 mp -88.33 -34.66 7.26 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 N-CA-C 120.026 3.343 . . . . 0.0 120.026 164.544 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.538 3.0 m-30 -64.74 -30.67 71.68 Favored 'General case' 0 N--CA 1.474 0.734 1 C-N-CA 133.356 4.662 . . . . 0.0 116.847 164.669 . . . . . . . . 3 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -72.2 -14.11 61.71 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 120.339 3.459 . . . . 0.0 120.339 161.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.51 -15.6 18.61 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 127.81 2.444 . . . . 0.0 116.549 171.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.501 HG11 ' O ' ' A' ' 24' ' ' ILE 0.449 1.0 OUTLIER . . . . . 0 CA--C 1.541 0.611 0 C-N-CA 131.16 3.784 . . . . 0.0 115.522 179.142 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.56 ' HA ' HG21 ' A' ' 13' ' ' THR 0.337 0.7 OUTLIER . . . . . 0 N--CA 1.466 0.361 0 CA-C-O 113.345 -3.217 . . . . 0.0 115.52 . . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.87 -8.23 20.89 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 120.365 3.469 . . . . 0.0 120.365 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.459 0.9 OUTLIER -91.26 -60.68 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 2 CA-C-O 110.887 -4.387 . . . . 0.0 113.729 154.354 . . . . . . . . 4 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.56 HG21 ' HA ' ' A' ' 10' ' ' LEU 0.553 0.3 OUTLIER -46.31 -59.96 2.61 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 130.74 3.616 . . . . 0.0 120.381 -178.604 . . . . . . . . 4 4 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.411 0.0 OUTLIER -52.51 -32.74 41.79 Favored 'General case' 0 N--CA 1.471 0.61 2 C-N-CA 140.847 7.659 . . . . 0.0 122.03 156.614 . . . . . . . . 4 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -96.85 -23.29 15.73 Favored Glycine 0 CA--C 1.523 0.559 0 C-N-CA 130.649 3.976 . . . . 0.0 119.34 -167.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.494 ' H ' HD11 ' A' ' 16' ' ' ILE 0.523 0.1 OUTLIER -63.95 -32.58 57.73 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.87 0 CA-C-O 114.963 -2.446 . . . . 0.0 117.437 144.767 . . . . . . . . 4 4 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.299 0.0 OUTLIER -72.89 -38.03 55.78 Favored 'Isoleucine or valine' 0 C--N 1.359 0.981 0 C-N-CA 131.408 3.883 . . . . 0.0 114.455 166.264 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.401 ' O ' HG21 ' A' ' 22' ' ' ILE 0.254 0.8 OUTLIER -66.7 -38.57 87.0 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-O 112.006 -3.854 . . . . 0.0 116.248 164.155 . . . . . . . . 4 4 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.34 -25.61 68.38 Favored 'General case' 0 C--N 1.343 0.325 0 CA-C-O 112.569 -3.586 . . . . 0.0 118.574 168.386 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.531 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 1.2 p -84.35 -33.41 23.86 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 114.058 -2.877 . . . . 0.0 116.546 169.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.257 10.5 mp -77.72 -30.95 51.96 Favored 'General case' 0 CA--C 1.546 0.813 1 CA-C-O 111.3 -4.19 . . . . 0.0 115.382 171.565 . . . . . . . . 3 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.401 HG21 ' O ' ' A' ' 18' ' ' MET 0.536 2.5 tp -65.64 -50.02 74.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 1 C-N-CA 132.135 4.174 . . . . 0.0 118.765 168.254 . . . . . . . . 4 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.254 84.8 t -72.78 -18.05 18.46 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 1 C-N-CA 133.789 4.836 . . . . 0.0 110.629 175.258 . . . . . . . . 3 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.531 ' HB ' ' O ' ' A' ' 20' ' ' THR 0.69 1.2 mp -86.29 -40.36 14.26 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 C-N-CA 129.765 3.226 . . . . 0.0 118.999 165.104 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.549 3.2 m-85 -55.91 -31.69 63.1 Favored 'General case' 0 N--CA 1.474 0.758 2 C-N-CA 133.763 4.825 . . . . 0.0 116.543 161.599 . . . . . . . . 3 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -71.44 -19.18 62.27 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 120.828 3.64 . . . . 0.0 120.828 163.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -102.94 -14.05 16.67 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 129.695 3.198 . . . . 0.0 116.32 175.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.512 HG11 ' O ' ' A' ' 24' ' ' ILE 0.47 0.7 OUTLIER . . . . . 0 CA--C 1.54 0.579 0 C-N-CA 130.604 3.561 . . . . 0.0 113.82 172.368 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.523 ' HA ' HG21 ' A' ' 13' ' ' THR 0.353 0.5 OUTLIER . . . . . 0 CA--C 1.535 0.386 0 CA-C-O 113.791 -3.004 . . . . 0.0 116.663 . . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.09 -3.38 3.61 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 120.006 3.336 . . . . 0.0 120.006 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.484 0.3 OUTLIER -100.31 -51.9 9.25 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 C-N-CA 129.93 3.292 . . . . 0.0 114.159 157.603 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.523 HG21 ' HA ' ' A' ' 10' ' ' LEU 0.567 0.3 OUTLIER -52.58 -62.12 1.85 Allowed 'General case' 0 N--CA 1.481 1.117 1 C-N-CA 132.168 4.187 . . . . 0.0 119.196 178.811 . . . . . . . . 5 4 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.381 0.0 OUTLIER -49.54 -30.05 7.89 Favored 'General case' 0 N--CA 1.471 0.602 1 C-N-CA 139.454 7.101 . . . . 0.0 121.04 151.254 . . . . . . . . 4 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -92.14 -33.99 7.41 Favored Glycine 0 C--N 1.334 0.429 0 C-N-CA 128.768 3.08 . . . . 0.0 117.459 -165.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . 0.602 1.0 OUTLIER -59.31 -33.01 49.7 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 CA-C-O 112.862 -3.447 . . . . 0.0 117.666 152.421 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -78.26 -38.78 23.77 Favored 'Isoleucine or valine' 0 C--N 1.358 0.96 1 C-N-CA 132.133 4.173 . . . . 0.0 114.448 171.168 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.3 mtt -69.98 -27.33 64.63 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-O 112.43 -3.652 . . . . 0.0 118.831 160.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . 0.252 1.6 tpt -73.43 -32.0 64.14 Favored 'General case' 0 C--N 1.347 0.482 0 CA-C-O 113.214 -3.279 . . . . 0.0 115.735 167.236 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.622 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 14.7 p -81.49 -33.36 31.96 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 112.271 -3.728 . . . . 0.0 115.371 178.482 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.414 12.1 mt -65.3 -37.91 88.6 Favored 'General case' 0 N--CA 1.475 0.806 1 CA-C-O 109.52 -5.038 . . . . 0.0 118.393 153.933 . . . . . . . . 3 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . 0.578 1.9 tp -67.79 -43.55 86.22 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 CA-C-N 125.282 3.674 . . . . 0.0 119.101 174.032 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 89.7 t -78.79 -19.73 13.06 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 1 C-N-CA 134.144 4.978 . . . . 0.0 109.639 175.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.622 ' HB ' ' O ' ' A' ' 20' ' ' THR 0.777 1.1 mp -83.87 -41.01 16.23 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 N-CA-C 120.421 3.489 . . . . 0.0 120.421 164.244 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.502 2.4 m-85 -58.24 -25.14 61.35 Favored 'General case' 0 N--CA 1.477 0.901 1 C-N-CA 133.737 4.815 . . . . 0.0 117.738 161.277 . . . . . . . . 3 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -77.11 -15.18 59.66 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 130.771 3.629 . . . . 0.0 119.684 160.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.06 -15.53 20.96 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 117.916 2.562 . . . . 0.0 117.916 171.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.525 HG11 ' O ' ' A' ' 24' ' ' ILE 0.436 0.8 OUTLIER . . . . . 0 CA--C 1.541 0.617 1 C-N-CA 131.96 4.104 . . . . 0.0 114.974 178.78 . . . . . . . . 4 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.609 ' HA ' HG21 ' A' ' 13' ' ' THR 0.303 0.7 OUTLIER . . . . . 0 CA--C 1.534 0.34 1 CA-C-O 111.667 -4.016 . . . . 0.0 114.886 . . . . . . . . . 4 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.32 -4.58 26.82 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 120.186 3.402 . . . . 0.0 120.186 -177.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.446 0.8 OUTLIER -96.15 -54.48 7.04 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 2 CA-C-O 110.062 -4.78 . . . . 0.0 113.439 157.05 . . . . . . . . 4 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.609 HG21 ' HA ' ' A' ' 10' ' ' LEU 0.562 0.4 OUTLIER -51.43 -60.48 3.09 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 130.521 3.528 . . . . 0.0 119.896 179.813 . . . . . . . . 4 4 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.399 0.0 OUTLIER -53.18 -27.22 20.34 Favored 'General case' 0 N--CA 1.472 0.647 1 C-N-CA 140.711 7.604 . . . . 0.0 121.738 155.752 . . . . . . . . 4 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -95.91 -31.86 7.13 Favored Glycine 0 CA--C 1.521 0.46 1 CA-C-O 112.899 -4.278 . . . . 0.0 117.873 -166.133 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.501 ' H ' HD11 ' A' ' 16' ' ' ILE 0.546 0.1 OUTLIER -60.2 -29.26 43.53 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.808 0 N-CA-C 118.073 2.619 . . . . 0.0 118.073 148.176 . . . . . . . . 4 4 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.33 0.0 OUTLIER -77.18 -37.77 26.4 Favored 'Isoleucine or valine' 0 C--N 1.357 0.909 0 C-N-CA 131.585 3.954 . . . . 0.0 115.641 167.803 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . 0.253 2.5 ttp -67.06 -36.43 82.02 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-O 112.449 -3.644 . . . . 0.0 116.695 161.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 32.2 mtm -65.85 -24.41 66.88 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-O 113.784 -3.007 . . . . 0.0 117.155 169.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.514 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 2.0 p -85.97 -29.91 23.17 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 113.633 -3.08 . . . . 0.0 117.964 166.337 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.302 5.3 mt -75.94 -29.39 58.3 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-O 111.72 -3.991 . . . . 0.0 116.871 162.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . 0.526 2.0 tp -69.94 -44.96 78.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 131.105 3.762 . . . . 0.0 118.351 172.459 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.259 67.1 t -76.87 -16.89 14.71 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 1 C-N-CA 134.224 5.01 . . . . 0.0 110.589 172.05 . . . . . . . . 3 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.527 ' O ' HG11 ' A' ' 28' ' ' VAL 0.763 1.1 mp -85.97 -36.63 10.87 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 N-CA-C 121.596 3.925 . . . . 0.0 121.596 163.427 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.46 2.6 m-85 -63.73 -30.69 71.76 Favored 'General case' 0 N--CA 1.477 0.894 1 C-N-CA 134.4 5.08 . . . . 0.0 116.45 161.898 . . . . . . . . 3 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -75.56 -6.99 53.06 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 120.735 3.606 . . . . 0.0 120.735 158.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . 0.336 . . -93.28 -38.4 11.54 Favored 'General case' 0 CA--C 1.537 0.443 1 CA-C-O 109.249 -5.167 . . . . 0.0 115.662 157.916 . . . . . . . . 3 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.527 HG11 ' O ' ' A' ' 24' ' ' ILE 0.537 0.9 OUTLIER . . . . . 0 CA--C 1.54 0.566 0 N-CA-C 118.159 2.651 . . . . 0.0 118.159 -174.668 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.682 ' HA ' HG21 ' A' ' 13' ' ' THR . 0.4 OUTLIER . . . . . 0 CA--C 1.536 0.413 0 CA-C-O 112.845 -3.455 . . . . 0.0 115.335 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.83 -11.67 29.24 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 120.042 3.349 . . . . 0.0 120.042 -176.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.515 0.7 OUTLIER -89.66 -55.59 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 1 CA-C-O 109.853 -4.88 . . . . 0.0 115.561 155.007 . . . . . . . . 4 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.682 HG21 ' HA ' ' A' ' 10' ' ' LEU 0.551 0.4 OUTLIER -48.65 -59.35 3.6 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 130.496 3.518 . . . . 0.0 119.483 179.535 . . . . . . . . 4 4 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.403 0.0 OUTLIER -53.72 -28.52 34.56 Favored 'General case' 0 N--CA 1.472 0.638 2 C-N-CA 141.243 7.817 . . . . 0.0 122.305 156.242 . . . . . . . . 4 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -98.86 -30.31 6.83 Favored Glycine 0 C--N 1.335 0.481 1 CA-C-O 112.235 -4.647 . . . . 0.0 117.173 -163.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.473 ' H ' HD11 ' A' ' 16' ' ' ILE 0.518 0.1 OUTLIER -60.81 -29.57 45.48 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 CA-C-O 114.682 -2.58 . . . . 0.0 117.477 148.454 . . . . . . . . 4 4 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -78.73 -33.48 16.64 Favored 'Isoleucine or valine' 0 C--N 1.358 0.958 0 C-N-CA 131.173 3.789 . . . . 0.0 114.64 168.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -72.97 -34.65 66.61 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 112.18 -3.771 . . . . 0.0 115.747 164.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 17.5 mtm -71.02 -23.39 62.16 Favored 'General case' 0 C--N 1.345 0.406 0 CA-C-O 113.359 -3.21 . . . . 0.0 116.994 171.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.526 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 3.3 p -79.81 -36.07 37.52 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 113.411 -3.185 . . . . 0.0 117.771 163.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.3 4.0 mt -75.34 -27.93 59.4 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 131.058 3.743 . . . . 0.0 116.789 168.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . 0.52 2.1 tp -69.18 -45.5 79.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 131.521 3.928 . . . . 0.0 118.192 168.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.288 91.1 t -75.8 -18.25 15.56 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 1 C-N-CA 134.116 4.966 . . . . 0.0 111.125 172.375 . . . . . . . . 3 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.531 ' O ' HG11 ' A' ' 28' ' ' VAL 0.749 1.1 mp -86.31 -37.47 11.62 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 N-CA-C 120.798 3.629 . . . . 0.0 120.798 165.08 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.478 2.6 m-85 -61.67 -32.71 72.9 Favored 'General case' 0 N--CA 1.478 0.964 1 C-N-CA 134.725 5.21 . . . . 0.0 115.318 161.635 . . . . . . . . 3 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -73.44 -7.02 50.01 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 120.704 3.594 . . . . 0.0 120.704 161.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -101.59 -28.65 12.4 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 114.019 -2.896 . . . . 0.0 116.634 164.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.531 HG11 ' O ' ' A' ' 24' ' ' ILE 0.51 0.7 OUTLIER . . . . . 0 CA--C 1.539 0.543 0 C-N-CA 130.267 3.427 . . . . 0.0 115.706 -179.482 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.646 ' HA ' HG21 ' A' ' 13' ' ' THR 0.302 1.0 OUTLIER . . . . . 0 N--CA 1.468 0.43 0 CA-C-O 113.857 -2.973 . . . . 0.0 115.484 . . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.53 -4.68 9.03 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 120.997 3.703 . . . . 0.0 120.997 -178.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.46 0.8 OUTLIER -95.0 -55.62 5.95 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 2 CA-C-O 109.944 -4.836 . . . . 0.0 113.253 156.365 . . . . . . . . 4 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.646 HG21 ' HA ' ' A' ' 10' ' ' LEU 0.569 0.4 OUTLIER -50.89 -61.83 1.98 Allowed 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 130.359 3.463 . . . . 0.0 118.716 -178.747 . . . . . . . . 4 4 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.397 0.0 OUTLIER -52.49 -24.51 8.15 Favored 'General case' 0 N--CA 1.473 0.72 2 C-N-CA 140.768 7.627 . . . . 0.0 122.217 156.52 . . . . . . . . 4 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -100.29 -33.8 5.02 Favored Glycine 0 C--N 1.333 0.396 1 CA-C-O 111.343 -5.143 . . . . 0.0 116.317 -162.297 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.485 ' H ' HD11 ' A' ' 16' ' ' ILE 0.515 0.1 OUTLIER -60.05 -30.52 45.81 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.837 0 O-C-N 127.753 2.678 . . . . 0.0 117.41 148.202 . . . . . . . . 4 4 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.35 0.1 OUTLIER -75.93 -33.47 25.36 Favored 'Isoleucine or valine' 0 C--N 1.357 0.912 0 C-N-CA 130.754 3.622 . . . . 0.0 115.356 165.825 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.4 ' O ' HG21 ' A' ' 22' ' ' ILE 0.285 0.0 OUTLIER -71.42 -38.99 71.36 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-O 113.199 -3.286 . . . . 0.0 117.238 162.393 . . . . . . . . 4 4 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.2 mmt -64.39 -19.33 65.43 Favored 'General case' 0 C--N 1.343 0.3 0 CA-C-O 112.958 -3.401 . . . . 0.0 117.157 171.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.526 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 5.1 p -89.45 -35.24 16.11 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 113.929 -2.939 . . . . 0.0 116.588 168.632 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.2 mp -79.46 -25.32 41.94 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 130.655 3.582 . . . . 0.0 115.319 173.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.4 HG21 ' O ' ' A' ' 18' ' ' MET 0.494 2.0 tp -68.39 -49.28 67.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 131.51 3.924 . . . . 0.0 118.13 165.552 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.25 90.6 t -72.92 -17.89 18.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 1 C-N-CA 134.238 5.015 . . . . 0.0 111.182 173.689 . . . . . . . . 3 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.526 ' HB ' ' O ' ' A' ' 20' ' ' THR 0.714 1.1 mp -85.46 -36.92 11.55 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 N-CA-C 120.359 3.466 . . . . 0.0 120.359 163.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.499 3.1 m-85 -60.59 -28.27 68.36 Favored 'General case' 0 N--CA 1.477 0.901 1 C-N-CA 134.055 4.942 . . . . 0.0 117.475 162.41 . . . . . . . . 3 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -76.63 -13.89 60.02 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 120.606 3.558 . . . . 0.0 120.606 162.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.33 -16.79 19.2 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 128.072 2.549 . . . . 0.0 117.223 168.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.503 HG11 ' O ' ' A' ' 24' ' ' ILE 0.464 0.9 OUTLIER . . . . . 0 CA--C 1.542 0.649 0 C-N-CA 131.222 3.809 . . . . 0.0 114.855 178.648 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.522 ' HA ' HG21 ' A' ' 13' ' ' THR 0.361 1.1 tt . . . . . 0 N--CA 1.468 0.452 0 CA-C-O 112.716 -3.516 . . . . 0.0 116.347 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.19 -0.85 1.88 Allowed 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 121.419 3.859 . . . . 0.0 121.419 -178.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.45 1.2 mp -101.87 -58.09 4.1 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 2 CA-C-O 110.049 -4.786 . . . . 0.0 109.475 160.466 . . . . . . . . 3 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.522 HG21 ' HA ' ' A' ' 10' ' ' LEU 0.556 0.4 OUTLIER -50.03 -60.42 2.95 Favored 'General case' 0 N--CA 1.482 1.14 1 C-N-CA 131.731 4.012 . . . . 0.0 119.127 -179.03 . . . . . . . . 5 4 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.427 0.0 OUTLIER -52.06 -29.03 19.52 Favored 'General case' 0 N--CA 1.472 0.67 2 C-N-CA 139.843 7.257 . . . . 0.0 122.745 157.18 . . . . . . . . 4 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -103.32 -26.96 6.69 Favored Glycine 0 CA--C 1.522 0.503 1 CA-C-O 112.413 -4.548 . . . . 0.0 117.631 -163.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.445 ' H ' HD11 ' A' ' 16' ' ' ILE 0.544 0.1 OUTLIER -62.92 -29.75 47.92 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.851 0 CA-C-O 114.628 -2.606 . . . . 0.0 117.462 144.406 . . . . . . . . 4 4 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.3 0.0 OUTLIER -74.33 -34.89 38.1 Favored 'Isoleucine or valine' 0 C--N 1.359 1.014 0 C-N-CA 130.428 3.491 . . . . 0.0 115.465 165.123 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -75.72 -34.63 60.36 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 113.017 -3.373 . . . . 0.0 117.342 168.008 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 11.9 mtt -62.97 -28.14 69.88 Favored 'General case' 0 C--N 1.345 0.403 0 CA-C-O 113.448 -3.168 . . . . 0.0 116.774 166.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.551 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 4.3 p -80.55 -35.17 34.77 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 113.338 -3.22 . . . . 0.0 116.829 169.545 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.375 6.1 mt -71.39 -31.75 67.65 Favored 'General case' 0 N--CA 1.477 0.921 1 CA-C-O 110.746 -4.455 . . . . 0.0 116.975 164.339 . . . . . . . . 3 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . 0.535 1.7 tp -70.07 -41.82 79.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 131.598 3.959 . . . . 0.0 117.836 171.407 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.261 59.2 t -77.56 -19.02 14.07 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 1 C-N-CA 134.85 5.26 . . . . 0.0 110.792 172.339 . . . . . . . . 3 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.555 ' O ' HG11 ' A' ' 28' ' ' VAL 0.752 1.1 mp -88.13 -43.28 15.36 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 N-CA-C 120.296 3.443 . . . . 0.0 120.296 168.184 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.455 3.3 m-30 -52.91 -35.15 57.86 Favored 'General case' 0 N--CA 1.476 0.865 1 C-N-CA 134.974 5.309 . . . . 0.0 116.449 154.959 . . . . . . . . 3 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . 0.364 79.5 t60 -61.71 -25.16 67.25 Favored 'General case' 0 N--CA 1.469 0.476 1 CA-C-O 107.207 -6.139 . . . . 0.0 119.178 159.919 . . . . . . . . 3 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.29 -16.15 18.59 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 117.017 2.229 . . . . 0.0 117.017 177.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.555 HG11 ' O ' ' A' ' 24' ' ' ILE 0.434 0.8 OUTLIER . . . . . 0 CA--C 1.54 0.577 0 C-N-CA 130.47 3.508 . . . . 0.0 113.542 177.596 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.688 ' HA ' HG21 ' A' ' 13' ' ' THR 0.253 0.6 OUTLIER . . . . . 0 CA--C 1.534 0.34 0 CA-C-O 112.075 -3.821 . . . . 0.0 114.14 . . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.65 -8.77 15.69 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 121.037 3.717 . . . . 0.0 121.037 -178.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.508 0.8 OUTLIER -92.8 -57.09 4.58 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 1 CA-C-O 110.208 -4.711 . . . . 0.0 113.332 156.969 . . . . . . . . 4 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.688 HG21 ' HA ' ' A' ' 10' ' ' LEU 0.555 0.3 OUTLIER -47.45 -59.5 3.18 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 130.866 3.666 . . . . 0.0 119.987 179.531 . . . . . . . . 4 4 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.417 0.0 OUTLIER -53.72 -31.32 47.75 Favored 'General case' 0 N--CA 1.471 0.607 2 C-N-CA 141.376 7.87 . . . . 0.0 122.918 157.621 . . . . . . . . 4 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -101.2 -22.66 10.38 Favored Glycine 0 CA--C 1.522 0.502 0 CA-C-O 113.789 -3.784 . . . . 0.0 118.376 -164.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.475 ' H ' HD11 ' A' ' 16' ' ' ILE 0.538 0.1 OUTLIER -63.77 -31.93 55.02 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.828 0 CA-C-O 114.717 -2.563 . . . . 0.0 117.588 144.028 . . . . . . . . 4 4 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.28 0.0 OUTLIER -74.79 -35.7 37.5 Favored 'Isoleucine or valine' 0 C--N 1.359 0.996 0 C-N-CA 131.432 3.893 . . . . 0.0 114.481 166.47 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -70.31 -36.76 74.5 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 112.156 -3.783 . . . . 0.0 116.8 164.553 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 13.4 mtp -62.16 -27.42 68.94 Favored 'General case' 0 C--N 1.347 0.462 0 CA-C-O 113.282 -3.246 . . . . 0.0 118.278 166.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.512 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 2.2 p -83.88 -31.36 25.76 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 114.309 -2.758 . . . . 0.0 117.48 169.635 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.39 5.4 mt -72.82 -36.14 67.46 Favored 'General case' 0 N--CA 1.476 0.868 1 CA-C-O 110.553 -4.546 . . . . 0.0 116.432 162.554 . . . . . . . . 3 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . 0.569 1.7 tp -64.73 -44.11 96.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 131.26 3.824 . . . . 0.0 118.649 173.094 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.264 90.7 t -78.13 -20.11 13.56 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 1 C-N-CA 133.812 4.845 . . . . 0.0 110.107 175.596 . . . . . . . . 3 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.568 ' O ' HG11 ' A' ' 28' ' ' VAL 0.714 1.2 mp -84.89 -40.58 15.16 Favored 'Isoleucine or valine' 0 C--N 1.351 0.64 0 N-CA-C 119.838 3.273 . . . . 0.0 119.838 166.912 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.504 2.3 m-85 -56.66 -34.86 67.75 Favored 'General case' 0 N--CA 1.472 0.661 2 C-N-CA 134.016 4.926 . . . . 0.0 116.938 160.271 . . . . . . . . 3 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -71.27 -10.49 59.85 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 121.128 3.751 . . . . 0.0 121.128 160.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -101.82 -21.03 14.68 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 114.797 -2.525 . . . . 0.0 117.045 166.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.568 HG11 ' O ' ' A' ' 24' ' ' ILE 0.49 0.9 OUTLIER . . . . . 0 CA--C 1.539 0.541 0 C-N-CA 129.323 3.049 . . . . 0.0 116.34 178.626 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.51 ' HA ' HG21 ' A' ' 13' ' ' THR 0.371 0.4 OUTLIER . . . . . 0 N--CA 1.469 0.512 0 CA-C-O 113.204 -3.284 . . . . 0.0 116.08 . . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.25 -6.5 9.8 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 120.628 3.566 . . . . 0.0 120.628 179.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.444 0.7 OUTLIER -92.97 -59.7 2.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 1 CA-C-O 110.45 -4.595 . . . . 0.0 113.237 155.446 . . . . . . . . 4 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.51 HG21 ' HA ' ' A' ' 10' ' ' LEU 0.548 0.3 OUTLIER -49.17 -61.85 1.85 Allowed 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 130.567 3.547 . . . . 0.0 119.917 -179.282 . . . . . . . . 4 4 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.38 0.0 OUTLIER -49.57 -28.01 5.14 Favored 'General case' 0 N--CA 1.473 0.682 2 C-N-CA 139.957 7.303 . . . . 0.0 122.176 154.189 . . . . . . . . 4 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -97.78 -32.62 6.15 Favored Glycine 0 C--N 1.334 0.452 1 CA-C-O 111.052 -5.304 . . . . 0.0 117.025 -164.656 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.459 ' H ' HD11 ' A' ' 16' ' ' ILE 0.535 0.1 OUTLIER -58.82 -31.28 44.51 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 CA-C-O 114.732 -2.556 . . . . 0.0 117.506 147.199 . . . . . . . . 4 4 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.337 0.0 OUTLIER -76.26 -35.68 28.31 Favored 'Isoleucine or valine' 0 C--N 1.357 0.926 0 C-N-CA 131.143 3.777 . . . . 0.0 115.344 167.318 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -71.0 -37.05 72.67 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 113.221 -3.276 . . . . 0.0 115.65 164.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.5 mtp -68.75 -22.81 64.28 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 129.847 3.259 . . . . 0.0 117.216 175.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.534 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 2.0 p -80.51 -35.77 34.17 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 113.457 -3.163 . . . . 0.0 117.779 162.595 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.7 mp -79.31 -26.56 42.22 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 131.076 3.751 . . . . 0.0 115.952 173.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . 0.476 1.9 tp -68.1 -49.32 68.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 1 C-N-CA 133.031 4.533 . . . . 0.0 118.102 166.019 . . . . . . . . 3 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.256 91.5 t -72.46 -18.19 18.87 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 1 C-N-CA 133.79 4.836 . . . . 0.0 110.689 173.172 . . . . . . . . 3 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.534 ' HB ' ' O ' ' A' ' 20' ' ' THR 0.711 1.1 mp -86.49 -37.54 11.59 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 N-CA-C 120.007 3.336 . . . . 0.0 120.007 165.139 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.514 3.2 m-85 -59.23 -30.65 68.4 Favored 'General case' 0 N--CA 1.476 0.847 1 C-N-CA 133.916 4.886 . . . . 0.0 116.379 161.668 . . . . . . . . 3 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -77.07 -12.37 59.93 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 120.114 3.376 . . . . 0.0 120.114 164.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.09 -16.95 18.46 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 128.01 2.524 . . . . 0.0 116.984 167.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.507 HG11 ' O ' ' A' ' 24' ' ' ILE 0.474 0.8 OUTLIER . . . . . 0 CA--C 1.541 0.619 0 C-N-CA 130.508 3.523 . . . . 0.0 114.764 177.307 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.687 ' HA ' HG21 ' A' ' 13' ' ' THR 0.25 0.7 OUTLIER . . . . . 0 CA--C 1.535 0.388 0 CA-C-O 112.667 -3.54 . . . . 0.0 115.458 . . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.44 -8.56 19.63 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 120.646 3.573 . . . . 0.0 120.646 -177.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.46 0.7 OUTLIER -91.63 -58.08 3.84 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 2 CA-C-O 110.645 -4.502 . . . . 0.0 113.473 156.739 . . . . . . . . 4 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.687 HG21 ' HA ' ' A' ' 10' ' ' LEU 0.553 0.3 OUTLIER -48.42 -59.91 3.1 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 130.671 3.588 . . . . 0.0 120.422 179.893 . . . . . . . . 4 4 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.39 0.0 OUTLIER -53.29 -26.77 19.68 Favored 'General case' 0 N--CA 1.472 0.669 1 C-N-CA 141.246 7.819 . . . . 0.0 121.659 155.492 . . . . . . . . 4 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -100.21 -31.96 5.71 Favored Glycine 0 C--N 1.333 0.383 1 CA-C-O 111.685 -4.953 . . . . 0.0 115.894 -160.543 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.484 ' H ' HD11 ' A' ' 16' ' ' ILE 0.56 0.1 OUTLIER -59.11 -31.63 46.27 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 CA-C-O 114.07 -2.871 . . . . 0.0 117.869 147.18 . . . . . . . . 4 4 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -77.91 -38.77 25.08 Favored 'Isoleucine or valine' 0 C--N 1.357 0.898 0 C-N-CA 131.026 3.73 . . . . 0.0 114.873 170.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.6 mtp -66.05 -36.64 83.78 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-O 113.763 -3.018 . . . . 0.0 117.393 161.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 34.5 mtt -67.55 -23.5 65.43 Favored 'General case' 0 C--N 1.346 0.442 0 CA-C-O 113.735 -3.031 . . . . 0.0 116.964 171.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.532 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 1.3 p -82.86 -32.84 27.24 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 113.215 -3.279 . . . . 0.0 118.102 164.162 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.337 5.5 mt -74.68 -28.74 60.95 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 112.03 -3.843 . . . . 0.0 117.033 165.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . 0.507 2.0 tp -68.19 -48.96 71.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 131.332 3.853 . . . . 0.0 118.052 170.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.253 67.5 t -72.91 -17.22 18.09 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 1 C-N-CA 133.968 4.907 . . . . 0.0 110.895 171.875 . . . . . . . . 3 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.548 ' O ' HG11 ' A' ' 28' ' ' VAL 0.721 1.2 mp -86.92 -35.97 9.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 N-CA-C 120.411 3.486 . . . . 0.0 120.411 164.105 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.496 2.5 m-85 -64.42 -31.73 73.06 Favored 'General case' 0 N--CA 1.476 0.851 1 C-N-CA 134.113 4.965 . . . . 0.0 115.553 164.767 . . . . . . . . 3 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -74.43 -10.09 59.23 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 120.154 3.39 . . . . 0.0 120.154 161.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . 0.28 . . -94.98 -28.9 14.91 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 111.787 -3.959 . . . . 0.0 115.976 164.028 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.548 HG11 ' O ' ' A' ' 24' ' ' ILE 0.485 0.7 OUTLIER . . . . . 0 CA--C 1.542 0.648 0 C-N-CA 130.056 3.342 . . . . 0.0 116.845 -176.562 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 109.84 -0.429 . . . . 0.0 109.84 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.312 2.3 pp -132.42 138.2 52.72 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.957 1 C-N-CA 132.563 4.345 . . . . 0.0 110.233 171.811 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.475 13.5 m 51.32 -169.4 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.38 2 C-N-CA 135.67 5.588 . . . . 0.0 123.42 -174.154 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . 0.308 0.3 OUTLIER -71.34 102.45 2.61 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 129.504 3.121 . . . . 0.0 116.302 155.435 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -141.49 137.19 31.92 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 131.399 3.88 . . . . 0.0 116.115 174.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.289 0.0 OUTLIER -52.08 -5.24 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.9 2 C-N-CA 134.563 5.145 . . . . 0.0 121.837 159.369 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.287 2.8 mm? -57.18 -3.69 0.16 Allowed 'General case' 0 CA--C 1.546 0.812 1 C-N-CA 133.119 4.568 . . . . 0.0 118.823 168.525 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -51.06 -12.88 0.13 Allowed 'General case' 0 N--CA 1.478 0.943 1 C-N-CA 134.203 5.001 . . . . 0.0 118.47 148.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.8 m -65.99 -15.01 62.63 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 130.146 3.379 . . . . 0.0 118.567 156.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.502 ' HA ' HG21 ' A' ' 13' ' ' THR 0.346 0.7 OUTLIER -67.18 -43.33 82.45 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 131.689 3.995 . . . . 0.0 115.799 151.378 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.48 -4.16 25.09 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 119.456 3.132 . . . . 0.0 119.456 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.539 0.3 OUTLIER -93.15 -57.12 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 1 CA-C-O 109.184 -5.198 . . . . 0.0 114.773 149.751 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.502 HG21 ' HA ' ' A' ' 10' ' ' LEU 0.589 0.4 OUTLIER -50.18 -60.66 2.75 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 130.136 3.374 . . . . 0.0 119.714 -176.058 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.418 0.0 OUTLIER -49.79 -28.12 5.88 Favored 'General case' 0 N--CA 1.475 0.803 2 C-N-CA 139.608 7.163 . . . . 0.0 122.79 155.317 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -103.56 -32.08 4.65 Favored Glycine 0 CA--C 1.523 0.537 1 CA-C-O 112.925 -4.264 . . . . 0.0 116.695 -159.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.495 ' H ' HD11 ' A' ' 16' ' ' ILE 0.554 0.1 OUTLIER -59.71 -27.79 38.78 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 CA-C-O 114.18 -2.819 . . . . 0.0 117.758 144.76 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.323 0.0 OUTLIER -79.95 -36.05 16.63 Favored 'Isoleucine or valine' 0 C--N 1.359 1.013 0 C-N-CA 131.122 3.769 . . . . 0.0 114.851 169.135 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -36.19 77.6 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-O 112.527 -3.606 . . . . 0.0 115.098 163.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 10.0 mtt -68.89 -26.11 64.95 Favored 'General case' 0 C--N 1.346 0.418 0 CA-C-O 113.749 -3.024 . . . . 0.0 117.828 171.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.561 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 3.3 p -79.92 -32.66 40.16 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 113.435 -3.174 . . . . 0.0 117.616 165.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.338 5.4 mt -76.43 -29.45 57.0 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 111.724 -3.989 . . . . 0.0 116.769 167.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . 0.512 1.8 tp -70.33 -44.79 77.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 130.987 3.715 . . . . 0.0 118.679 171.024 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.263 87.5 t -75.53 -18.25 15.78 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 1 C-N-CA 134.011 4.925 . . . . 0.0 110.613 172.513 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.561 ' HB ' ' O ' ' A' ' 20' ' ' THR 0.716 1.1 mp -87.56 -39.75 13.21 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 N-CA-C 119.638 3.199 . . . . 0.0 119.638 167.02 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.46 3.2 m-30 -59.52 -25.4 64.45 Favored 'General case' 0 N--CA 1.476 0.847 1 C-N-CA 134.499 5.119 . . . . 0.0 117.446 161.802 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -78.73 -18.07 54.85 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 129.439 3.096 . . . . 0.0 118.89 164.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.88 -16.47 22.86 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.876 2.47 . . . . 0.0 117.08 170.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.473 HG11 ' O ' ' A' ' 24' ' ' ILE 0.418 1.0 OUTLIER -101.98 -54.79 6.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 130.893 3.677 . . . . 0.0 116.363 178.605 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -85.53 -57.62 2.99 Favored 'General case' 0 CA--C 1.546 0.807 1 C-N-CA 134.026 4.93 . . . . 0.0 114.507 -173.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.07 -176.49 2.56 Favored 'General case' 0 N--CA 1.479 1.009 1 C-N-CA 134.046 4.938 . . . . 0.0 119.188 153.256 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 87.7 m -73.9 132.06 42.1 Favored 'General case' 0 N--CA 1.483 1.177 1 C-N-CA 132.296 4.238 . . . . 0.0 116.303 172.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -49.01 107.79 0.15 Allowed 'General case' 0 N--CA 1.474 0.747 1 C-N-CA 132.702 4.401 . . . . 0.0 118.49 168.084 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . 0.34 0.3 OUTLIER -95.29 94.8 1.43 Allowed Pre-proline 0 CA--C 1.536 0.429 2 CA-C-N 103.356 -6.293 . . . . 0.0 116.686 161.711 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . 0.288 19.1 Cg_endo -82.77 134.36 7.3 Favored 'Trans proline' 0 C--N 1.361 1.219 0 C-N-CA 125.161 3.907 . . . . 0.0 121.115 148.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? -74.34 -42.57 59.19 Favored 'General case' 0 N--CA 1.477 0.886 1 C-N-CA 134.223 5.009 . . . . 0.0 114.596 173.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . 0.394 0.1 OUTLIER . . . . . 0 C--O 1.25 1.105 0 C-N-CA 127.756 2.422 . . . . 0.0 109.028 -171.302 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 0.401 8.8 ptm . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 115.36 -2.257 . . . . 0.0 116.93 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.384 1.2 pp -126.94 159.63 36.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 130.559 3.544 . . . . 0.0 114.315 -158.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.321 21.4 m -66.19 88.72 0.12 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 128.426 2.691 . . . . 0.0 117.442 170.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -127.59 -177.42 4.09 Favored 'General case' 0 CA--C 1.552 1.049 2 C-N-CA 133.958 4.903 . . . . 0.0 112.425 167.468 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -45.06 146.25 0.88 Allowed 'General case' 0 N--CA 1.482 1.172 2 C-N-CA 134.485 5.114 . . . . 0.0 123.438 150.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.369 4.0 pt20 -51.38 -13.5 0.21 Allowed 'General case' 0 N--CA 1.48 1.066 1 C-N-CA 135.808 5.643 . . . . 0.0 121.463 173.475 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -47.82 8.14 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.034 1 C-N-CA 136.471 5.909 . . . . 0.0 120.858 157.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -62.25 -19.79 63.58 Favored 'General case' 0 N--CA 1.476 0.844 1 C-N-CA 134.013 4.925 . . . . 0.0 118.076 142.025 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.47 -14.38 60.85 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 130.012 3.325 . . . . 0.0 119.447 155.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.585 ' HA ' HG21 ' A' ' 13' ' ' THR 0.322 0.6 OUTLIER -72.13 -48.35 44.32 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-O 113.119 -3.324 . . . . 0.0 115.571 149.385 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.47 -0.12 0.83 Allowed 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 121.367 3.84 . . . . 0.0 121.367 -177.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.363 1.5 mp -112.72 -46.45 5.42 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.801 1 C-N-CA 133.094 4.558 . . . . 0.0 109.507 172.276 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.585 HG21 ' HA ' ' A' ' 10' ' ' LEU 0.527 0.3 OUTLIER -61.12 -62.69 1.66 Allowed 'General case' 0 N--CA 1.477 0.879 1 C-N-CA 132.567 4.347 . . . . 0.0 117.345 178.411 . . . . . . . . 5 4 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.403 0.0 OUTLIER -47.35 -31.31 3.85 Favored 'General case' 0 N--CA 1.47 0.56 1 C-N-CA 139.042 6.937 . . . . 0.0 121.195 151.111 . . . . . . . . 4 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -91.89 -30.67 10.06 Favored Glycine 0 CA--C 1.522 0.498 0 CA-C-O 114.272 -3.516 . . . . 0.0 118.769 -168.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . 0.606 1.0 OUTLIER -61.24 -31.54 50.5 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 CA-C-O 113.223 -3.275 . . . . 0.0 117.929 150.925 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.283 0.0 OUTLIER -81.35 -35.86 14.36 Favored 'Isoleucine or valine' 0 C--N 1.357 0.909 1 C-N-CA 132.313 4.245 . . . . 0.0 114.585 173.035 . . . . . . . . 4 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 4.3 mtp -71.82 -30.01 65.04 Favored 'General case' 0 C--N 1.356 0.879 0 CA-C-O 112.393 -3.67 . . . . 0.0 118.061 159.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 11.9 tpt -71.19 -30.41 66.38 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-O 112.973 -3.394 . . . . 0.0 114.592 170.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.633 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 10.1 p -81.64 -29.99 32.96 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 113.528 -3.13 . . . . 0.0 116.196 176.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.321 10.2 mt -74.5 -30.45 61.82 Favored 'General case' 0 N--CA 1.473 0.707 1 CA-C-O 111.162 -4.256 . . . . 0.0 117.715 159.35 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . 0.517 2.4 tp -72.93 -44.54 57.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 129.869 3.268 . . . . 0.0 118.225 173.034 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.4 t -76.0 -19.7 15.43 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.688 1 C-N-CA 134.655 5.182 . . . . 0.0 110.075 172.397 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.633 ' HB ' ' O ' ' A' ' 20' ' ' THR 0.726 1.1 mp -84.5 -36.91 12.2 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 N-CA-C 120.812 3.634 . . . . 0.0 120.812 162.702 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.548 2.8 m-85 -59.58 -31.73 69.71 Favored 'General case' 0 N--CA 1.476 0.858 1 C-N-CA 133.201 4.6 . . . . 0.0 116.452 163.722 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . 0.255 71.3 t60 -70.95 -15.9 62.62 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 121.006 3.706 . . . . 0.0 121.006 160.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.78 -17.14 17.83 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 128.18 2.592 . . . . 0.0 116.107 171.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.531 HG11 ' O ' ' A' ' 24' ' ' ILE 0.482 0.7 OUTLIER -100.87 -55.93 5.58 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 C-N-CA 130.945 3.698 . . . . 0.0 115.357 176.026 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -76.92 -47.46 20.98 Favored 'General case' 0 CA--C 1.546 0.809 1 C-N-CA 134.193 4.997 . . . . 0.0 116.471 -177.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.67 146.56 23.57 Favored 'General case' 0 N--CA 1.477 0.888 1 C-N-CA 133.516 4.726 . . . . 0.0 115.691 168.597 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.316 32.8 m -75.24 92.57 2.75 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 130.741 3.616 . . . . 0.0 113.442 -156.143 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.3 mtm -150.41 170.33 19.31 Favored 'General case' 0 N--CA 1.477 0.897 1 C-N-CA 135.871 5.668 . . . . 0.0 114.115 -169.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . 0.286 75.6 p -50.76 108.52 1.05 Allowed Pre-proline 0 N--CA 1.479 1.022 1 C-N-CA 133.372 4.669 . . . . 0.0 120.276 175.582 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . 0.429 12.2 Cg_endo -80.55 102.34 1.4 Allowed 'Trans proline' 0 C--N 1.371 1.719 1 N-CA-C 123.736 4.475 . . . . 0.0 123.736 -174.563 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.02 128.46 20.08 Favored 'General case' 0 N--CA 1.484 1.225 1 C-N-CA 134.217 5.007 . . . . 0.0 113.9 177.581 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . 0.587 1.5 m-80 . . . . . 0 C--O 1.249 1.053 1 C-N-CA 137.362 6.265 . . . . 0.0 106.631 133.713 . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 120.857 0.36 . . . . 0.0 110.739 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.434 4.2 pt -117.94 91.7 1.9 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 C-N-CA 129.538 3.135 . . . . 0.0 110.06 175.111 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.323 63.3 m -124.44 -76.23 0.59 Allowed 'General case' 0 N--CA 1.477 0.88 0 CA-C-O 112.909 -3.424 . . . . 0.0 115.437 173.179 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -118.17 95.03 4.72 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 129.438 3.095 . . . . 0.0 110.346 -170.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.359 0.4 OUTLIER -144.78 128.46 17.19 Favored 'General case' 0 N--CA 1.471 0.603 1 C-N-CA 132.32 4.248 . . . . 0.0 114.277 -177.163 . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.299 2.7 pm0 -80.45 1.68 28.23 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 131.662 3.985 . . . . 0.0 120.152 155.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.64 2.91 0.39 Allowed 'General case' 0 CA--C 1.548 0.895 1 C-N-CA 132.665 4.386 . . . . 0.0 119.867 167.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -55.53 -14.29 1.98 Allowed 'General case' 0 N--CA 1.478 0.935 1 C-N-CA 133.088 4.555 . . . . 0.0 118.791 151.256 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 61.5 m -62.75 -11.87 20.4 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 130.556 3.543 . . . . 0.0 120.111 155.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.591 ' HA ' HG21 ' A' ' 13' ' ' THR 0.316 0.6 OUTLIER -72.82 -43.61 62.48 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 130.48 3.512 . . . . 0.0 115.562 151.546 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.53 -6.01 33.13 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 120.299 3.444 . . . . 0.0 120.299 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.504 0.1 OUTLIER -87.17 -62.01 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.815 1 CA-C-O 109.34 -5.124 . . . . 0.0 115.751 146.656 . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.591 HG21 ' HA ' ' A' ' 10' ' ' LEU 0.549 0.4 OUTLIER -44.91 -60.4 2.08 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 124.617 3.371 . . . . 0.0 120.007 -176.188 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.407 0.0 OUTLIER -52.77 -28.02 20.53 Favored 'General case' 0 N--CA 1.471 0.604 2 C-N-CA 140.994 7.718 . . . . 0.0 122.93 157.696 . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -103.3 -24.55 7.86 Favored Glycine 0 CA--C 1.525 0.679 0 C-N-CA 129.801 3.572 . . . . 0.0 119.007 -166.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.513 ' H ' HD11 ' A' ' 16' ' ' ILE 0.533 0.1 OUTLIER -62.2 -32.51 54.94 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 N-CA-C 117.304 2.335 . . . . 0.0 117.304 144.142 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.339 0.1 OUTLIER -74.05 -33.74 36.71 Favored 'Isoleucine or valine' 0 C--N 1.356 0.868 0 C-N-CA 130.78 3.632 . . . . 0.0 115.496 163.05 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.8 ttt -71.76 -36.09 70.28 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-O 111.917 -3.896 . . . . 0.0 115.297 165.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -65.95 -25.88 67.32 Favored 'General case' 0 C--N 1.344 0.365 0 CA-C-O 111.828 -3.939 . . . . 0.0 115.752 172.111 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.594 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 1.9 p -83.95 -33.86 24.56 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 113.669 -3.062 . . . . 0.0 116.476 173.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.0 mp -79.19 -27.14 42.58 Favored 'General case' 0 CA--C 1.55 0.974 1 C-N-CA 132.0 4.12 . . . . 0.0 115.762 169.104 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . 0.551 1.9 tp -70.25 -49.08 57.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 1 C-N-CA 132.075 4.15 . . . . 0.0 118.031 167.797 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.26 99.9 t -73.56 -17.51 17.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.596 1 C-N-CA 134.352 5.061 . . . . 0.0 110.496 174.094 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.594 ' HB ' ' O ' ' A' ' 20' ' ' THR 0.724 1.1 mp -87.53 -36.3 9.48 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 N-CA-C 119.911 3.301 . . . . 0.0 119.911 164.904 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.533 3.1 m-85 -59.08 -36.77 75.67 Favored 'General case' 0 N--CA 1.478 0.974 1 C-N-CA 134.026 4.93 . . . . 0.0 116.024 161.96 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -68.93 -9.33 51.34 Favored 'General case' 0 N--CA 1.469 0.513 1 N-CA-C 121.93 4.048 . . . . 0.0 121.93 161.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -105.36 -21.28 13.26 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 128.491 2.716 . . . . 0.0 116.619 168.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.554 HG11 ' O ' ' A' ' 24' ' ' ILE 0.488 0.8 OUTLIER -97.51 -59.71 3.07 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 C-N-CA 130.35 3.46 . . . . 0.0 115.718 178.882 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.48 -28.2 12.65 Favored 'General case' 0 CA--C 1.546 0.799 1 C-N-CA 134.682 5.193 . . . . 0.0 119.288 167.035 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 p -69.68 172.75 7.0 Favored 'General case' 0 N--CA 1.476 0.837 1 C-N-CA 133.966 4.906 . . . . 0.0 120.267 159.232 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.309 27.1 m -73.71 82.62 1.58 Allowed 'General case' 0 N--CA 1.477 0.897 1 C-N-CA 131.723 4.009 . . . . 0.0 112.716 -175.729 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.68 156.44 46.82 Favored 'General case' 0 CA--C 1.542 0.65 2 C-N-CA 135.875 5.67 . . . . 0.0 111.959 173.149 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . 0.272 92.1 p -55.13 110.5 2.24 Favored Pre-proline 0 CA--C 1.547 0.857 1 C-N-CA 132.938 4.495 . . . . 0.0 119.136 165.717 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . 0.392 2.1 Cg_endo -78.6 108.92 2.53 Favored 'Trans proline' 0 C--N 1.369 1.635 2 N-CA-C 124.022 4.585 . . . . 0.0 124.022 175.758 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.9 tmtm? -124.45 117.38 24.27 Favored 'General case' 0 N--CA 1.477 0.91 1 C-N-CA 134.119 4.968 . . . . 0.0 111.365 178.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . 0.338 0.8 OUTLIER . . . . . 0 C--O 1.249 1.049 0 C-N-CA 129.65 3.18 . . . . 0.0 112.419 154.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 0.27 8.9 mtm . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 113.147 -3.311 . . . . 0.0 115.603 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.391 8.1 pt -120.4 101.75 11.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 129.507 3.123 . . . . 0.0 110.864 -167.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.384 63.1 m -107.72 -82.24 0.55 Allowed 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 112.848 -3.454 . . . . 0.0 115.691 -175.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.63 100.75 5.42 Favored 'General case' 0 N--CA 1.479 1.004 1 C-N-CA 132.343 4.257 . . . . 0.0 108.626 171.445 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -152.55 142.63 22.29 Favored 'General case' 0 N--CA 1.479 1.005 1 C-N-CA 133.52 4.728 . . . . 0.0 113.81 168.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.273 0.0 OUTLIER -67.57 17.65 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.988 1 C-N-CA 133.169 4.587 . . . . 0.0 120.621 156.625 . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -67.77 11.9 0.12 Allowed 'General case' 0 CA--C 1.553 1.088 1 C-N-CA 133.153 4.581 . . . . 0.0 118.051 158.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -66.22 -21.65 66.31 Favored 'General case' 0 N--CA 1.48 1.052 1 C-N-CA 133.968 4.907 . . . . 0.0 117.459 152.215 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.46 -9.44 12.73 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 130.126 3.37 . . . . 0.0 119.658 156.099 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.587 ' HA ' HG21 ' A' ' 13' ' ' THR 0.338 0.7 OUTLIER -76.6 -49.02 17.35 Favored 'General case' 0 C--N 1.344 0.353 0 CA-C-O 112.631 -3.557 . . . . 0.0 115.444 148.911 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.25 -5.76 3.73 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 121.532 3.901 . . . . 0.0 121.532 -177.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.424 1.2 mp -98.55 -60.49 2.71 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.751 2 CA-C-O 110.357 -4.639 . . . . 0.0 109.987 161.6 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.587 HG21 ' HA ' ' A' ' 10' ' ' LEU 0.549 0.4 OUTLIER -46.4 -59.66 2.82 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 131.232 3.813 . . . . 0.0 119.475 179.779 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.464 0.0 OUTLIER -52.43 -31.5 34.74 Favored 'General case' 0 N--CA 1.474 0.745 2 C-N-CA 140.491 7.516 . . . . 0.0 122.762 158.134 . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -102.83 -24.7 7.97 Favored Glycine 0 CA--C 1.524 0.641 0 CA-C-O 113.476 -3.958 . . . . 0.0 118.332 -164.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.453 ' H ' HD11 ' A' ' 16' ' ' ILE 0.557 0.1 OUTLIER -63.14 -29.45 47.25 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.882 0 CA-C-O 114.647 -2.597 . . . . 0.0 117.885 143.001 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.315 0.0 OUTLIER -76.46 -36.25 28.21 Favored 'Isoleucine or valine' 0 C--N 1.357 0.922 0 C-N-CA 130.932 3.693 . . . . 0.0 114.804 166.374 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.8 mtt -69.36 -36.59 77.01 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 112.873 -3.441 . . . . 0.0 117.99 164.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.7 mtt -64.53 -23.61 67.33 Favored 'General case' 0 C--N 1.346 0.419 0 CA-C-O 113.066 -3.35 . . . . 0.0 118.344 165.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.531 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 2.1 p -85.13 -29.19 25.01 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 113.794 -3.003 . . . . 0.0 117.578 167.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.327 5.0 mt -76.45 -30.23 57.26 Favored 'General case' 0 N--CA 1.478 0.929 1 CA-C-O 111.574 -4.06 . . . . 0.0 117.277 163.74 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . 0.507 1.8 tp -70.41 -45.58 74.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 131.363 3.865 . . . . 0.0 118.174 172.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.261 63.4 t -75.48 -18.67 15.84 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 1 C-N-CA 133.912 4.885 . . . . 0.0 110.15 172.451 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.559 ' O ' HG11 ' A' ' 28' ' ' VAL 0.728 1.1 mp -84.82 -41.35 15.81 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 N-CA-C 120.699 3.592 . . . . 0.0 120.699 165.087 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.539 2.8 m-30 -55.07 -34.92 64.01 Favored 'General case' 0 N--CA 1.475 0.798 2 C-N-CA 134.377 5.071 . . . . 0.0 115.71 160.546 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -69.57 -18.31 63.63 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 120.716 3.599 . . . . 0.0 120.716 165.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -101.63 -14.64 17.33 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 129.148 2.979 . . . . 0.0 116.511 172.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.559 HG11 ' O ' ' A' ' 24' ' ' ILE 0.468 0.7 OUTLIER -100.08 -65.94 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 C-N-CA 130.075 3.35 . . . . 0.0 113.582 173.388 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.72 -0.97 0.12 Allowed 'General case' 0 CA--C 1.545 0.774 1 C-N-CA 134.765 5.226 . . . . 0.0 121.266 162.446 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 27.8 t -31.47 138.79 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.71 1 C-N-CA 134.982 5.313 . . . . 0.0 121.41 149.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.391 28.2 m -88.0 84.14 6.99 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 128.409 2.683 . . . . 0.0 110.702 -174.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -145.17 164.6 30.81 Favored 'General case' 0 CA--C 1.542 0.651 2 C-N-CA 136.614 5.965 . . . . 0.0 110.649 -165.855 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . 0.337 0.1 OUTLIER -45.44 119.54 4.42 Favored Pre-proline 0 CA--C 1.549 0.914 0 C-N-CA 131.671 3.988 . . . . 0.0 120.356 150.019 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -65.73 148.78 87.13 Favored 'Trans proline' 0 C--N 1.37 1.683 2 C-N-CA 126.511 4.807 . . . . 0.0 123.757 168.378 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . 0.446 6.0 tptm -72.03 -49.86 33.3 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 130.991 3.716 . . . . 0.0 115.836 -172.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 48.1 t30 . . . . . 0 C--O 1.256 1.447 0 N-CA-C 104.013 -2.588 . . . . 0.0 104.013 176.216 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 0.258 11.4 mtp . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.36 0.2 OUTLIER -135.81 138.22 48.02 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 129.578 3.151 . . . . 0.0 113.321 176.258 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -72.15 33.26 0.06 Allowed 'General case' 0 CA--C 1.546 0.79 1 C-N-CA 132.139 4.175 . . . . 0.0 119.178 162.004 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -138.36 144.03 40.13 Favored 'General case' 0 N--CA 1.477 0.881 1 C-N-CA 132.688 4.395 . . . . 0.0 112.823 -172.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.32 1.2 mp0 -93.53 110.41 21.99 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 129.134 2.974 . . . . 0.0 117.15 172.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.34 8.4 pt20 -107.76 0.74 22.48 Favored 'General case' 0 CA--C 1.546 0.812 1 C-N-CA 134.851 5.261 . . . . 0.0 116.27 -179.134 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -62.93 7.28 0.08 Allowed 'General case' 0 CA--C 1.553 1.061 1 C-N-CA 133.443 4.697 . . . . 0.0 119.521 169.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -58.99 -17.34 23.97 Favored 'General case' 0 N--CA 1.478 0.975 1 C-N-CA 133.606 4.762 . . . . 0.0 118.922 146.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.31 -14.11 62.75 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 129.552 3.141 . . . . 0.0 118.34 159.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.538 ' HA ' HG21 ' A' ' 13' ' ' THR 0.364 0.7 OUTLIER -72.1 -47.46 51.14 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 130.718 3.607 . . . . 0.0 116.789 148.925 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.44 -6.06 6.55 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 121.115 3.746 . . . . 0.0 121.115 -177.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.435 1.3 mp -99.62 -58.67 3.72 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.775 2 CA-C-O 110.111 -4.757 . . . . 0.0 110.073 162.001 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.538 HG21 ' HA ' ' A' ' 10' ' ' LEU 0.555 0.3 OUTLIER -47.98 -60.24 2.75 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 130.762 3.625 . . . . 0.0 119.272 178.958 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.395 0.0 OUTLIER -53.54 -29.0 34.71 Favored 'General case' 0 N--CA 1.475 0.787 2 C-N-CA 140.353 7.461 . . . . 0.0 122.081 157.844 . . . . . . . . 4 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -95.98 -34.54 5.9 Favored Glycine 0 CA--C 1.52 0.35 1 CA-C-O 109.942 -5.921 . . . . 0.0 116.083 -164.155 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.436 ' H ' HD11 ' A' ' 16' ' ' ILE 0.549 0.1 OUTLIER -62.06 -26.15 39.3 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 CA-C-O 113.743 -3.027 . . . . 0.0 117.231 150.586 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.26 0.0 OUTLIER -80.16 -40.71 20.44 Favored 'Isoleucine or valine' 0 C--N 1.361 1.073 1 C-N-CA 132.041 4.136 . . . . 0.0 115.337 169.556 . . . . . . . . 4 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.65 -36.28 82.33 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 129.842 3.257 . . . . 0.0 117.454 161.141 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 51.1 mtt -72.55 -23.07 60.93 Favored 'General case' 0 C--N 1.345 0.409 0 C-N-CA 130.292 3.437 . . . . 0.0 115.313 174.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.523 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 2.6 p -81.99 -32.85 30.44 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 113.135 -3.317 . . . . 0.0 117.951 162.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.268 3.6 mt -76.81 -26.62 54.6 Favored 'General case' 0 N--CA 1.479 0.989 1 C-N-CA 132.09 4.156 . . . . 0.0 116.728 168.519 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . 0.485 2.3 tp -71.2 -46.02 68.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 1 C-N-CA 131.902 4.081 . . . . 0.0 117.867 169.49 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.258 84.8 t -73.78 -19.49 17.73 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 1 C-N-CA 133.462 4.705 . . . . 0.0 110.889 171.361 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.523 ' HB ' ' O ' ' A' ' 20' ' ' THR 0.747 1.1 mp -85.02 -36.94 11.84 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 N-CA-C 120.877 3.658 . . . . 0.0 120.877 164.907 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.512 2.7 m-85 -63.57 -29.2 70.49 Favored 'General case' 0 N--CA 1.474 0.749 1 C-N-CA 133.54 4.736 . . . . 0.0 117.113 163.756 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -72.96 -14.19 61.4 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 120.604 3.557 . . . . 0.0 120.604 160.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.75 -20.52 18.17 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 115.23 -2.319 . . . . 0.0 117.102 170.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.495 HG11 ' O ' ' A' ' 24' ' ' ILE 0.442 1.0 OUTLIER -99.96 -57.71 4.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 C-N-CA 130.487 3.515 . . . . 0.0 115.795 178.738 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.27 -54.48 6.42 Favored 'General case' 0 CA--C 1.545 0.773 1 C-N-CA 134.289 5.036 . . . . 0.0 115.511 -178.739 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.49 152.11 27.48 Favored 'General case' 0 N--CA 1.478 0.933 1 C-N-CA 133.037 4.535 . . . . 0.0 119.12 161.127 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.297 61.1 m -81.87 89.73 6.37 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 131.483 3.913 . . . . 0.0 112.965 -165.027 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.7 mtp -137.22 -175.02 3.91 Favored 'General case' 0 N--CA 1.479 1.0 1 C-N-CA 136.005 5.722 . . . . 0.0 114.29 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.9 123.43 25.43 Favored Pre-proline 0 N--CA 1.482 1.148 1 C-N-CA 132.03 4.132 . . . . 0.0 121.253 156.807 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . 0.328 8.1 Cg_endo -84.27 130.39 4.67 Favored 'Trans proline' 0 C--N 1.368 1.591 2 C-N-CA 126.203 4.602 . . . . 0.0 123.804 162.676 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.77 -53.3 2.66 Favored 'General case' 0 N--CA 1.48 1.046 2 C-N-CA 133.914 4.886 . . . . 0.0 113.638 -178.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . 0.282 39.6 m-80 . . . . . 0 C--O 1.251 1.15 0 CA-C-N 123.42 2.827 . . . . 0.0 112.899 -154.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.4 mtt . . . . . 0 N--CA 1.493 1.721 0 N-CA-C 115.342 1.608 . . . . 0.0 115.342 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.257 0.3 OUTLIER -88.19 146.64 5.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 1 C-N-CA 133.159 4.584 . . . . 0.0 116.176 167.328 . . . . . . . . 4 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.366 0.3 OUTLIER -41.25 89.47 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.639 1 C-N-CA 133.503 4.721 . . . . 0.0 118.539 156.706 . . . . . . . . 4 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -136.16 122.88 21.08 Favored 'General case' 0 CA--C 1.543 0.703 1 C-N-CA 132.465 4.306 . . . . 0.0 113.665 -169.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -109.56 161.51 15.28 Favored 'General case' 0 N--CA 1.48 1.072 1 C-N-CA 131.777 4.031 . . . . 0.0 117.697 162.081 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.493 2.2 mt-30 81.6 23.01 0.28 Allowed 'General case' 0 N--CA 1.491 1.576 1 C-N-CA 137.24 6.216 . . . . 0.0 119.46 -164.235 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.333 1.2 mm? -74.81 -2.52 27.03 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 116.565 -3.834 . . . . 0.0 118.247 -176.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -51.2 -13.7 0.2 Allowed 'General case' 0 N--CA 1.476 0.841 1 C-N-CA 134.61 5.164 . . . . 0.0 120.152 148.083 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.1 m -65.76 -14.0 60.48 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 129.02 2.928 . . . . 0.0 118.456 154.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.577 ' HA ' HG21 ' A' ' 13' ' ' THR 0.365 0.4 OUTLIER -71.5 -46.75 58.89 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 130.112 3.365 . . . . 0.0 115.786 151.015 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.25 -5.29 6.68 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 120.549 3.537 . . . . 0.0 120.549 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.461 0.7 OUTLIER -95.54 -60.7 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 2 CA-C-O 110.143 -4.741 . . . . 0.0 113.4 157.522 . . . . . . . . 4 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.577 HG21 ' HA ' ' A' ' 10' ' ' LEU 0.546 0.4 OUTLIER -46.99 -57.58 4.85 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 130.747 3.619 . . . . 0.0 120.691 178.972 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.431 0.0 OUTLIER -55.03 -28.73 54.42 Favored 'General case' 0 N--CA 1.474 0.752 2 C-N-CA 140.826 7.65 . . . . 0.0 122.095 157.413 . . . . . . . . 4 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -103.43 -24.75 7.7 Favored Glycine 0 CA--C 1.524 0.596 0 CA-C-O 114.131 -3.594 . . . . 0.0 117.869 -162.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.504 ' H ' HD11 ' A' ' 16' ' ' ILE 0.528 0.1 OUTLIER -61.07 -30.02 46.88 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 N-CA-C 117.605 2.446 . . . . 0.0 117.605 143.616 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.298 0.0 OUTLIER -78.57 -34.77 18.14 Favored 'Isoleucine or valine' 0 C--N 1.357 0.895 0 C-N-CA 131.076 3.75 . . . . 0.0 115.114 167.666 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -65.6 -37.58 87.03 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-O 112.183 -3.77 . . . . 0.0 116.174 161.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.0 ttp -69.81 -25.57 63.84 Favored 'General case' 0 C--N 1.347 0.47 0 CA-C-O 112.84 -3.457 . . . . 0.0 114.422 175.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.552 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 1.9 p -83.94 -31.62 25.51 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 113.619 -3.086 . . . . 0.0 116.707 170.117 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.377 5.6 mt -72.85 -34.15 66.59 Favored 'General case' 0 N--CA 1.478 0.958 1 CA-C-O 110.438 -4.601 . . . . 0.0 117.161 162.391 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . 0.564 2.0 tp -67.3 -45.96 84.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 131.45 3.9 . . . . 0.0 118.231 173.307 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.278 85.4 t -75.54 -20.63 15.96 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 1 C-N-CA 134.265 5.026 . . . . 0.0 110.479 174.628 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.563 ' O ' HG11 ' A' ' 28' ' ' VAL 0.726 1.2 mp -83.05 -41.15 16.91 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 N-CA-C 120.437 3.495 . . . . 0.0 120.437 165.148 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.487 2.4 m-85 -59.67 -30.42 68.75 Favored 'General case' 0 N--CA 1.474 0.76 1 C-N-CA 134.252 5.021 . . . . 0.0 116.965 160.769 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -76.89 -4.76 45.42 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 120.715 3.598 . . . . 0.0 120.715 159.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . 0.309 . . -97.65 -38.88 9.35 Favored 'General case' 0 CA--C 1.534 0.359 1 CA-C-O 109.542 -5.027 . . . . 0.0 115.046 162.634 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.563 HG11 ' O ' ' A' ' 24' ' ' ILE 0.482 0.8 OUTLIER -85.8 -56.05 5.9 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 C-N-CA 129.671 3.188 . . . . 0.0 117.25 -176.926 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -63.22 -45.32 92.18 Favored 'General case' 0 N--CA 1.476 0.862 1 C-N-CA 134.571 5.148 . . . . 0.0 116.524 -179.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.5 t -55.28 156.56 4.16 Favored 'General case' 0 N--CA 1.476 0.868 2 C-N-CA 135.875 5.67 . . . . 0.0 122.056 152.213 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.461 4.3 t -56.19 78.36 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.794 1 C-N-CA 133.662 4.785 . . . . 0.0 118.743 178.26 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.69 178.94 4.79 Favored 'General case' 0 N--CA 1.476 0.854 1 C-N-CA 136.095 5.758 . . . . 0.0 112.987 174.117 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.69 112.37 4.43 Favored Pre-proline 0 N--CA 1.477 0.897 0 C-N-CA 131.236 3.814 . . . . 0.0 118.397 157.233 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . 0.434 3.3 Cg_exo -76.83 102.74 1.65 Allowed 'Trans proline' 0 C--N 1.368 1.592 1 N-CA-C 123.056 4.214 . . . . 0.0 123.056 173.732 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . 0.408 3.2 tptt -104.45 117.61 34.57 Favored 'General case' 0 N--CA 1.475 0.781 2 C-N-CA 134.7 5.2 . . . . 0.0 116.672 -168.144 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . 0.355 8.5 p30 . . . . . 0 C--O 1.251 1.175 0 N-CA-C 121.37 3.841 . . . . 0.0 121.37 163.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 0.331 5.4 mpp? . . . . . 0 N--CA 1.488 1.45 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.329 2.7 pp -135.14 114.63 17.2 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 1 C-N-CA 133.626 4.77 . . . . 0.0 110.476 -174.77 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.62 -58.84 0.77 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 129.755 3.222 . . . . 0.0 112.932 163.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.2 p30 -118.98 146.86 44.66 Favored 'General case' 0 N--CA 1.479 0.98 1 C-N-CA 134.082 4.953 . . . . 0.0 113.754 -172.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -75.76 102.12 5.32 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 129.282 3.033 . . . . 0.0 113.069 -172.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.285 0.4 OUTLIER -101.09 13.54 34.85 Favored 'General case' 0 CA--C 1.544 0.714 1 C-N-CA 132.543 4.337 . . . . 0.0 118.095 -177.251 . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -70.92 10.0 0.6 Allowed 'General case' 0 CA--C 1.552 1.03 1 C-N-CA 133.232 4.613 . . . . 0.0 116.529 163.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -63.74 -22.0 66.69 Favored 'General case' 0 N--CA 1.479 1.014 1 C-N-CA 133.727 4.811 . . . . 0.0 118.011 147.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.2 m -68.21 -14.37 62.93 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 128.824 2.85 . . . . 0.0 117.644 162.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.564 ' HA ' HG21 ' A' ' 13' ' ' THR 0.349 0.9 OUTLIER -71.65 -48.08 50.1 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 112.106 -3.807 . . . . 0.0 116.303 148.672 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.69 -3.75 3.55 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 121.677 3.954 . . . . 0.0 121.677 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.438 1.0 OUTLIER -99.63 -61.36 2.36 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 2 CA-C-O 110.172 -4.728 . . . . 0.0 109.603 160.698 . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.564 HG21 ' HA ' ' A' ' 10' ' ' LEU 0.568 0.4 OUTLIER -45.47 -59.29 2.79 Favored 'General case' 0 N--CA 1.48 1.067 1 C-N-CA 131.919 4.088 . . . . 0.0 120.406 -179.875 . . . . . . . . 5 4 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.453 0.0 OUTLIER -53.63 -32.69 52.3 Favored 'General case' 0 N--CA 1.473 0.679 2 C-N-CA 140.687 7.595 . . . . 0.0 122.16 159.174 . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -101.1 -23.2 9.91 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 130.438 3.875 . . . . 0.0 119.214 -166.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.471 ' H ' HD11 ' A' ' 16' ' ' ILE 0.558 0.1 OUTLIER -63.79 -28.75 45.61 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 CA-C-O 114.7 -2.571 . . . . 0.0 117.658 143.179 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.305 0.0 OUTLIER -78.85 -32.27 15.57 Favored 'Isoleucine or valine' 0 C--N 1.358 0.968 0 C-N-CA 131.666 3.986 . . . . 0.0 114.565 166.29 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.1 ttt -70.73 -36.38 73.15 Favored 'General case' 0 C--N 1.357 0.917 0 CA-C-O 112.913 -3.422 . . . . 0.0 114.886 164.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . 0.343 4.5 mtt -73.52 -20.59 60.62 Favored 'General case' 0 C--N 1.344 0.364 0 CA-C-O 113.666 -3.064 . . . . 0.0 117.288 175.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.552 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 3.1 p -81.25 -31.53 33.73 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 113.928 -2.939 . . . . 0.0 118.911 162.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.304 5.3 mt -78.7 -30.25 45.95 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 131.436 3.894 . . . . 0.0 117.041 165.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . 0.518 2.2 tp -68.41 -43.42 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 1 C-N-CA 131.709 4.004 . . . . 0.0 118.225 169.738 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.274 87.9 t -79.55 -17.57 12.94 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.681 1 C-N-CA 134.084 4.954 . . . . 0.0 110.107 173.981 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.566 ' O ' HG11 ' A' ' 28' ' ' VAL 0.716 1.1 mp -87.5 -36.62 9.92 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 N-CA-C 120.206 3.41 . . . . 0.0 120.206 165.203 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.509 2.8 m-85 -59.43 -35.44 74.02 Favored 'General case' 0 N--CA 1.478 0.966 1 C-N-CA 134.426 5.09 . . . . 0.0 115.987 160.367 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -71.02 -7.1 44.0 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 120.911 3.671 . . . . 0.0 120.911 162.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -104.05 -25.29 13.04 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 114.362 -2.733 . . . . 0.0 116.622 166.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.566 HG11 ' O ' ' A' ' 24' ' ' ILE 0.504 0.7 OUTLIER -93.81 -58.6 3.57 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 C-N-CA 129.938 3.295 . . . . 0.0 116.147 179.68 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.73 -29.96 20.56 Favored 'General case' 0 CA--C 1.547 0.84 1 C-N-CA 134.723 5.209 . . . . 0.0 119.239 168.087 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.75 176.51 3.56 Favored 'General case' 0 N--CA 1.477 0.923 1 C-N-CA 135.363 5.465 . . . . 0.0 120.275 160.816 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.324 71.6 m -74.01 85.08 1.78 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 131.665 3.986 . . . . 0.0 112.338 -173.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 3.4 mtt -142.81 164.95 28.7 Favored 'General case' 0 N--CA 1.476 0.833 1 C-N-CA 135.155 5.382 . . . . 0.0 112.758 179.011 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.6 m -81.23 107.16 7.06 Favored Pre-proline 0 N--CA 1.475 0.782 0 N-CA-C 118.949 2.944 . . . . 0.0 118.949 146.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -79.83 144.65 17.36 Favored 'Trans proline' 0 C--N 1.366 1.464 2 C-N-CA 127.101 5.2 . . . . 0.0 124.505 154.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.17 -52.03 4.74 Favored 'General case' 0 N--CA 1.483 1.193 1 C-N-CA 135.991 5.716 . . . . 0.0 114.375 173.584 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . 0.439 2.6 m-80 . . . . . 0 C--O 1.253 1.238 0 CA-C-N 122.213 2.279 . . . . 0.0 110.185 -164.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.405 1.7 pp -125.13 120.77 59.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 131.151 3.781 . . . . 0.0 114.063 172.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.72 160.21 30.31 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 130.914 3.685 . . . . 0.0 117.073 165.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -66.85 90.87 0.18 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 130.575 3.55 . . . . 0.0 116.149 152.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -151.77 149.86 29.51 Favored 'General case' 0 N--CA 1.475 0.824 1 C-N-CA 134.683 5.193 . . . . 0.0 113.969 178.382 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.267 0.4 OUTLIER -44.48 -17.32 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.908 2 C-N-CA 134.091 4.956 . . . . 0.0 123.088 156.589 . . . . . . . . 4 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -51.61 -0.95 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.828 1 C-N-CA 133.915 4.886 . . . . 0.0 120.083 173.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -47.3 -17.53 0.08 Allowed 'General case' 0 N--CA 1.476 0.864 1 C-N-CA 134.298 5.039 . . . . 0.0 118.885 143.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.425 0.3 OUTLIER -67.73 -0.92 4.51 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 119.676 3.213 . . . . 0.0 119.676 155.093 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.581 ' HA ' HG21 ' A' ' 13' ' ' THR 0.335 0.2 OUTLIER -76.41 -45.62 30.8 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 130.489 3.515 . . . . 0.0 116.389 143.513 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.65 -2.86 10.06 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 120.271 3.434 . . . . 0.0 120.271 -178.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.54 0.2 OUTLIER -88.64 -60.69 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 1 CA-C-O 109.483 -5.056 . . . . 0.0 115.971 146.568 . . . . . . . . 4 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.581 HG21 ' HA ' ' A' ' 10' ' ' LEU 0.553 0.3 OUTLIER -45.33 -59.89 2.43 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 130.486 3.514 . . . . 0.0 120.425 -178.153 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.432 0.0 OUTLIER -53.51 -30.36 41.02 Favored 'General case' 0 N--CA 1.473 0.679 2 C-N-CA 140.565 7.546 . . . . 0.0 122.187 157.443 . . . . . . . . 4 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -98.31 -27.36 8.73 Favored Glycine 0 CA--C 1.522 0.531 0 CA-C-O 113.503 -3.943 . . . . 0.0 118.003 -165.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.496 ' H ' HD11 ' A' ' 16' ' ' ILE 0.529 0.1 OUTLIER -63.1 -31.25 51.95 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.883 0 CA-C-O 115.048 -2.406 . . . . 0.0 117.019 147.954 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.294 0.0 OUTLIER -75.02 -33.73 30.13 Favored 'Isoleucine or valine' 0 C--N 1.359 0.988 0 C-N-CA 131.664 3.986 . . . . 0.0 114.958 166.126 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.4 tmm? -75.4 -33.66 61.0 Favored 'General case' 0 C--N 1.354 0.771 1 CA-C-O 111.686 -4.007 . . . . 0.0 115.545 167.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 13.4 mmt -66.2 -27.2 67.81 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-O 113.718 -3.039 . . . . 0.0 116.829 166.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.559 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 3.0 p -81.53 -31.74 32.63 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 113.369 -3.205 . . . . 0.0 117.443 169.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.309 5.5 mt -75.76 -28.33 58.42 Favored 'General case' 0 N--CA 1.475 0.806 1 C-N-CA 131.894 4.077 . . . . 0.0 116.987 164.623 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . 0.512 2.0 tp -71.87 -45.6 64.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 130.329 3.452 . . . . 0.0 117.252 171.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.269 90.7 t -74.71 -19.09 16.62 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 1 C-N-CA 133.478 4.711 . . . . 0.0 110.144 173.751 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.559 ' HB ' ' O ' ' A' ' 20' ' ' THR 0.735 1.1 mp -84.29 -39.76 14.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 N-CA-C 120.862 3.652 . . . . 0.0 120.862 165.756 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.478 2.7 m-85 -61.59 -27.5 68.68 Favored 'General case' 0 N--CA 1.476 0.867 1 C-N-CA 134.43 5.092 . . . . 0.0 117.197 161.864 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -74.93 -13.03 60.48 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 120.707 3.595 . . . . 0.0 120.707 159.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.21 -18.55 17.57 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 127.733 2.413 . . . . 0.0 117.07 168.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.525 HG11 ' O ' ' A' ' 24' ' ' ILE 0.461 0.9 OUTLIER -100.35 -56.25 5.35 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 130.269 3.427 . . . . 0.0 115.341 179.452 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -79.06 -58.37 3.27 Favored 'General case' 0 CA--C 1.542 0.666 1 C-N-CA 134.053 4.941 . . . . 0.0 114.514 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.88 150.27 32.23 Favored 'General case' 0 N--CA 1.475 0.783 1 C-N-CA 133.091 4.556 . . . . 0.0 119.542 161.131 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.426 3.8 t -53.6 94.54 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.691 1 C-N-CA 133.685 4.794 . . . . 0.0 118.917 -178.204 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.12 129.51 55.08 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 109.596 -3.457 . . . . 0.0 113.923 162.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.6 m -92.98 96.65 1.45 Allowed Pre-proline 0 CA--C 1.547 0.86 0 CA-C-N 110.778 -2.919 . . . . 0.0 113.325 145.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . 0.449 9.9 Cg_endo -82.04 -24.77 3.76 Favored 'Trans proline' 0 C--N 1.368 1.557 1 N-CA-C 124.691 4.843 . . . . 0.0 124.691 167.314 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -78.04 -43.66 28.69 Favored 'General case' 0 N--CA 1.479 0.988 1 C-N-CA 132.079 4.152 . . . . 0.0 112.325 162.172 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 t30 . . . . . 0 C--O 1.255 1.37 0 CA-C-N 122.348 2.34 . . . . 0.0 111.754 -177.47 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 ttt . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 121.225 0.536 . . . . 0.0 112.009 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.34 0.0 OUTLIER -118.4 112.76 39.54 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 1 C-N-CA 131.934 4.094 . . . . 0.0 113.102 174.226 . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.09 152.97 43.66 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 130.144 3.378 . . . . 0.0 118.367 168.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.76 96.46 5.6 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 130.922 3.689 . . . . 0.0 112.879 163.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -151.58 145.36 25.07 Favored 'General case' 0 N--CA 1.478 0.933 1 C-N-CA 134.465 5.106 . . . . 0.0 113.7 -177.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.258 2.6 pt20 -49.4 -10.38 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.069 2 C-N-CA 134.809 5.243 . . . . 0.0 122.545 158.622 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -59.34 6.23 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.946 1 C-N-CA 134.414 5.086 . . . . 0.0 118.764 172.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -54.79 -25.32 27.38 Favored 'General case' 0 N--CA 1.475 0.788 1 C-N-CA 133.144 4.578 . . . . 0.0 118.912 145.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.4 m -67.47 -22.04 65.49 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 129.567 3.147 . . . . 0.0 117.998 161.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.587 ' HA ' HG21 ' A' ' 13' ' ' THR 0.334 1.3 tt -72.97 -46.72 50.71 Favored 'General case' 0 C--N 1.345 0.375 0 CA-C-O 112.419 -3.657 . . . . 0.0 115.518 152.132 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.39 -8.35 5.9 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 121.224 3.786 . . . . 0.0 121.224 178.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.487 0.9 OUTLIER -94.38 -58.69 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 2 CA-C-O 110.18 -4.724 . . . . 0.0 112.943 158.868 . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.587 HG21 ' HA ' ' A' ' 10' ' ' LEU 0.563 0.4 OUTLIER -46.43 -60.23 2.47 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 131.347 3.859 . . . . 0.0 119.766 178.126 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.434 0.0 OUTLIER -53.63 -30.23 41.85 Favored 'General case' 0 N--CA 1.472 0.658 2 C-N-CA 140.173 7.389 . . . . 0.0 122.781 157.471 . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -102.38 -22.19 9.99 Favored Glycine 0 CA--C 1.525 0.685 0 CA-C-O 113.7 -3.834 . . . . 0.0 118.83 -165.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.489 ' H ' HD11 ' A' ' 16' ' ' ILE 0.549 0.1 OUTLIER -62.24 -31.73 52.49 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-O 114.749 -2.548 . . . . 0.0 117.848 142.822 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.291 0.0 OUTLIER -75.99 -33.45 25.05 Favored 'Isoleucine or valine' 0 C--N 1.357 0.932 0 C-N-CA 131.176 3.79 . . . . 0.0 115.686 167.243 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.46 -33.96 60.89 Favored 'General case' 0 C--N 1.355 0.817 1 CA-C-O 111.66 -4.019 . . . . 0.0 115.487 165.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 8.5 mmm -65.82 -24.78 66.98 Favored 'General case' 0 C--N 1.347 0.496 0 CA-C-O 113.285 -3.245 . . . . 0.0 117.341 167.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.546 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 4.3 p -83.25 -34.69 25.76 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 112.83 -3.462 . . . . 0.0 117.218 169.009 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.329 6.4 mt -73.27 -29.59 62.84 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 131.406 3.882 . . . . 0.0 117.239 164.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . 0.534 1.7 tp -68.52 -47.04 79.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 130.63 3.572 . . . . 0.0 117.695 170.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.262 87.6 t -76.09 -17.11 15.31 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 1 C-N-CA 134.164 4.985 . . . . 0.0 110.581 174.113 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.546 ' HB ' ' O ' ' A' ' 20' ' ' THR 0.723 1.1 mp -87.85 -36.94 10.12 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 N-CA-C 120.455 3.502 . . . . 0.0 120.455 165.135 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.504 2.5 m-85 -59.56 -31.56 69.55 Favored 'General case' 0 N--CA 1.477 0.902 1 C-N-CA 134.161 4.984 . . . . 0.0 115.592 161.433 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -74.07 -10.68 59.88 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 130.34 3.456 . . . . 0.0 120.24 163.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -101.24 -16.4 16.99 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 127.511 2.325 . . . . 0.0 116.504 167.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.516 HG11 ' O ' ' A' ' 24' ' ' ILE 0.51 0.6 OUTLIER -104.7 -59.35 3.43 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 C-N-CA 130.545 3.538 . . . . 0.0 116.137 179.529 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -70.54 -49.73 45.06 Favored 'General case' 0 N--CA 1.475 0.805 1 C-N-CA 134.491 5.117 . . . . 0.0 116.725 -173.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.8 t -53.49 171.68 0.08 Allowed 'General case' 0 N--CA 1.476 0.825 1 C-N-CA 134.277 5.031 . . . . 0.0 119.896 147.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.8 m -61.17 103.76 0.32 Allowed 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 130.958 3.703 . . . . 0.0 112.115 170.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . 0.274 0.0 OUTLIER -57.03 137.25 55.97 Favored 'General case' 0 CA--C 1.537 0.45 2 C-N-CA 133.227 4.611 . . . . 0.0 116.258 169.034 . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . 0.307 51.0 m -103.51 86.59 1.17 Allowed Pre-proline 0 CA--C 1.542 0.651 0 C-N-CA 126.509 1.924 . . . . 0.0 112.827 169.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . 0.371 5.6 Cg_endo -82.64 -22.02 4.76 Favored 'Trans proline' 0 C--N 1.366 1.5 0 N-CA-C 121.827 3.741 . . . . 0.0 121.827 164.243 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.76 96.98 4.37 Favored 'General case' 0 N--CA 1.474 0.74 1 C-N-CA 132.327 4.251 . . . . 0.0 111.395 151.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.3 t30 . . . . . 0 C--O 1.251 1.161 0 CA-C-N 110.368 -3.105 . . . . 0.0 109.961 147.981 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 113.886 -2.959 . . . . 0.0 114.305 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.252 0.3 OUTLIER -130.09 141.36 46.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 1 C-N-CA 132.687 4.395 . . . . 0.0 109.558 -173.032 . . . . . . . . 4 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 t -79.67 -35.7 38.8 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 130.593 3.557 . . . . 0.0 116.369 173.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -100.2 127.15 46.53 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 130.91 3.684 . . . . 0.0 114.879 174.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.435 1.0 OUTLIER -86.91 101.92 13.85 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 129.46 3.104 . . . . 0.0 116.799 -169.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.379 0.3 OUTLIER -99.28 -10.03 22.88 Favored 'General case' 0 N--CA 1.475 0.8 1 C-N-CA 133.273 4.629 . . . . 0.0 117.863 -177.018 . . . . . . . . 4 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -67.25 5.69 0.69 Allowed 'General case' 0 CA--C 1.552 1.029 1 C-N-CA 133.23 4.612 . . . . 0.0 118.668 178.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -52.98 -16.46 1.06 Allowed 'General case' 0 N--CA 1.476 0.867 1 C-N-CA 134.616 5.166 . . . . 0.0 119.707 142.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.0 m -73.65 -12.94 60.9 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 130.686 3.594 . . . . 0.0 117.106 162.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.553 ' HA ' HG21 ' A' ' 13' ' ' THR 0.347 0.7 OUTLIER -72.99 -44.71 60.74 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 131.313 3.845 . . . . 0.0 116.569 146.487 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.74 -3.74 10.24 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 120.531 3.53 . . . . 0.0 120.531 178.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.514 0.2 OUTLIER -92.36 -56.81 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 1 CA-C-O 109.726 -4.94 . . . . 0.0 116.151 148.223 . . . . . . . . 4 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.553 HG21 ' HA ' ' A' ' 10' ' ' LEU 0.561 0.4 OUTLIER -48.84 -59.71 3.35 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 120.372 3.471 . . . . 0.0 120.372 -177.728 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.422 0.0 OUTLIER -51.63 -29.0 16.01 Favored 'General case' 0 N--CA 1.472 0.666 2 C-N-CA 140.441 7.496 . . . . 0.0 122.408 155.138 . . . . . . . . 4 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -101.83 -23.87 9.02 Favored Glycine 0 CA--C 1.522 0.518 1 CA-C-O 112.899 -4.278 . . . . 0.0 117.964 -163.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.516 ' H ' HD11 ' A' ' 16' ' ' ILE 0.547 0.1 OUTLIER -63.11 -30.85 50.69 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 N-CA-C 117.968 2.581 . . . . 0.0 117.968 144.923 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.276 0.0 OUTLIER -77.56 -37.25 24.35 Favored 'Isoleucine or valine' 0 C--N 1.358 0.971 0 C-N-CA 131.394 3.878 . . . . 0.0 115.271 169.328 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -32.0 71.63 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-O 112.412 -3.661 . . . . 0.0 118.37 161.277 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 28.0 mtt -73.52 -22.03 60.22 Favored 'General case' 0 C--N 1.344 0.353 0 CA-C-O 114.086 -2.864 . . . . 0.0 117.253 170.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.526 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 4.7 p -82.98 -30.55 28.14 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 114.183 -2.818 . . . . 0.0 118.442 163.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.288 4.5 mt -78.19 -28.35 48.11 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 131.577 3.951 . . . . 0.0 116.744 166.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . 0.49 1.8 tp -70.05 -44.04 78.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 131.408 3.883 . . . . 0.0 117.806 170.096 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.268 98.7 t -77.52 -17.05 14.28 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 1 C-N-CA 133.62 4.768 . . . . 0.0 110.696 173.67 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.526 ' HB ' ' O ' ' A' ' 20' ' ' THR 0.724 1.2 mp -87.88 -36.61 9.69 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 N-CA-C 120.173 3.397 . . . . 0.0 120.173 165.648 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.479 3.2 m-30 -63.57 -28.34 69.87 Favored 'General case' 0 N--CA 1.478 0.949 1 C-N-CA 134.211 5.005 . . . . 0.0 116.483 163.01 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -73.62 -13.07 60.94 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 120.621 3.563 . . . . 0.0 120.621 160.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.82 -17.3 17.73 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 128.198 2.599 . . . . 0.0 116.996 170.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.51 HG11 ' O ' ' A' ' 24' ' ' ILE 0.477 0.8 OUTLIER -101.97 -55.87 5.59 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 C-N-CA 130.205 3.402 . . . . 0.0 115.525 178.453 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -83.68 -53.21 5.81 Favored 'General case' 0 CA--C 1.544 0.732 1 C-N-CA 134.249 5.02 . . . . 0.0 114.773 -175.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 m -82.01 151.98 26.89 Favored 'General case' 0 N--CA 1.475 0.804 1 C-N-CA 133.0 4.52 . . . . 0.0 119.514 158.264 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.437 1.0 OUTLIER -60.49 109.93 1.14 Allowed 'General case' 0 N--CA 1.474 0.757 1 C-N-CA 133.295 4.638 . . . . 0.0 120.309 177.135 . . . . . . . . 4 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -111.68 163.93 13.59 Favored 'General case' 0 N--CA 1.475 0.818 1 C-N-CA 131.757 4.023 . . . . 0.0 116.984 168.131 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . 0.294 1.1 p -84.2 95.1 0.31 Allowed Pre-proline 0 CA--C 1.545 0.772 0 C-N-CA 129.072 2.949 . . . . 0.0 115.336 151.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . 0.488 9.5 Cg_endo -85.03 88.9 0.88 Allowed 'Trans proline' 0 C--N 1.369 1.617 0 N-CA-C 122.095 3.844 . . . . 0.0 122.095 164.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . 0.44 0.0 OUTLIER -114.66 -26.95 7.65 Favored 'General case' 0 CA--C 1.543 0.677 2 CA-C-N 105.93 -5.123 . . . . 0.0 116.754 -171.454 . . . . . . . . 4 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 . . . . . 0 C--O 1.249 1.067 0 C-N-CA 129.018 2.927 . . . . 0.0 114.841 -161.169 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 114.703 -2.57 . . . . 0.0 115.391 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.387 5.6 tt -161.84 130.62 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 130.676 3.59 . . . . 0.0 108.96 -150.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.364 1.0 OUTLIER -76.49 38.44 0.19 Allowed 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 131.114 3.765 . . . . 0.0 116.949 171.037 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -127.77 162.6 26.25 Favored 'General case' 0 N--CA 1.48 1.031 1 C-N-CA 136.526 5.93 . . . . 0.0 113.887 -172.416 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -79.05 108.85 12.84 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 131.274 3.83 . . . . 0.0 113.61 161.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.321 0.6 OUTLIER -108.95 18.78 20.31 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 131.452 3.901 . . . . 0.0 118.174 176.324 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -72.19 9.41 0.99 Allowed 'General case' 0 CA--C 1.551 1.008 1 C-N-CA 132.605 4.362 . . . . 0.0 116.951 167.345 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -63.32 -22.67 67.02 Favored 'General case' 0 N--CA 1.477 0.897 1 C-N-CA 134.022 4.929 . . . . 0.0 117.767 150.209 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.7 m -70.15 -15.11 62.91 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 129.34 3.056 . . . . 0.0 117.616 163.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.617 ' HA ' HG21 ' A' ' 13' ' ' THR 0.29 0.6 OUTLIER -74.81 -41.51 59.82 Favored 'General case' 0 C--N 1.345 0.377 0 C-N-CA 130.396 3.478 . . . . 0.0 115.872 149.897 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.04 -4.25 27.66 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 119.716 3.228 . . . . 0.0 119.716 -178.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.512 0.2 OUTLIER -90.49 -56.27 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 1 CA-C-O 110.353 -4.641 . . . . 0.0 116.479 148.588 . . . . . . . . 4 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.617 HG21 ' HA ' ' A' ' 10' ' ' LEU 0.537 0.4 OUTLIER -51.37 -58.54 5.96 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 129.872 3.269 . . . . 0.0 119.647 -176.187 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.446 0.0 OUTLIER -51.31 -31.8 22.9 Favored 'General case' 0 N--CA 1.473 0.718 2 C-N-CA 140.386 7.474 . . . . 0.0 122.496 154.077 . . . . . . . . 4 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -95.61 -25.45 13.53 Favored Glycine 0 C--N 1.336 0.549 0 CA-C-O 113.66 -3.856 . . . . 0.0 119.21 -167.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.506 ' H ' HD11 ' A' ' 16' ' ' ILE 0.556 0.1 OUTLIER -62.3 -29.74 47.36 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.849 0 N-CA-C 118.062 2.615 . . . . 0.0 118.062 145.846 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.28 0.0 OUTLIER -78.2 -37.42 22.33 Favored 'Isoleucine or valine' 0 C--N 1.358 0.962 0 C-N-CA 131.577 3.951 . . . . 0.0 114.942 168.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -37.6 88.0 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 112.858 -3.448 . . . . 0.0 117.12 160.26 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 5.8 mtp -69.76 -22.65 63.34 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-O 113.113 -3.327 . . . . 0.0 117.147 173.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.543 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 2.0 p -84.02 -31.38 25.47 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 113.774 -3.012 . . . . 0.0 118.129 164.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.293 4.6 mt -78.79 -24.55 44.54 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 131.431 3.893 . . . . 0.0 116.834 166.439 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . 0.484 2.6 tp -74.51 -44.62 47.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 131.012 3.725 . . . . 0.0 118.09 170.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.267 86.2 t -75.35 -16.74 15.85 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.716 1 C-N-CA 133.685 4.794 . . . . 0.0 110.672 170.788 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.543 ' HB ' ' O ' ' A' ' 20' ' ' THR 0.724 1.2 mp -88.33 -34.66 7.26 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 N-CA-C 120.026 3.343 . . . . 0.0 120.026 164.544 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.538 3.0 m-30 -64.74 -30.67 71.68 Favored 'General case' 0 N--CA 1.474 0.734 1 C-N-CA 133.356 4.662 . . . . 0.0 116.847 164.669 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -72.2 -14.11 61.71 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 120.339 3.459 . . . . 0.0 120.339 161.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.51 -15.6 18.61 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 127.81 2.444 . . . . 0.0 116.549 171.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.501 HG11 ' O ' ' A' ' 24' ' ' ILE 0.449 1.0 OUTLIER -104.07 -56.56 5.01 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 C-N-CA 131.16 3.784 . . . . 0.0 115.522 179.142 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.71 -47.96 14.45 Favored 'General case' 0 CA--C 1.546 0.804 1 C-N-CA 134.656 5.182 . . . . 0.0 116.245 -178.57 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.4 m -93.42 170.43 9.62 Favored 'General case' 0 N--CA 1.477 0.91 1 C-N-CA 132.783 4.433 . . . . 0.0 118.658 158.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.441 0.8 OUTLIER -63.95 123.13 18.18 Favored 'General case' 0 N--CA 1.476 0.834 1 C-N-CA 132.143 4.177 . . . . 0.0 120.323 161.817 . . . . . . . . 4 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 3.2 ptt? -102.05 167.38 10.06 Favored 'General case' 0 N--CA 1.477 0.905 1 C-N-CA 133.098 4.559 . . . . 0.0 117.837 167.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . 0.259 12.0 p -50.51 119.65 11.44 Favored Pre-proline 0 N--CA 1.477 0.914 0 C-N-CA 131.307 3.843 . . . . 0.0 119.441 152.476 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . 0.384 11.4 Cg_endo -69.74 -34.22 15.07 Favored 'Trans proline' 0 C--N 1.37 1.671 1 N-CA-C 122.726 4.087 . . . . 0.0 122.726 -175.917 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -79.57 102.12 8.68 Favored 'General case' 0 N--CA 1.474 0.766 1 C-N-CA 132.804 4.442 . . . . 0.0 111.974 157.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . 0.281 12.2 p-10 . . . . . 0 C--O 1.251 1.152 0 CA-C-N 109.001 -3.727 . . . . 0.0 118.537 158.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 0.432 13.9 ptt? . . . . . 0 N--CA 1.488 1.453 0 CA-C-O 116.508 -1.711 . . . . 0.0 113.741 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.297 2.7 pp -142.57 144.57 24.41 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.936 1 C-N-CA 132.761 4.424 . . . . 0.0 110.519 -154.513 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.503 68.0 m 66.6 172.5 0.25 Allowed 'General case' 0 N--CA 1.484 1.24 1 C-N-CA 135.785 5.634 . . . . 0.0 121.184 -173.868 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . 0.257 10.5 m-20 -89.07 92.68 9.31 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 129.119 2.967 . . . . 0.0 113.167 175.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -157.31 137.86 13.03 Favored 'General case' 0 N--CA 1.478 0.964 1 C-N-CA 134.466 5.106 . . . . 0.0 113.964 -167.253 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.268 0.0 OUTLIER -68.36 7.96 0.53 Allowed 'General case' 0 N--CA 1.48 1.047 1 C-N-CA 133.568 4.747 . . . . 0.0 121.127 163.817 . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.25 3.0 mm? -56.81 0.45 0.04 OUTLIER 'General case' 0 CA--C 1.549 0.939 1 C-N-CA 132.88 4.472 . . . . 0.0 118.276 164.357 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -56.88 -23.65 46.18 Favored 'General case' 0 N--CA 1.477 0.915 1 C-N-CA 134.216 5.006 . . . . 0.0 118.374 156.26 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.5 m -59.12 -23.55 62.23 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 120.284 3.439 . . . . 0.0 120.284 156.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.56 ' HA ' HG21 ' A' ' 13' ' ' THR 0.337 0.7 OUTLIER -75.09 -43.65 51.8 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 130.376 3.47 . . . . 0.0 115.52 154.264 . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.87 -8.23 20.89 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 120.365 3.469 . . . . 0.0 120.365 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.459 0.9 OUTLIER -91.26 -60.68 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 2 CA-C-O 110.887 -4.387 . . . . 0.0 113.729 154.354 . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.56 HG21 ' HA ' ' A' ' 10' ' ' LEU 0.553 0.3 OUTLIER -46.31 -59.96 2.61 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 130.74 3.616 . . . . 0.0 120.381 -178.604 . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.411 0.0 OUTLIER -52.51 -32.74 41.79 Favored 'General case' 0 N--CA 1.471 0.61 2 C-N-CA 140.847 7.659 . . . . 0.0 122.03 156.614 . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -96.85 -23.29 15.73 Favored Glycine 0 CA--C 1.523 0.559 0 C-N-CA 130.649 3.976 . . . . 0.0 119.34 -167.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.494 ' H ' HD11 ' A' ' 16' ' ' ILE 0.523 0.1 OUTLIER -63.95 -32.58 57.73 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.87 0 CA-C-O 114.963 -2.446 . . . . 0.0 117.437 144.767 . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.299 0.0 OUTLIER -72.89 -38.03 55.78 Favored 'Isoleucine or valine' 0 C--N 1.359 0.981 0 C-N-CA 131.408 3.883 . . . . 0.0 114.455 166.264 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.401 ' O ' HG21 ' A' ' 22' ' ' ILE 0.254 0.8 OUTLIER -66.7 -38.57 87.0 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-O 112.006 -3.854 . . . . 0.0 116.248 164.155 . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.34 -25.61 68.38 Favored 'General case' 0 C--N 1.343 0.325 0 CA-C-O 112.569 -3.586 . . . . 0.0 118.574 168.386 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.531 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 1.2 p -84.35 -33.41 23.86 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 114.058 -2.877 . . . . 0.0 116.546 169.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.257 10.5 mp -77.72 -30.95 51.96 Favored 'General case' 0 CA--C 1.546 0.813 1 CA-C-O 111.3 -4.19 . . . . 0.0 115.382 171.565 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.401 HG21 ' O ' ' A' ' 18' ' ' MET 0.536 2.5 tp -65.64 -50.02 74.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 1 C-N-CA 132.135 4.174 . . . . 0.0 118.765 168.254 . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.254 84.8 t -72.78 -18.05 18.46 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 1 C-N-CA 133.789 4.836 . . . . 0.0 110.629 175.258 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.531 ' HB ' ' O ' ' A' ' 20' ' ' THR 0.69 1.2 mp -86.29 -40.36 14.26 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 C-N-CA 129.765 3.226 . . . . 0.0 118.999 165.104 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.549 3.2 m-85 -55.91 -31.69 63.1 Favored 'General case' 0 N--CA 1.474 0.758 2 C-N-CA 133.763 4.825 . . . . 0.0 116.543 161.599 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -71.44 -19.18 62.27 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 120.828 3.64 . . . . 0.0 120.828 163.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -102.94 -14.05 16.67 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 129.695 3.198 . . . . 0.0 116.32 175.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.512 HG11 ' O ' ' A' ' 24' ' ' ILE 0.47 0.7 OUTLIER -100.71 -64.04 1.58 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 C-N-CA 130.604 3.561 . . . . 0.0 113.82 172.368 . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.23 -1.95 0.39 Allowed 'General case' 0 CA--C 1.548 0.881 1 C-N-CA 134.521 5.129 . . . . 0.0 120.886 162.07 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.5 t -29.61 149.25 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.809 1 C-N-CA 134.59 5.156 . . . . 0.0 121.628 147.063 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.408 28.6 m -82.03 93.1 6.91 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 128.734 2.813 . . . . 0.0 110.341 -172.345 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -167.41 161.14 13.86 Favored 'General case' 0 N--CA 1.476 0.842 2 C-N-CA 137.319 6.248 . . . . 0.0 112.304 -148.263 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 m -39.31 126.31 1.35 Allowed Pre-proline 0 N--CA 1.481 1.113 2 N-CA-C 123.246 4.535 . . . . 0.0 123.246 163.011 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . 0.317 5.9 Cg_exo -73.21 120.05 6.35 Favored 'Trans proline' 0 C--N 1.366 1.467 2 C-N-CA 126.228 4.619 . . . . 0.0 123.619 173.519 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . 0.474 0.3 OUTLIER -92.43 -41.35 10.36 Favored 'General case' 0 N--CA 1.472 0.65 1 C-N-CA 133.231 4.612 . . . . 0.0 118.451 179.8 . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . 0.341 1.2 t-20 . . . . . 0 C--O 1.254 1.318 0 C-N-CA 129.34 3.056 . . . . 0.0 105.147 -168.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 114.066 1.136 . . . . 0.0 114.066 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.329 0.2 OUTLIER -112.98 154.26 14.42 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 C-N-CA 130.458 3.503 . . . . 0.0 114.412 168.64 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.73 138.02 29.97 Favored 'General case' 0 N--CA 1.473 0.719 1 C-N-CA 132.948 4.499 . . . . 0.0 121.554 161.358 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . 0.398 2.7 p-10 -88.64 73.52 8.56 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 130.277 3.431 . . . . 0.0 115.063 -167.289 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -138.55 135.81 35.41 Favored 'General case' 0 N--CA 1.474 0.769 1 C-N-CA 134.699 5.2 . . . . 0.0 111.934 -176.341 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.67 0.0 OUTLIER 67.53 19.41 9.93 Favored 'General case' 0 N--CA 1.48 1.049 1 C-N-CA 136.134 5.774 . . . . 0.0 120.423 -171.754 . . . . . . . . 4 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.311 1.6 mm? -64.56 -4.47 4.12 Favored 'General case' 0 CA--C 1.547 0.851 1 C-N-CA 132.114 4.166 . . . . 0.0 118.863 177.015 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -54.19 -9.24 0.25 Allowed 'General case' 0 N--CA 1.478 0.937 1 C-N-CA 134.474 5.11 . . . . 0.0 118.326 149.49 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.264 3.4 p -59.36 -10.19 2.93 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 130.915 3.686 . . . . 0.0 120.943 150.299 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.523 ' HA ' HG21 ' A' ' 13' ' ' THR 0.353 0.5 OUTLIER -70.65 -46.97 62.26 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 130.891 3.676 . . . . 0.0 116.663 152.176 . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.09 -3.38 3.61 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 120.006 3.336 . . . . 0.0 120.006 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.484 0.3 OUTLIER -100.31 -51.9 9.25 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 C-N-CA 129.93 3.292 . . . . 0.0 114.159 157.603 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.523 HG21 ' HA ' ' A' ' 10' ' ' LEU 0.567 0.3 OUTLIER -52.58 -62.12 1.85 Allowed 'General case' 0 N--CA 1.481 1.117 1 C-N-CA 132.168 4.187 . . . . 0.0 119.196 178.811 . . . . . . . . 5 4 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.381 0.0 OUTLIER -49.54 -30.05 7.89 Favored 'General case' 0 N--CA 1.471 0.602 1 C-N-CA 139.454 7.101 . . . . 0.0 121.04 151.254 . . . . . . . . 4 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -92.14 -33.99 7.41 Favored Glycine 0 C--N 1.334 0.429 0 C-N-CA 128.768 3.08 . . . . 0.0 117.459 -165.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . 0.602 1.0 OUTLIER -59.31 -33.01 49.7 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 CA-C-O 112.862 -3.447 . . . . 0.0 117.666 152.421 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -78.26 -38.78 23.77 Favored 'Isoleucine or valine' 0 C--N 1.358 0.96 1 C-N-CA 132.133 4.173 . . . . 0.0 114.448 171.168 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.3 mtt -69.98 -27.33 64.63 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-O 112.43 -3.652 . . . . 0.0 118.831 160.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . 0.252 1.6 tpt -73.43 -32.0 64.14 Favored 'General case' 0 C--N 1.347 0.482 0 CA-C-O 113.214 -3.279 . . . . 0.0 115.735 167.236 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.622 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 14.7 p -81.49 -33.36 31.96 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 112.271 -3.728 . . . . 0.0 115.371 178.482 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.414 12.1 mt -65.3 -37.91 88.6 Favored 'General case' 0 N--CA 1.475 0.806 1 CA-C-O 109.52 -5.038 . . . . 0.0 118.393 153.933 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . 0.578 1.9 tp -67.79 -43.55 86.22 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 CA-C-N 125.282 3.674 . . . . 0.0 119.101 174.032 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 89.7 t -78.79 -19.73 13.06 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 1 C-N-CA 134.144 4.978 . . . . 0.0 109.639 175.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.622 ' HB ' ' O ' ' A' ' 20' ' ' THR 0.777 1.1 mp -83.87 -41.01 16.23 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 N-CA-C 120.421 3.489 . . . . 0.0 120.421 164.244 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.502 2.4 m-85 -58.24 -25.14 61.35 Favored 'General case' 0 N--CA 1.477 0.901 1 C-N-CA 133.737 4.815 . . . . 0.0 117.738 161.277 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -77.11 -15.18 59.66 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 130.771 3.629 . . . . 0.0 119.684 160.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.06 -15.53 20.96 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 117.916 2.562 . . . . 0.0 117.916 171.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.525 HG11 ' O ' ' A' ' 24' ' ' ILE 0.436 0.8 OUTLIER -103.69 -55.13 6.01 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 1 C-N-CA 131.96 4.104 . . . . 0.0 114.974 178.78 . . . . . . . . 5 4 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -83.86 -56.43 3.7 Favored 'General case' 0 CA--C 1.544 0.722 1 C-N-CA 133.427 4.691 . . . . 0.0 114.662 -175.143 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.4 m -73.97 150.44 40.75 Favored 'General case' 0 N--CA 1.477 0.893 1 C-N-CA 132.75 4.42 . . . . 0.0 119.363 154.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.327 33.7 m -81.77 86.63 6.42 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 130.944 3.698 . . . . 0.0 113.357 -173.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.3 mmt -132.57 168.01 19.01 Favored 'General case' 0 N--CA 1.475 0.814 1 C-N-CA 136.268 5.827 . . . . 0.0 112.567 169.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . 0.312 38.1 p -32.98 102.06 0.2 Allowed Pre-proline 0 N--CA 1.479 0.977 2 C-N-CA 134.224 5.01 . . . . 0.0 122.662 161.794 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . 0.363 11.4 Cg_endo -81.95 131.64 7.07 Favored 'Trans proline' 0 C--N 1.37 1.702 2 C-N-CA 126.47 4.78 . . . . 0.0 124.386 -177.213 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . 0.495 0.0 OUTLIER -105.61 -46.9 4.05 Favored 'General case' 0 N--CA 1.479 0.977 1 C-N-CA 134.341 5.057 . . . . 0.0 117.189 -176.13 . . . . . . . . 4 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . 0.512 1.0 OUTLIER . . . . . 0 C--O 1.252 1.2 0 C-N-CA 127.438 2.295 . . . . 0.0 107.704 -159.713 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 0.253 1.4 mpp? . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 114.522 -2.656 . . . . 0.0 115.416 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.349 0.9 OUTLIER -123.5 131.93 72.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 131.251 3.82 . . . . 0.0 112.079 -166.12 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.392 2.3 m -90.75 81.27 5.8 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 126.46 1.904 . . . . 0.0 115.114 -175.42 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -139.05 152.48 47.6 Favored 'General case' 0 N--CA 1.473 0.694 2 C-N-CA 136.866 6.066 . . . . 0.0 111.275 -167.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -78.43 110.74 13.76 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 130.243 3.417 . . . . 0.0 113.193 152.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.312 0.0 OUTLIER -112.79 21.39 15.57 Favored 'General case' 0 N--CA 1.478 0.941 1 C-N-CA 132.332 4.253 . . . . 0.0 117.244 171.202 . . . . . . . . 4 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -72.47 11.45 0.61 Allowed 'General case' 0 CA--C 1.553 1.069 1 C-N-CA 132.317 4.247 . . . . 0.0 117.257 165.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.98 -31.81 72.21 Favored 'General case' 0 N--CA 1.479 0.976 1 C-N-CA 133.148 4.579 . . . . 0.0 117.633 151.873 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.0 m -62.27 -18.25 60.76 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 120.445 3.498 . . . . 0.0 120.445 159.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.609 ' HA ' HG21 ' A' ' 13' ' ' THR 0.303 0.7 OUTLIER -78.88 -42.24 27.79 Favored 'General case' 0 CA--C 1.534 0.34 1 CA-C-O 111.667 -4.016 . . . . 0.0 114.886 152.082 . . . . . . . . 5 4 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.32 -4.58 26.82 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 120.186 3.402 . . . . 0.0 120.186 -177.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.446 0.8 OUTLIER -96.15 -54.48 7.04 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 2 CA-C-O 110.062 -4.78 . . . . 0.0 113.439 157.05 . . . . . . . . 4 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.609 HG21 ' HA ' ' A' ' 10' ' ' LEU 0.562 0.4 OUTLIER -51.43 -60.48 3.09 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 130.521 3.528 . . . . 0.0 119.896 179.813 . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.399 0.0 OUTLIER -53.18 -27.22 20.34 Favored 'General case' 0 N--CA 1.472 0.647 1 C-N-CA 140.711 7.604 . . . . 0.0 121.738 155.752 . . . . . . . . 4 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -95.91 -31.86 7.13 Favored Glycine 0 CA--C 1.521 0.46 1 CA-C-O 112.899 -4.278 . . . . 0.0 117.873 -166.133 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.501 ' H ' HD11 ' A' ' 16' ' ' ILE 0.546 0.1 OUTLIER -60.2 -29.26 43.53 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.808 0 N-CA-C 118.073 2.619 . . . . 0.0 118.073 148.176 . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.33 0.0 OUTLIER -77.18 -37.77 26.4 Favored 'Isoleucine or valine' 0 C--N 1.357 0.909 0 C-N-CA 131.585 3.954 . . . . 0.0 115.641 167.803 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . 0.253 2.5 ttp -67.06 -36.43 82.02 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-O 112.449 -3.644 . . . . 0.0 116.695 161.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 32.2 mtm -65.85 -24.41 66.88 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-O 113.784 -3.007 . . . . 0.0 117.155 169.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.514 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 2.0 p -85.97 -29.91 23.17 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 113.633 -3.08 . . . . 0.0 117.964 166.337 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.302 5.3 mt -75.94 -29.39 58.3 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-O 111.72 -3.991 . . . . 0.0 116.871 162.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . 0.526 2.0 tp -69.94 -44.96 78.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 131.105 3.762 . . . . 0.0 118.351 172.459 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.259 67.1 t -76.87 -16.89 14.71 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 1 C-N-CA 134.224 5.01 . . . . 0.0 110.589 172.05 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.527 ' O ' HG11 ' A' ' 28' ' ' VAL 0.763 1.1 mp -85.97 -36.63 10.87 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 N-CA-C 121.596 3.925 . . . . 0.0 121.596 163.427 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.46 2.6 m-85 -63.73 -30.69 71.76 Favored 'General case' 0 N--CA 1.477 0.894 1 C-N-CA 134.4 5.08 . . . . 0.0 116.45 161.898 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -75.56 -6.99 53.06 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 120.735 3.606 . . . . 0.0 120.735 158.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . 0.336 . . -93.28 -38.4 11.54 Favored 'General case' 0 CA--C 1.537 0.443 1 CA-C-O 109.249 -5.167 . . . . 0.0 115.662 157.916 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.527 HG11 ' O ' ' A' ' 24' ' ' ILE 0.537 0.9 OUTLIER -87.36 -53.21 10.46 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 N-CA-C 118.159 2.651 . . . . 0.0 118.159 -174.668 . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -69.22 -46.76 66.6 Favored 'General case' 0 N--CA 1.473 0.705 1 C-N-CA 134.498 5.119 . . . . 0.0 116.147 177.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.9 t -72.39 159.21 34.37 Favored 'General case' 0 N--CA 1.476 0.869 1 C-N-CA 134.639 5.176 . . . . 0.0 118.708 162.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.288 25.8 p -73.22 84.63 1.38 Allowed 'General case' 0 N--CA 1.475 0.808 1 C-N-CA 131.929 4.091 . . . . 0.0 116.432 -157.613 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.47 163.66 29.21 Favored 'General case' 0 N--CA 1.473 0.679 1 C-N-CA 133.991 4.916 . . . . 0.0 116.204 -175.821 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . 0.253 90.7 p -76.42 98.97 0.29 Allowed Pre-proline 0 CA--C 1.548 0.875 0 N-CA-C 121.373 3.842 . . . . 0.0 121.373 138.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . 0.342 11.5 Cg_endo -86.05 166.9 9.64 Favored 'Trans proline' 0 C--N 1.369 1.647 2 C-N-CA 128.132 5.888 . . . . 0.0 122.937 153.184 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . 0.409 0.5 OUTLIER -54.03 -35.91 62.46 Favored 'General case' 0 N--CA 1.481 1.096 1 C-N-CA 133.81 4.844 . . . . 0.0 120.449 177.113 . . . . . . . . 4 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . 0.756 9.5 m-80 . . . . . 0 C--O 1.252 1.204 2 N-CA-C 127.649 6.166 . . . . 0.0 127.649 -158.169 . . . . . . . . 2 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mmt . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.257 2.8 mt -128.26 102.67 8.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 131.201 3.8 . . . . 0.0 106.623 179.287 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 t -126.65 -66.18 0.92 Allowed 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 131.219 3.808 . . . . 0.0 113.132 159.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -144.23 134.87 24.87 Favored 'General case' 0 N--CA 1.477 0.896 1 C-N-CA 133.099 4.559 . . . . 0.0 110.985 -157.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.251 21.7 mt-10 -81.34 103.69 11.28 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 130.126 3.371 . . . . 0.0 115.041 -175.032 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.319 6.5 mt-30 -117.76 7.03 12.39 Favored 'General case' 0 CA--C 1.543 0.696 1 C-N-CA 133.306 4.643 . . . . 0.0 115.335 -169.482 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -64.27 9.82 0.07 Allowed 'General case' 0 CA--C 1.552 1.057 1 C-N-CA 134.855 5.262 . . . . 0.0 118.25 160.159 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -65.73 -34.9 79.26 Favored 'General case' 0 N--CA 1.477 0.912 1 C-N-CA 132.978 4.511 . . . . 0.0 116.344 154.024 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.26 -13.5 62.43 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 130.352 3.461 . . . . 0.0 118.631 162.017 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.682 ' HA ' HG21 ' A' ' 13' ' ' THR . 0.4 OUTLIER -80.85 -46.46 15.26 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 112.845 -3.455 . . . . 0.0 115.335 149.644 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.83 -11.67 29.24 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 120.042 3.349 . . . . 0.0 120.042 -176.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.515 0.7 OUTLIER -89.66 -55.59 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 1 CA-C-O 109.853 -4.88 . . . . 0.0 115.561 155.007 . . . . . . . . 4 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.682 HG21 ' HA ' ' A' ' 10' ' ' LEU 0.551 0.4 OUTLIER -48.65 -59.35 3.6 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 130.496 3.518 . . . . 0.0 119.483 179.535 . . . . . . . . 4 4 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.403 0.0 OUTLIER -53.72 -28.52 34.56 Favored 'General case' 0 N--CA 1.472 0.638 2 C-N-CA 141.243 7.817 . . . . 0.0 122.305 156.242 . . . . . . . . 4 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -98.86 -30.31 6.83 Favored Glycine 0 C--N 1.335 0.481 1 CA-C-O 112.235 -4.647 . . . . 0.0 117.173 -163.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.473 ' H ' HD11 ' A' ' 16' ' ' ILE 0.518 0.1 OUTLIER -60.81 -29.57 45.48 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 CA-C-O 114.682 -2.58 . . . . 0.0 117.477 148.454 . . . . . . . . 4 4 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -78.73 -33.48 16.64 Favored 'Isoleucine or valine' 0 C--N 1.358 0.958 0 C-N-CA 131.173 3.789 . . . . 0.0 114.64 168.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -72.97 -34.65 66.61 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 112.18 -3.771 . . . . 0.0 115.747 164.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 17.5 mtm -71.02 -23.39 62.16 Favored 'General case' 0 C--N 1.345 0.406 0 CA-C-O 113.359 -3.21 . . . . 0.0 116.994 171.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.526 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 3.3 p -79.81 -36.07 37.52 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 113.411 -3.185 . . . . 0.0 117.771 163.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.3 4.0 mt -75.34 -27.93 59.4 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 131.058 3.743 . . . . 0.0 116.789 168.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . 0.52 2.1 tp -69.18 -45.5 79.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 131.521 3.928 . . . . 0.0 118.192 168.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.288 91.1 t -75.8 -18.25 15.56 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 1 C-N-CA 134.116 4.966 . . . . 0.0 111.125 172.375 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.531 ' O ' HG11 ' A' ' 28' ' ' VAL 0.749 1.1 mp -86.31 -37.47 11.62 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 N-CA-C 120.798 3.629 . . . . 0.0 120.798 165.08 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.478 2.6 m-85 -61.67 -32.71 72.9 Favored 'General case' 0 N--CA 1.478 0.964 1 C-N-CA 134.725 5.21 . . . . 0.0 115.318 161.635 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -73.44 -7.02 50.01 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 120.704 3.594 . . . . 0.0 120.704 161.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -101.59 -28.65 12.4 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 114.019 -2.896 . . . . 0.0 116.634 164.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.531 HG11 ' O ' ' A' ' 24' ' ' ILE 0.51 0.7 OUTLIER -92.6 -61.89 1.88 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 130.267 3.427 . . . . 0.0 115.706 -179.482 . . . . . . . . 4 4 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -57.36 -31.37 65.69 Favored 'General case' 0 N--CA 1.476 0.839 1 C-N-CA 134.898 5.279 . . . . 0.0 117.707 174.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.6 p -59.44 157.61 10.95 Favored 'General case' 0 N--CA 1.474 0.742 1 C-N-CA 133.541 4.736 . . . . 0.0 119.806 160.529 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.462 0.8 OUTLIER -68.04 89.63 0.3 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 130.613 3.565 . . . . 0.0 116.631 -168.553 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.38 168.42 9.99 Favored 'General case' 0 N--CA 1.474 0.741 1 C-N-CA 134.587 5.155 . . . . 0.0 114.717 179.715 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.5 m -42.7 120.22 2.6 Favored Pre-proline 0 N--CA 1.477 0.908 0 N-CA-C 120.246 3.424 . . . . 0.0 120.246 148.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . 0.465 33.2 Cg_endo -68.97 139.19 42.33 Favored 'Trans proline' 0 C--N 1.367 1.552 2 C-N-CA 126.749 4.966 . . . . 0.0 122.516 168.516 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . 0.297 0.0 OUTLIER -48.71 -42.12 34.02 Favored 'General case' 0 N--CA 1.486 1.35 1 C-N-CA 135.642 5.577 . . . . 0.0 118.081 -168.998 . . . . . . . . 4 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.4 t30 . . . . . 0 C--O 1.25 1.127 1 C-N-CA 134.386 5.075 . . . . 0.0 121.513 -162.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.5 mmt . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 113.804 1.039 . . . . 0.0 113.804 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.5 mp -108.28 112.5 40.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 C-N-CA 131.557 3.943 . . . . 0.0 107.696 173.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.62 121.18 10.95 Favored 'General case' 0 N--CA 1.469 0.497 1 C-N-CA 132.662 4.385 . . . . 0.0 118.038 169.448 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . 0.393 1.9 p-10 -74.62 93.86 2.59 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 109.805 -3.361 . . . . 0.0 114.911 -171.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -109.39 124.5 51.1 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 131.661 3.984 . . . . 0.0 114.285 -171.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.305 3.2 pt20 -47.94 -2.07 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.714 2 C-N-CA 135.562 5.545 . . . . 0.0 121.883 162.703 . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -64.0 6.43 0.17 Allowed 'General case' 0 CA--C 1.55 0.976 1 C-N-CA 134.697 5.199 . . . . 0.0 118.315 160.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -64.01 -14.17 52.13 Favored 'General case' 0 N--CA 1.475 0.817 1 C-N-CA 133.174 4.59 . . . . 0.0 117.569 145.47 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.1 m -69.37 -15.77 63.38 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 129.831 3.253 . . . . 0.0 117.122 158.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.646 ' HA ' HG21 ' A' ' 13' ' ' THR 0.302 1.0 OUTLIER -71.6 -47.22 56.14 Favored 'General case' 0 C--N 1.348 0.525 0 C-N-CA 130.685 3.594 . . . . 0.0 115.484 151.159 . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.53 -4.68 9.03 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 120.997 3.703 . . . . 0.0 120.997 -178.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.46 0.8 OUTLIER -95.0 -55.62 5.95 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 2 CA-C-O 109.944 -4.836 . . . . 0.0 113.253 156.365 . . . . . . . . 4 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.646 HG21 ' HA ' ' A' ' 10' ' ' LEU 0.569 0.4 OUTLIER -50.89 -61.83 1.98 Allowed 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 130.359 3.463 . . . . 0.0 118.716 -178.747 . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.397 0.0 OUTLIER -52.49 -24.51 8.15 Favored 'General case' 0 N--CA 1.473 0.72 2 C-N-CA 140.768 7.627 . . . . 0.0 122.217 156.52 . . . . . . . . 4 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -100.29 -33.8 5.02 Favored Glycine 0 C--N 1.333 0.396 1 CA-C-O 111.343 -5.143 . . . . 0.0 116.317 -162.297 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.485 ' H ' HD11 ' A' ' 16' ' ' ILE 0.515 0.1 OUTLIER -60.05 -30.52 45.81 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.837 0 O-C-N 127.753 2.678 . . . . 0.0 117.41 148.202 . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.35 0.1 OUTLIER -75.93 -33.47 25.36 Favored 'Isoleucine or valine' 0 C--N 1.357 0.912 0 C-N-CA 130.754 3.622 . . . . 0.0 115.356 165.825 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.4 ' O ' HG21 ' A' ' 22' ' ' ILE 0.285 0.0 OUTLIER -71.42 -38.99 71.36 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-O 113.199 -3.286 . . . . 0.0 117.238 162.393 . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.2 mmt -64.39 -19.33 65.43 Favored 'General case' 0 C--N 1.343 0.3 0 CA-C-O 112.958 -3.401 . . . . 0.0 117.157 171.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.526 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 5.1 p -89.45 -35.24 16.11 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 113.929 -2.939 . . . . 0.0 116.588 168.632 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.2 mp -79.46 -25.32 41.94 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 130.655 3.582 . . . . 0.0 115.319 173.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.4 HG21 ' O ' ' A' ' 18' ' ' MET 0.494 2.0 tp -68.39 -49.28 67.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 131.51 3.924 . . . . 0.0 118.13 165.552 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.25 90.6 t -72.92 -17.89 18.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 1 C-N-CA 134.238 5.015 . . . . 0.0 111.182 173.689 . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.526 ' HB ' ' O ' ' A' ' 20' ' ' THR 0.714 1.1 mp -85.46 -36.92 11.55 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 N-CA-C 120.359 3.466 . . . . 0.0 120.359 163.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.499 3.1 m-85 -60.59 -28.27 68.36 Favored 'General case' 0 N--CA 1.477 0.901 1 C-N-CA 134.055 4.942 . . . . 0.0 117.475 162.41 . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -76.63 -13.89 60.02 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 120.606 3.558 . . . . 0.0 120.606 162.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.33 -16.79 19.2 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 128.072 2.549 . . . . 0.0 117.223 168.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.503 HG11 ' O ' ' A' ' 24' ' ' ILE 0.464 0.9 OUTLIER -101.45 -60.07 3.02 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 C-N-CA 131.222 3.809 . . . . 0.0 114.855 178.648 . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -78.81 -52.53 8.21 Favored 'General case' 0 N--CA 1.473 0.704 1 C-N-CA 134.346 5.058 . . . . 0.0 116.013 -178.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.77 166.88 15.72 Favored 'General case' 0 N--CA 1.475 0.777 1 C-N-CA 133.893 4.877 . . . . 0.0 119.626 158.327 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.409 1.3 t -82.88 121.64 27.21 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 130.583 3.553 . . . . 0.0 118.246 164.368 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.52 151.76 20.28 Favored 'General case' 0 N--CA 1.475 0.796 1 C-N-CA 132.38 4.272 . . . . 0.0 114.382 156.656 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.13 120.05 51.09 Favored Pre-proline 0 N--CA 1.473 0.715 0 N-CA-C 117.951 2.574 . . . . 0.0 117.951 140.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . 0.321 17.7 Cg_endo -80.27 173.02 12.99 Favored 'Trans proline' 0 C--N 1.363 1.323 0 C-N-CA 124.71 3.607 . . . . 0.0 120.324 159.111 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . 0.326 0.3 OUTLIER -51.92 -42.16 62.57 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-O 112.33 -3.7 . . . . 0.0 115.643 176.018 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . 0.37 0.2 OUTLIER . . . . . 0 C--O 1.253 1.277 0 C-N-CA 128.436 2.695 . . . . 0.0 107.973 -164.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mtt . . . . . 0 N--CA 1.489 1.499 0 CA-C-O 120.765 0.317 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.302 1.4 tp -122.44 128.01 75.27 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 C-N-CA 131.194 3.798 . . . . 0.0 112.52 -172.666 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.3 m -94.16 93.39 7.77 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 129.78 3.232 . . . . 0.0 114.866 162.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -152.33 151.6 31.07 Favored 'General case' 0 N--CA 1.477 0.917 1 C-N-CA 134.465 5.106 . . . . 0.0 113.26 165.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -78.89 152.6 31.1 Favored 'General case' 0 N--CA 1.486 1.375 1 C-N-CA 134.573 5.149 . . . . 0.0 118.949 157.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.554 1.0 OUTLIER 75.89 33.56 0.6 Allowed 'General case' 0 N--CA 1.493 1.713 1 C-N-CA 137.265 6.226 . . . . 0.0 119.176 -169.21 . . . . . . . . 4 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -84.26 14.92 3.89 Favored 'General case' 0 CA--C 1.548 0.896 1 C-N-CA 134.052 4.941 . . . . 0.0 118.361 173.474 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -62.69 -16.51 57.55 Favored 'General case' 0 N--CA 1.477 0.901 1 C-N-CA 133.002 4.521 . . . . 0.0 118.616 143.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 m -67.3 -12.23 59.6 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 129.497 3.119 . . . . 0.0 116.14 161.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.522 ' HA ' HG21 ' A' ' 13' ' ' THR 0.361 1.1 tt -69.08 -51.02 43.09 Favored 'General case' 0 C--N 1.349 0.57 0 C-N-CA 130.811 3.644 . . . . 0.0 116.347 150.298 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.19 -0.85 1.88 Allowed 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 121.419 3.859 . . . . 0.0 121.419 -178.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.45 1.2 mp -101.87 -58.09 4.1 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 2 CA-C-O 110.049 -4.786 . . . . 0.0 109.475 160.466 . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.522 HG21 ' HA ' ' A' ' 10' ' ' LEU 0.556 0.4 OUTLIER -50.03 -60.42 2.95 Favored 'General case' 0 N--CA 1.482 1.14 1 C-N-CA 131.731 4.012 . . . . 0.0 119.127 -179.03 . . . . . . . . 5 4 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.427 0.0 OUTLIER -52.06 -29.03 19.52 Favored 'General case' 0 N--CA 1.472 0.67 2 C-N-CA 139.843 7.257 . . . . 0.0 122.745 157.18 . . . . . . . . 4 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -103.32 -26.96 6.69 Favored Glycine 0 CA--C 1.522 0.503 1 CA-C-O 112.413 -4.548 . . . . 0.0 117.631 -163.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.445 ' H ' HD11 ' A' ' 16' ' ' ILE 0.544 0.1 OUTLIER -62.92 -29.75 47.92 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.851 0 CA-C-O 114.628 -2.606 . . . . 0.0 117.462 144.406 . . . . . . . . 4 4 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.3 0.0 OUTLIER -74.33 -34.89 38.1 Favored 'Isoleucine or valine' 0 C--N 1.359 1.014 0 C-N-CA 130.428 3.491 . . . . 0.0 115.465 165.123 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -75.72 -34.63 60.36 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 113.017 -3.373 . . . . 0.0 117.342 168.008 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 11.9 mtt -62.97 -28.14 69.88 Favored 'General case' 0 C--N 1.345 0.403 0 CA-C-O 113.448 -3.168 . . . . 0.0 116.774 166.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.551 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 4.3 p -80.55 -35.17 34.77 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 113.338 -3.22 . . . . 0.0 116.829 169.545 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.375 6.1 mt -71.39 -31.75 67.65 Favored 'General case' 0 N--CA 1.477 0.921 1 CA-C-O 110.746 -4.455 . . . . 0.0 116.975 164.339 . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . 0.535 1.7 tp -70.07 -41.82 79.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 131.598 3.959 . . . . 0.0 117.836 171.407 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.261 59.2 t -77.56 -19.02 14.07 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 1 C-N-CA 134.85 5.26 . . . . 0.0 110.792 172.339 . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.555 ' O ' HG11 ' A' ' 28' ' ' VAL 0.752 1.1 mp -88.13 -43.28 15.36 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 N-CA-C 120.296 3.443 . . . . 0.0 120.296 168.184 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.455 3.3 m-30 -52.91 -35.15 57.86 Favored 'General case' 0 N--CA 1.476 0.865 1 C-N-CA 134.974 5.309 . . . . 0.0 116.449 154.959 . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . 0.364 79.5 t60 -61.71 -25.16 67.25 Favored 'General case' 0 N--CA 1.469 0.476 1 CA-C-O 107.207 -6.139 . . . . 0.0 119.178 159.919 . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.29 -16.15 18.59 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 117.017 2.229 . . . . 0.0 117.017 177.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.555 HG11 ' O ' ' A' ' 24' ' ' ILE 0.434 0.8 OUTLIER -98.62 -60.28 2.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 130.47 3.508 . . . . 0.0 113.542 177.596 . . . . . . . . 4 4 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.23 -6.99 1.67 Allowed 'General case' 0 CA--C 1.545 0.773 1 C-N-CA 133.738 4.815 . . . . 0.0 120.47 157.617 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.69 146.59 1.5 Allowed 'General case' 0 N--CA 1.476 0.829 1 C-N-CA 131.93 4.092 . . . . 0.0 120.163 150.487 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.338 36.6 p -65.8 84.57 0.08 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 131.047 3.739 . . . . 0.0 114.701 -177.143 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -117.58 152.17 35.67 Favored 'General case' 0 N--CA 1.471 0.604 2 C-N-CA 135.253 5.421 . . . . 0.0 110.627 -168.823 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . 0.359 1.0 OUTLIER -52.66 94.75 0.06 OUTLIER Pre-proline 0 N--CA 1.476 0.866 1 C-N-CA 133.362 4.665 . . . . 0.0 117.817 -179.955 . . . . . . . . 4 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . 0.436 9.2 Cg_endo -83.72 108.53 1.45 Allowed 'Trans proline' 0 C--N 1.368 1.56 1 N-CA-C 122.952 4.174 . . . . 0.0 122.952 -171.446 . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.14 -41.59 9.02 Favored 'General case' 0 N--CA 1.474 0.726 1 C-N-CA 132.169 4.188 . . . . 0.0 114.814 -165.855 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--O 1.254 1.329 0 C-N-CA 127.065 2.146 . . . . 0.0 110.837 174.583 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 0.286 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.255 2.5 pp -122.48 143.95 33.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 1 C-N-CA 132.462 4.305 . . . . 0.0 112.807 -170.621 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.276 67.6 m -101.82 67.3 1.09 Allowed 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 128.224 2.609 . . . . 0.0 114.744 170.424 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -158.61 162.89 37.36 Favored 'General case' 0 N--CA 1.483 1.196 1 C-N-CA 134.219 5.007 . . . . 0.0 115.416 178.633 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.73 115.05 10.47 Favored 'General case' 0 N--CA 1.481 1.124 1 C-N-CA 132.704 4.402 . . . . 0.0 115.533 159.196 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.291 2.0 pt20 -109.95 -11.4 14.66 Favored 'General case' 0 N--CA 1.475 0.787 2 C-N-CA 134.198 4.999 . . . . 0.0 116.249 174.482 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -58.28 6.78 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.011 1 C-N-CA 134.05 4.94 . . . . 0.0 119.446 175.57 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -57.27 -36.03 70.5 Favored 'General case' 0 N--CA 1.478 0.943 1 C-N-CA 134.304 5.041 . . . . 0.0 118.749 147.365 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 m -64.1 -22.61 67.0 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 119.58 3.178 . . . . 0.0 119.58 159.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.688 ' HA ' HG21 ' A' ' 13' ' ' THR 0.253 0.6 OUTLIER -76.87 -44.95 30.09 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 112.075 -3.821 . . . . 0.0 114.14 154.794 . . . . . . . . 4 4 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.65 -8.77 15.69 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 121.037 3.717 . . . . 0.0 121.037 -178.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.508 0.8 OUTLIER -92.8 -57.09 4.58 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 1 CA-C-O 110.208 -4.711 . . . . 0.0 113.332 156.969 . . . . . . . . 4 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.688 HG21 ' HA ' ' A' ' 10' ' ' LEU 0.555 0.3 OUTLIER -47.45 -59.5 3.18 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 130.866 3.666 . . . . 0.0 119.987 179.531 . . . . . . . . 4 4 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.417 0.0 OUTLIER -53.72 -31.32 47.75 Favored 'General case' 0 N--CA 1.471 0.607 2 C-N-CA 141.376 7.87 . . . . 0.0 122.918 157.621 . . . . . . . . 4 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -101.2 -22.66 10.38 Favored Glycine 0 CA--C 1.522 0.502 0 CA-C-O 113.789 -3.784 . . . . 0.0 118.376 -164.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.475 ' H ' HD11 ' A' ' 16' ' ' ILE 0.538 0.1 OUTLIER -63.77 -31.93 55.02 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.828 0 CA-C-O 114.717 -2.563 . . . . 0.0 117.588 144.028 . . . . . . . . 4 4 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.28 0.0 OUTLIER -74.79 -35.7 37.5 Favored 'Isoleucine or valine' 0 C--N 1.359 0.996 0 C-N-CA 131.432 3.893 . . . . 0.0 114.481 166.47 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -70.31 -36.76 74.5 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 112.156 -3.783 . . . . 0.0 116.8 164.553 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 13.4 mtp -62.16 -27.42 68.94 Favored 'General case' 0 C--N 1.347 0.462 0 CA-C-O 113.282 -3.246 . . . . 0.0 118.278 166.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.512 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 2.2 p -83.88 -31.36 25.76 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 114.309 -2.758 . . . . 0.0 117.48 169.635 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.39 5.4 mt -72.82 -36.14 67.46 Favored 'General case' 0 N--CA 1.476 0.868 1 CA-C-O 110.553 -4.546 . . . . 0.0 116.432 162.554 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . 0.569 1.7 tp -64.73 -44.11 96.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 131.26 3.824 . . . . 0.0 118.649 173.094 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.264 90.7 t -78.13 -20.11 13.56 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 1 C-N-CA 133.812 4.845 . . . . 0.0 110.107 175.596 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.568 ' O ' HG11 ' A' ' 28' ' ' VAL 0.714 1.2 mp -84.89 -40.58 15.16 Favored 'Isoleucine or valine' 0 C--N 1.351 0.64 0 N-CA-C 119.838 3.273 . . . . 0.0 119.838 166.912 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.504 2.3 m-85 -56.66 -34.86 67.75 Favored 'General case' 0 N--CA 1.472 0.661 2 C-N-CA 134.016 4.926 . . . . 0.0 116.938 160.271 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -71.27 -10.49 59.85 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 121.128 3.751 . . . . 0.0 121.128 160.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -101.82 -21.03 14.68 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 114.797 -2.525 . . . . 0.0 117.045 166.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.568 HG11 ' O ' ' A' ' 24' ' ' ILE 0.49 0.9 OUTLIER -95.97 -55.78 5.79 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 129.323 3.049 . . . . 0.0 116.34 178.626 . . . . . . . . 4 4 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.06 -28.24 62.4 Favored 'General case' 0 CA--C 1.548 0.868 1 C-N-CA 134.961 5.304 . . . . 0.0 118.284 171.449 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.21 172.96 2.17 Favored 'General case' 0 N--CA 1.476 0.871 1 C-N-CA 135.337 5.455 . . . . 0.0 121.279 156.428 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.348 90.1 m -74.97 82.99 2.22 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 131.244 3.818 . . . . 0.0 112.198 -179.398 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.29 179.37 5.82 Favored 'General case' 0 N--CA 1.477 0.918 1 C-N-CA 135.662 5.585 . . . . 0.0 112.977 170.072 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.3 m -53.35 119.05 16.02 Favored Pre-proline 0 N--CA 1.481 1.089 0 C-N-CA 131.271 3.828 . . . . 0.0 120.673 154.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . 0.302 5.2 Cg_exo -76.08 129.98 11.83 Favored 'Trans proline' 0 C--N 1.368 1.573 2 N-CA-C 124.432 4.743 . . . . 0.0 124.432 167.954 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . 0.418 0.8 OUTLIER -111.68 -40.33 4.35 Favored 'General case' 0 N--CA 1.475 0.81 1 C-N-CA 133.964 4.906 . . . . 0.0 116.379 -173.829 . . . . . . . . 4 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . 0.335 1.5 t-20 . . . . . 0 C--O 1.255 1.373 0 C-N-CA 129.065 2.946 . . . . 0.0 105.251 -169.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 0.364 27.2 mtm . . . . . 0 N--CA 1.492 1.626 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.354 0.3 OUTLIER -110.44 132.23 59.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 131.41 3.884 . . . . 0.0 114.307 167.829 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.2 m -95.07 96.68 9.41 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 130.325 3.45 . . . . 0.0 113.995 169.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -130.71 145.65 51.99 Favored 'General case' 0 CA--C 1.548 0.871 1 C-N-CA 131.765 4.026 . . . . 0.0 113.294 176.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -93.2 155.92 17.15 Favored 'General case' 0 N--CA 1.484 1.243 1 C-N-CA 134.739 5.216 . . . . 0.0 116.653 168.455 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.51 0.0 OUTLIER 79.62 14.91 0.94 Allowed 'General case' 0 N--CA 1.494 1.732 1 C-N-CA 136.241 5.816 . . . . 0.0 119.483 -166.423 . . . . . . . . 4 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.294 1.8 mm? -64.06 -2.08 1.83 Allowed 'General case' 0 N--CA 1.477 0.884 1 C-N-CA 132.185 4.194 . . . . 0.0 120.081 176.167 . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -50.7 -10.18 0.06 Allowed 'General case' 0 N--CA 1.479 0.992 1 C-N-CA 133.144 4.578 . . . . 0.0 119.239 147.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.49 -9.9 58.93 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 129.687 3.195 . . . . 0.0 117.925 157.102 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.51 ' HA ' HG21 ' A' ' 13' ' ' THR 0.371 0.4 OUTLIER -70.15 -48.15 58.61 Favored 'General case' 0 C--N 1.348 0.525 0 C-N-CA 130.777 3.631 . . . . 0.0 116.08 149.595 . . . . . . . . 4 4 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.25 -6.5 9.8 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 120.628 3.566 . . . . 0.0 120.628 179.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.444 0.7 OUTLIER -92.97 -59.7 2.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 1 CA-C-O 110.45 -4.595 . . . . 0.0 113.237 155.446 . . . . . . . . 4 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.51 HG21 ' HA ' ' A' ' 10' ' ' LEU 0.548 0.3 OUTLIER -49.17 -61.85 1.85 Allowed 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 130.567 3.547 . . . . 0.0 119.917 -179.282 . . . . . . . . 4 4 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.38 0.0 OUTLIER -49.57 -28.01 5.14 Favored 'General case' 0 N--CA 1.473 0.682 2 C-N-CA 139.957 7.303 . . . . 0.0 122.176 154.189 . . . . . . . . 4 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -97.78 -32.62 6.15 Favored Glycine 0 C--N 1.334 0.452 1 CA-C-O 111.052 -5.304 . . . . 0.0 117.025 -164.656 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.459 ' H ' HD11 ' A' ' 16' ' ' ILE 0.535 0.1 OUTLIER -58.82 -31.28 44.51 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 CA-C-O 114.732 -2.556 . . . . 0.0 117.506 147.199 . . . . . . . . 4 4 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.337 0.0 OUTLIER -76.26 -35.68 28.31 Favored 'Isoleucine or valine' 0 C--N 1.357 0.926 0 C-N-CA 131.143 3.777 . . . . 0.0 115.344 167.318 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -71.0 -37.05 72.67 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 113.221 -3.276 . . . . 0.0 115.65 164.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.5 mtp -68.75 -22.81 64.28 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 129.847 3.259 . . . . 0.0 117.216 175.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.534 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 2.0 p -80.51 -35.77 34.17 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 113.457 -3.163 . . . . 0.0 117.779 162.595 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.7 mp -79.31 -26.56 42.22 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 131.076 3.751 . . . . 0.0 115.952 173.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . 0.476 1.9 tp -68.1 -49.32 68.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 1 C-N-CA 133.031 4.533 . . . . 0.0 118.102 166.019 . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.256 91.5 t -72.46 -18.19 18.87 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 1 C-N-CA 133.79 4.836 . . . . 0.0 110.689 173.172 . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.534 ' HB ' ' O ' ' A' ' 20' ' ' THR 0.711 1.1 mp -86.49 -37.54 11.59 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 N-CA-C 120.007 3.336 . . . . 0.0 120.007 165.139 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.514 3.2 m-85 -59.23 -30.65 68.4 Favored 'General case' 0 N--CA 1.476 0.847 1 C-N-CA 133.916 4.886 . . . . 0.0 116.379 161.668 . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -77.07 -12.37 59.93 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 120.114 3.376 . . . . 0.0 120.114 164.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.09 -16.95 18.46 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 128.01 2.524 . . . . 0.0 116.984 167.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.507 HG11 ' O ' ' A' ' 24' ' ' ILE 0.474 0.8 OUTLIER -99.1 -60.83 2.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 C-N-CA 130.508 3.523 . . . . 0.0 114.764 177.307 . . . . . . . . 4 4 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.61 -52.15 8.87 Favored 'General case' 0 CA--C 1.543 0.684 1 C-N-CA 133.973 4.909 . . . . 0.0 114.891 -176.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.31 161.24 19.6 Favored 'General case' 0 N--CA 1.475 0.81 1 C-N-CA 133.438 4.695 . . . . 0.0 118.446 161.195 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.274 68.0 m -90.63 97.17 11.02 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 131.627 3.971 . . . . 0.0 112.688 -177.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.41 138.97 54.48 Favored 'General case' 0 N--CA 1.471 0.615 1 C-N-CA 133.147 4.579 . . . . 0.0 113.58 164.282 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.9 m -105.73 105.2 52.12 Favored Pre-proline 0 CA--C 1.544 0.735 0 C-N-CA 126.994 2.118 . . . . 0.0 115.035 142.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . 0.304 19.7 Cg_endo -76.18 33.59 0.41 Allowed 'Trans proline' 0 C--N 1.364 1.393 2 C-N-CA 126.497 4.798 . . . . 0.0 122.64 168.946 . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . 0.448 0.0 OUTLIER -137.21 -42.67 0.56 Allowed 'General case' 0 N--CA 1.472 0.637 1 C-N-CA 132.697 4.399 . . . . 0.0 113.3 -162.063 . . . . . . . . 4 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.7 t30 . . . . . 0 C--O 1.254 1.34 0 C-N-CA 129.168 2.987 . . . . 0.0 112.498 -153.244 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 0.388 3.1 ptm . . . . . 0 N--CA 1.489 1.477 0 CA-C-O 117.782 -1.104 . . . . 0.0 112.97 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.457 5.5 tt -142.85 103.27 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 130.762 3.625 . . . . 0.0 109.518 -159.164 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.261 32.7 t -110.11 -73.24 0.69 Allowed 'General case' 0 N--CA 1.474 0.735 1 C-N-CA 132.156 4.182 . . . . 0.0 111.695 169.895 . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.31 147.91 34.09 Favored 'General case' 0 N--CA 1.477 0.897 1 C-N-CA 131.891 4.076 . . . . 0.0 114.525 177.103 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.368 0.2 OUTLIER -45.6 90.18 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.614 1 C-N-CA 132.853 4.461 . . . . 0.0 119.426 164.838 . . . . . . . . 4 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.259 0.0 OUTLIER -108.53 15.06 24.15 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 131.33 3.852 . . . . 0.0 118.585 177.932 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -67.6 7.8 0.44 Allowed 'General case' 0 CA--C 1.553 1.088 1 C-N-CA 133.043 4.537 . . . . 0.0 116.487 161.019 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -65.83 -32.39 73.88 Favored 'General case' 0 N--CA 1.479 1.019 1 C-N-CA 133.784 4.834 . . . . 0.0 117.182 152.528 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.38 -15.64 58.48 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 129.346 3.058 . . . . 0.0 115.729 167.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.687 ' HA ' HG21 ' A' ' 13' ' ' THR 0.25 0.7 OUTLIER -75.58 -45.36 38.09 Favored 'General case' 0 C--N 1.346 0.436 0 C-N-CA 130.977 3.711 . . . . 0.0 115.458 149.67 . . . . . . . . 4 4 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.44 -8.56 19.63 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 120.646 3.573 . . . . 0.0 120.646 -177.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.46 0.7 OUTLIER -91.63 -58.08 3.84 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 2 CA-C-O 110.645 -4.502 . . . . 0.0 113.473 156.739 . . . . . . . . 4 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.687 HG21 ' HA ' ' A' ' 10' ' ' LEU 0.553 0.3 OUTLIER -48.42 -59.91 3.1 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 130.671 3.588 . . . . 0.0 120.422 179.893 . . . . . . . . 4 4 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.39 0.0 OUTLIER -53.29 -26.77 19.68 Favored 'General case' 0 N--CA 1.472 0.669 1 C-N-CA 141.246 7.819 . . . . 0.0 121.659 155.492 . . . . . . . . 4 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -100.21 -31.96 5.71 Favored Glycine 0 C--N 1.333 0.383 1 CA-C-O 111.685 -4.953 . . . . 0.0 115.894 -160.543 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.484 ' H ' HD11 ' A' ' 16' ' ' ILE 0.56 0.1 OUTLIER -59.11 -31.63 46.27 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 CA-C-O 114.07 -2.871 . . . . 0.0 117.869 147.18 . . . . . . . . 4 4 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -77.91 -38.77 25.08 Favored 'Isoleucine or valine' 0 C--N 1.357 0.898 0 C-N-CA 131.026 3.73 . . . . 0.0 114.873 170.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.6 mtp -66.05 -36.64 83.78 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-O 113.763 -3.018 . . . . 0.0 117.393 161.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 34.5 mtt -67.55 -23.5 65.43 Favored 'General case' 0 C--N 1.346 0.442 0 CA-C-O 113.735 -3.031 . . . . 0.0 116.964 171.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.532 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 1.3 p -82.86 -32.84 27.24 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 113.215 -3.279 . . . . 0.0 118.102 164.162 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.337 5.5 mt -74.68 -28.74 60.95 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 112.03 -3.843 . . . . 0.0 117.033 165.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . 0.507 2.0 tp -68.19 -48.96 71.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 131.332 3.853 . . . . 0.0 118.052 170.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.253 67.5 t -72.91 -17.22 18.09 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 1 C-N-CA 133.968 4.907 . . . . 0.0 110.895 171.875 . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.548 ' O ' HG11 ' A' ' 28' ' ' VAL 0.721 1.2 mp -86.92 -35.97 9.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 N-CA-C 120.411 3.486 . . . . 0.0 120.411 164.105 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.496 2.5 m-85 -64.42 -31.73 73.06 Favored 'General case' 0 N--CA 1.476 0.851 1 C-N-CA 134.113 4.965 . . . . 0.0 115.553 164.767 . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -74.43 -10.09 59.23 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 120.154 3.39 . . . . 0.0 120.154 161.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . 0.28 . . -94.98 -28.9 14.91 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 111.787 -3.959 . . . . 0.0 115.976 164.028 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.548 HG11 ' O ' ' A' ' 24' ' ' ILE 0.485 0.7 OUTLIER -96.15 -57.36 4.48 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 C-N-CA 130.056 3.342 . . . . 0.0 116.845 -176.562 . . . . . . . . 4 4 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -69.71 -48.46 59.48 Favored 'General case' 0 N--CA 1.475 0.823 1 C-N-CA 134.501 5.12 . . . . 0.0 115.268 -176.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . 0.257 13.9 t -63.13 172.39 1.86 Allowed 'General case' 0 N--CA 1.474 0.773 1 C-N-CA 134.536 5.134 . . . . 0.0 119.294 151.262 . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.255 41.6 p -62.53 94.84 0.06 Allowed 'General case' 0 N--CA 1.474 0.764 1 C-N-CA 132.812 4.445 . . . . 0.0 115.761 -169.937 . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.71 133.62 40.73 Favored 'General case' 0 N--CA 1.475 0.802 1 C-N-CA 133.727 4.811 . . . . 0.0 117.026 179.025 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . 0.378 0.5 OUTLIER -66.34 101.28 0.27 Allowed Pre-proline 0 CA--C 1.545 0.782 1 C-N-CA 132.002 4.121 . . . . 0.0 117.305 -179.576 . . . . . . . . 4 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . 0.364 11.9 Cg_endo -71.13 -14.72 31.93 Favored 'Trans proline' 0 C--N 1.369 1.613 0 N-CA-C 122.057 3.83 . . . . 0.0 122.057 -174.44 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . 0.301 0.0 OUTLIER -52.71 120.0 5.2 Favored 'General case' 0 N--CA 1.473 0.705 1 C-N-CA 135.388 5.475 . . . . 0.0 119.847 159.998 . . . . . . . . 4 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 . . . . . 0 C--O 1.249 1.062 0 C-N-CA 127.431 2.292 . . . . 0.0 112.919 157.072 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.744 ' HA ' HG22 ' A' ' 13' ' ' THR 0.346 0.7 OUTLIER . . . . . 0 N--CA 1.47 0.532 0 CA-C-O 113.469 -3.158 . . . . 0.0 115.799 . . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.48 -4.16 25.09 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 119.456 3.132 . . . . 0.0 119.456 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.47 ' O ' HD13 ' A' ' 16' ' ' ILE 0.539 0.3 OUTLIER -93.15 -57.12 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 1 CA-C-O 109.184 -5.198 . . . . 0.0 114.773 149.751 . . . . . . . . 5 4 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.744 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.589 0.4 OUTLIER -50.18 -60.66 2.75 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 130.136 3.374 . . . . 0.0 119.714 -176.058 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.418 0.0 OUTLIER -49.79 -28.12 5.88 Favored 'General case' 0 N--CA 1.475 0.803 2 C-N-CA 139.608 7.163 . . . . 0.0 122.79 155.317 . . . . . . . . 4 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -103.56 -32.08 4.65 Favored Glycine 0 CA--C 1.523 0.537 1 CA-C-O 112.925 -4.264 . . . . 0.0 116.695 -159.69 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.47 HD13 ' O ' ' A' ' 12' ' ' ILE 0.554 0.1 OUTLIER -59.71 -27.79 38.78 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 CA-C-O 114.18 -2.819 . . . . 0.0 117.758 144.76 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.323 0.0 OUTLIER -79.95 -36.05 16.63 Favored 'Isoleucine or valine' 0 C--N 1.359 1.013 0 C-N-CA 131.122 3.769 . . . . 0.0 114.851 169.135 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.455 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -68.97 -36.19 77.6 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-O 112.527 -3.606 . . . . 0.0 115.098 163.352 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 10.0 mtt -68.89 -26.11 64.95 Favored 'General case' 0 C--N 1.346 0.418 0 CA-C-O 113.749 -3.024 . . . . 0.0 117.828 171.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.529 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 3.3 p -79.92 -32.66 40.16 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 113.435 -3.174 . . . . 0.0 117.616 165.587 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.338 5.4 mt -76.43 -29.45 57.0 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 111.724 -3.989 . . . . 0.0 116.769 167.344 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.455 HG22 ' O ' ' A' ' 18' ' ' MET 0.512 1.8 tp -70.33 -44.79 77.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 130.987 3.715 . . . . 0.0 118.679 171.024 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.263 87.5 t -75.53 -18.25 15.78 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 1 C-N-CA 134.011 4.925 . . . . 0.0 110.613 172.513 . . . . . . . . 3 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.529 ' HB ' ' O ' ' A' ' 20' ' ' THR 0.716 1.1 mp -87.56 -39.75 13.21 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 N-CA-C 119.638 3.199 . . . . 0.0 119.638 167.02 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.46 3.2 m-30 -59.52 -25.4 64.45 Favored 'General case' 0 N--CA 1.476 0.847 1 C-N-CA 134.499 5.119 . . . . 0.0 117.446 161.802 . . . . . . . . 3 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -78.73 -18.07 54.85 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 129.439 3.096 . . . . 0.0 118.89 164.093 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.88 -16.47 22.86 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.876 2.47 . . . . 0.0 117.08 170.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.477 HG13 ' O ' ' A' ' 24' ' ' ILE 0.418 1.0 OUTLIER . . . . . 0 CA--C 1.542 0.636 0 C-N-CA 130.893 3.677 . . . . 0.0 116.363 178.605 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.748 ' HA ' HG22 ' A' ' 13' ' ' THR 0.322 0.6 OUTLIER . . . . . 0 CA--C 1.537 0.481 0 CA-C-O 113.119 -3.324 . . . . 0.0 115.571 . . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.47 -0.12 0.83 Allowed 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 121.367 3.84 . . . . 0.0 121.367 -177.131 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.363 1.5 mp -112.72 -46.45 5.42 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.801 1 C-N-CA 133.094 4.558 . . . . 0.0 109.507 172.276 . . . . . . . . 3 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.748 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.527 0.3 OUTLIER -61.12 -62.69 1.66 Allowed 'General case' 0 N--CA 1.477 0.879 1 C-N-CA 132.567 4.347 . . . . 0.0 117.345 178.411 . . . . . . . . 5 4 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.403 0.0 OUTLIER -47.35 -31.31 3.85 Favored 'General case' 0 N--CA 1.47 0.56 1 C-N-CA 139.042 6.937 . . . . 0.0 121.195 151.111 . . . . . . . . 4 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -91.89 -30.67 10.06 Favored Glycine 0 CA--C 1.522 0.498 0 CA-C-O 114.272 -3.516 . . . . 0.0 118.769 -168.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . 0.606 1.0 OUTLIER -61.24 -31.54 50.5 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 CA-C-O 113.223 -3.275 . . . . 0.0 117.929 150.925 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.283 0.0 OUTLIER -81.35 -35.86 14.36 Favored 'Isoleucine or valine' 0 C--N 1.357 0.909 1 C-N-CA 132.313 4.245 . . . . 0.0 114.585 173.035 . . . . . . . . 4 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.455 ' O ' HG22 ' A' ' 22' ' ' ILE . 4.3 mtp -71.82 -30.01 65.04 Favored 'General case' 0 C--N 1.356 0.879 0 CA-C-O 112.393 -3.67 . . . . 0.0 118.061 159.036 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 11.9 tpt -71.19 -30.41 66.38 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-O 112.973 -3.394 . . . . 0.0 114.592 170.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.586 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 10.1 p -81.64 -29.99 32.96 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 113.528 -3.13 . . . . 0.0 116.196 176.488 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.321 10.2 mt -74.5 -30.45 61.82 Favored 'General case' 0 N--CA 1.473 0.707 1 CA-C-O 111.162 -4.256 . . . . 0.0 117.715 159.35 . . . . . . . . 3 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.455 HG22 ' O ' ' A' ' 18' ' ' MET 0.517 2.4 tp -72.93 -44.54 57.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 129.869 3.268 . . . . 0.0 118.225 173.034 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.4 t -76.0 -19.7 15.43 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.688 1 C-N-CA 134.655 5.182 . . . . 0.0 110.075 172.397 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.586 ' HB ' ' O ' ' A' ' 20' ' ' THR 0.726 1.1 mp -84.5 -36.91 12.2 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 N-CA-C 120.812 3.634 . . . . 0.0 120.812 162.702 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.548 2.8 m-85 -59.58 -31.73 69.71 Favored 'General case' 0 N--CA 1.476 0.858 1 C-N-CA 133.201 4.6 . . . . 0.0 116.452 163.722 . . . . . . . . 3 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . 0.255 71.3 t60 -70.95 -15.9 62.62 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 121.006 3.706 . . . . 0.0 121.006 160.801 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.78 -17.14 17.83 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 128.18 2.592 . . . . 0.0 116.107 171.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.532 HG13 ' O ' ' A' ' 24' ' ' ILE 0.482 0.7 OUTLIER . . . . . 0 CA--C 1.542 0.649 0 C-N-CA 130.945 3.698 . . . . 0.0 115.357 176.026 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.786 ' HA ' HG22 ' A' ' 13' ' ' THR 0.316 0.6 OUTLIER . . . . . 0 N--CA 1.467 0.387 0 CA-C-O 113.781 -3.009 . . . . 0.0 115.562 . . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.53 -6.01 33.13 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 120.299 3.444 . . . . 0.0 120.299 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.429 ' O ' HD13 ' A' ' 16' ' ' ILE 0.504 0.1 OUTLIER -87.17 -62.01 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.815 1 CA-C-O 109.34 -5.124 . . . . 0.0 115.751 146.656 . . . . . . . . 5 4 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.786 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.549 0.4 OUTLIER -44.91 -60.4 2.08 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 124.617 3.371 . . . . 0.0 120.007 -176.188 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.407 0.0 OUTLIER -52.77 -28.02 20.53 Favored 'General case' 0 N--CA 1.471 0.604 2 C-N-CA 140.994 7.718 . . . . 0.0 122.93 157.696 . . . . . . . . 4 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -103.3 -24.55 7.86 Favored Glycine 0 CA--C 1.525 0.679 0 C-N-CA 129.801 3.572 . . . . 0.0 119.007 -166.018 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.429 HD13 ' O ' ' A' ' 12' ' ' ILE 0.533 0.1 OUTLIER -62.2 -32.51 54.94 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 N-CA-C 117.304 2.335 . . . . 0.0 117.304 144.142 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.339 0.1 OUTLIER -74.05 -33.74 36.71 Favored 'Isoleucine or valine' 0 C--N 1.356 0.868 0 C-N-CA 130.78 3.632 . . . . 0.0 115.496 163.05 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.489 ' O ' HG22 ' A' ' 22' ' ' ILE . 1.8 ttt -71.76 -36.09 70.28 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-O 111.917 -3.896 . . . . 0.0 115.297 165.523 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -65.95 -25.88 67.32 Favored 'General case' 0 C--N 1.344 0.365 0 CA-C-O 111.828 -3.939 . . . . 0.0 115.752 172.111 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.567 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 1.9 p -83.95 -33.86 24.56 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 113.669 -3.062 . . . . 0.0 116.476 173.555 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.0 mp -79.19 -27.14 42.58 Favored 'General case' 0 CA--C 1.55 0.974 1 C-N-CA 132.0 4.12 . . . . 0.0 115.762 169.104 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.489 HG22 ' O ' ' A' ' 18' ' ' MET 0.551 1.9 tp -70.25 -49.08 57.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 1 C-N-CA 132.075 4.15 . . . . 0.0 118.031 167.797 . . . . . . . . 4 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.26 99.9 t -73.56 -17.51 17.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.596 1 C-N-CA 134.352 5.061 . . . . 0.0 110.496 174.094 . . . . . . . . 3 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.567 ' HB ' ' O ' ' A' ' 20' ' ' THR 0.724 1.1 mp -87.53 -36.3 9.48 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 N-CA-C 119.911 3.301 . . . . 0.0 119.911 164.904 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.533 3.1 m-85 -59.08 -36.77 75.67 Favored 'General case' 0 N--CA 1.478 0.974 1 C-N-CA 134.026 4.93 . . . . 0.0 116.024 161.96 . . . . . . . . 3 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -68.93 -9.33 51.34 Favored 'General case' 0 N--CA 1.469 0.513 1 N-CA-C 121.93 4.048 . . . . 0.0 121.93 161.542 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -105.36 -21.28 13.26 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 128.491 2.716 . . . . 0.0 116.619 168.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.538 HG13 ' O ' ' A' ' 24' ' ' ILE 0.488 0.8 OUTLIER . . . . . 0 CA--C 1.541 0.623 0 C-N-CA 130.35 3.46 . . . . 0.0 115.718 178.882 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.773 ' HA ' HG22 ' A' ' 13' ' ' THR 0.338 0.7 OUTLIER . . . . . 0 CA--C 1.534 0.345 0 CA-C-O 112.631 -3.557 . . . . 0.0 115.444 . . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.25 -5.76 3.73 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 121.532 3.901 . . . . 0.0 121.532 -177.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.481 ' O ' HD13 ' A' ' 16' ' ' ILE 0.424 1.2 mp -98.55 -60.49 2.71 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.751 2 CA-C-O 110.357 -4.639 . . . . 0.0 109.987 161.6 . . . . . . . . 4 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.773 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.549 0.4 OUTLIER -46.4 -59.66 2.82 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 131.232 3.813 . . . . 0.0 119.475 179.779 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.464 0.0 OUTLIER -52.43 -31.5 34.74 Favored 'General case' 0 N--CA 1.474 0.745 2 C-N-CA 140.491 7.516 . . . . 0.0 122.762 158.134 . . . . . . . . 4 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -102.83 -24.7 7.97 Favored Glycine 0 CA--C 1.524 0.641 0 CA-C-O 113.476 -3.958 . . . . 0.0 118.332 -164.197 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.481 HD13 ' O ' ' A' ' 12' ' ' ILE 0.557 0.1 OUTLIER -63.14 -29.45 47.25 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.882 0 CA-C-O 114.647 -2.597 . . . . 0.0 117.885 143.001 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.315 0.0 OUTLIER -76.46 -36.25 28.21 Favored 'Isoleucine or valine' 0 C--N 1.357 0.922 0 C-N-CA 130.932 3.693 . . . . 0.0 114.804 166.374 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.466 ' O ' HG22 ' A' ' 22' ' ' ILE . 1.8 mtt -69.36 -36.59 77.01 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 112.873 -3.441 . . . . 0.0 117.99 164.178 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.7 mtt -64.53 -23.61 67.33 Favored 'General case' 0 C--N 1.346 0.419 0 CA-C-O 113.066 -3.35 . . . . 0.0 118.344 165.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.481 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 2.1 p -85.13 -29.19 25.01 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 113.794 -3.003 . . . . 0.0 117.578 167.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.327 5.0 mt -76.45 -30.23 57.26 Favored 'General case' 0 N--CA 1.478 0.929 1 CA-C-O 111.574 -4.06 . . . . 0.0 117.277 163.74 . . . . . . . . 3 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.466 HG22 ' O ' ' A' ' 18' ' ' MET 0.507 1.8 tp -70.41 -45.58 74.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 131.363 3.865 . . . . 0.0 118.174 172.639 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.261 63.4 t -75.48 -18.67 15.84 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 1 C-N-CA 133.912 4.885 . . . . 0.0 110.15 172.451 . . . . . . . . 3 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.544 ' O ' HG13 ' A' ' 28' ' ' VAL 0.728 1.1 mp -84.82 -41.35 15.81 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 N-CA-C 120.699 3.592 . . . . 0.0 120.699 165.087 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.539 2.8 m-30 -55.07 -34.92 64.01 Favored 'General case' 0 N--CA 1.475 0.798 2 C-N-CA 134.377 5.071 . . . . 0.0 115.71 160.546 . . . . . . . . 3 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -69.57 -18.31 63.63 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 120.716 3.599 . . . . 0.0 120.716 165.066 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -101.63 -14.64 17.33 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 129.148 2.979 . . . . 0.0 116.511 172.231 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.544 HG13 ' O ' ' A' ' 24' ' ' ILE 0.468 0.7 OUTLIER . . . . . 0 CA--C 1.541 0.598 0 C-N-CA 130.075 3.35 . . . . 0.0 113.582 173.388 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.729 ' HA ' HG22 ' A' ' 13' ' ' THR 0.364 0.7 OUTLIER . . . . . 0 N--CA 1.468 0.444 0 CA-C-O 112.993 -3.384 . . . . 0.0 116.789 . . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.44 -6.06 6.55 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 121.115 3.746 . . . . 0.0 121.115 -177.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.546 ' O ' HD13 ' A' ' 16' ' ' ILE 0.435 1.3 mp -99.62 -58.67 3.72 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.775 2 CA-C-O 110.111 -4.757 . . . . 0.0 110.073 162.001 . . . . . . . . 4 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.729 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.555 0.3 OUTLIER -47.98 -60.24 2.75 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 130.762 3.625 . . . . 0.0 119.272 178.958 . . . . . . . . 4 4 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.395 0.0 OUTLIER -53.54 -29.0 34.71 Favored 'General case' 0 N--CA 1.475 0.787 2 C-N-CA 140.353 7.461 . . . . 0.0 122.081 157.844 . . . . . . . . 4 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -95.98 -34.54 5.9 Favored Glycine 0 CA--C 1.52 0.35 1 CA-C-O 109.942 -5.921 . . . . 0.0 116.083 -164.155 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.546 HD13 ' O ' ' A' ' 12' ' ' ILE 0.549 0.1 OUTLIER -62.06 -26.15 39.3 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 CA-C-O 113.743 -3.027 . . . . 0.0 117.231 150.586 . . . . . . . . 4 4 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.26 0.0 OUTLIER -80.16 -40.71 20.44 Favored 'Isoleucine or valine' 0 C--N 1.361 1.073 1 C-N-CA 132.041 4.136 . . . . 0.0 115.337 169.556 . . . . . . . . 4 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.463 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -62.65 -36.28 82.33 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 129.842 3.257 . . . . 0.0 117.454 161.141 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 51.1 mtt -72.55 -23.07 60.93 Favored 'General case' 0 C--N 1.345 0.409 0 C-N-CA 130.292 3.437 . . . . 0.0 115.313 174.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.478 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 2.6 p -81.99 -32.85 30.44 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 113.135 -3.317 . . . . 0.0 117.951 162.77 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.268 3.6 mt -76.81 -26.62 54.6 Favored 'General case' 0 N--CA 1.479 0.989 1 C-N-CA 132.09 4.156 . . . . 0.0 116.728 168.519 . . . . . . . . 3 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.463 HG22 ' O ' ' A' ' 18' ' ' MET 0.485 2.3 tp -71.2 -46.02 68.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 1 C-N-CA 131.902 4.081 . . . . 0.0 117.867 169.49 . . . . . . . . 4 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.258 84.8 t -73.78 -19.49 17.73 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 1 C-N-CA 133.462 4.705 . . . . 0.0 110.889 171.361 . . . . . . . . 3 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.515 ' O ' HG13 ' A' ' 28' ' ' VAL 0.747 1.1 mp -85.02 -36.94 11.84 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 N-CA-C 120.877 3.658 . . . . 0.0 120.877 164.907 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.512 2.7 m-85 -63.57 -29.2 70.49 Favored 'General case' 0 N--CA 1.474 0.749 1 C-N-CA 133.54 4.736 . . . . 0.0 117.113 163.756 . . . . . . . . 3 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -72.96 -14.19 61.4 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 120.604 3.557 . . . . 0.0 120.604 160.256 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.75 -20.52 18.17 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 115.23 -2.319 . . . . 0.0 117.102 170.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.515 HG13 ' O ' ' A' ' 24' ' ' ILE 0.442 1.0 OUTLIER . . . . . 0 CA--C 1.54 0.576 0 C-N-CA 130.487 3.515 . . . . 0.0 115.795 178.738 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.749 ' HA ' HG22 ' A' ' 13' ' ' THR 0.365 0.4 OUTLIER . . . . . 0 N--CA 1.468 0.432 0 CA-C-O 113.306 -3.235 . . . . 0.0 115.786 . . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.25 -5.29 6.68 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 120.549 3.537 . . . . 0.0 120.549 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.498 ' O ' HD13 ' A' ' 16' ' ' ILE 0.461 0.7 OUTLIER -95.54 -60.7 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 2 CA-C-O 110.143 -4.741 . . . . 0.0 113.4 157.522 . . . . . . . . 5 4 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.749 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.546 0.4 OUTLIER -46.99 -57.58 4.85 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 130.747 3.619 . . . . 0.0 120.691 178.972 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.431 0.0 OUTLIER -55.03 -28.73 54.42 Favored 'General case' 0 N--CA 1.474 0.752 2 C-N-CA 140.826 7.65 . . . . 0.0 122.095 157.413 . . . . . . . . 4 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -103.43 -24.75 7.7 Favored Glycine 0 CA--C 1.524 0.596 0 CA-C-O 114.131 -3.594 . . . . 0.0 117.869 -162.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.498 HD13 ' O ' ' A' ' 12' ' ' ILE 0.528 0.1 OUTLIER -61.07 -30.02 46.88 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 N-CA-C 117.605 2.446 . . . . 0.0 117.605 143.616 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.298 0.0 OUTLIER -78.57 -34.77 18.14 Favored 'Isoleucine or valine' 0 C--N 1.357 0.895 0 C-N-CA 131.076 3.75 . . . . 0.0 115.114 167.666 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.433 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.5 OUTLIER -65.6 -37.58 87.03 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-O 112.183 -3.77 . . . . 0.0 116.174 161.65 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.0 ttp -69.81 -25.57 63.84 Favored 'General case' 0 C--N 1.347 0.47 0 CA-C-O 112.84 -3.457 . . . . 0.0 114.422 175.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.482 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 1.9 p -83.94 -31.62 25.51 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 113.619 -3.086 . . . . 0.0 116.707 170.117 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.377 5.6 mt -72.85 -34.15 66.59 Favored 'General case' 0 N--CA 1.478 0.958 1 CA-C-O 110.438 -4.601 . . . . 0.0 117.161 162.391 . . . . . . . . 3 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.433 HG22 ' O ' ' A' ' 18' ' ' MET 0.564 2.0 tp -67.3 -45.96 84.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 131.45 3.9 . . . . 0.0 118.231 173.307 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.278 85.4 t -75.54 -20.63 15.96 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 1 C-N-CA 134.265 5.026 . . . . 0.0 110.479 174.628 . . . . . . . . 3 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.555 ' O ' HG13 ' A' ' 28' ' ' VAL 0.726 1.2 mp -83.05 -41.15 16.91 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 N-CA-C 120.437 3.495 . . . . 0.0 120.437 165.148 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.487 2.4 m-85 -59.67 -30.42 68.75 Favored 'General case' 0 N--CA 1.474 0.76 1 C-N-CA 134.252 5.021 . . . . 0.0 116.965 160.769 . . . . . . . . 3 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -76.89 -4.76 45.42 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 120.715 3.598 . . . . 0.0 120.715 159.052 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . 0.309 . . -97.65 -38.88 9.35 Favored 'General case' 0 CA--C 1.534 0.359 1 CA-C-O 109.542 -5.027 . . . . 0.0 115.046 162.634 . . . . . . . . 3 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.555 HG13 ' O ' ' A' ' 24' ' ' ILE 0.482 0.8 OUTLIER . . . . . 0 CA--C 1.543 0.679 0 C-N-CA 129.671 3.188 . . . . 0.0 117.25 -176.926 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.736 ' HA ' HG22 ' A' ' 13' ' ' THR 0.349 0.9 OUTLIER . . . . . 0 CA--C 1.535 0.397 0 CA-C-O 112.106 -3.807 . . . . 0.0 116.303 . . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.69 -3.75 3.55 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 121.677 3.954 . . . . 0.0 121.677 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.464 ' O ' HD13 ' A' ' 16' ' ' ILE 0.438 1.0 OUTLIER -99.63 -61.36 2.36 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 2 CA-C-O 110.172 -4.728 . . . . 0.0 109.603 160.698 . . . . . . . . 5 4 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.736 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.568 0.4 OUTLIER -45.47 -59.29 2.79 Favored 'General case' 0 N--CA 1.48 1.067 1 C-N-CA 131.919 4.088 . . . . 0.0 120.406 -179.875 . . . . . . . . 5 4 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.453 0.0 OUTLIER -53.63 -32.69 52.3 Favored 'General case' 0 N--CA 1.473 0.679 2 C-N-CA 140.687 7.595 . . . . 0.0 122.16 159.174 . . . . . . . . 4 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -101.1 -23.2 9.91 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 130.438 3.875 . . . . 0.0 119.214 -166.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.464 HD13 ' O ' ' A' ' 12' ' ' ILE 0.558 0.1 OUTLIER -63.79 -28.75 45.61 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 CA-C-O 114.7 -2.571 . . . . 0.0 117.658 143.179 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.305 0.0 OUTLIER -78.85 -32.27 15.57 Favored 'Isoleucine or valine' 0 C--N 1.358 0.968 0 C-N-CA 131.666 3.986 . . . . 0.0 114.565 166.29 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.438 ' O ' HG22 ' A' ' 22' ' ' ILE . 2.1 ttt -70.73 -36.38 73.15 Favored 'General case' 0 C--N 1.357 0.917 0 CA-C-O 112.913 -3.422 . . . . 0.0 114.886 164.096 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . 0.343 4.5 mtt -73.52 -20.59 60.62 Favored 'General case' 0 C--N 1.344 0.364 0 CA-C-O 113.666 -3.064 . . . . 0.0 117.288 175.48 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.493 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 3.1 p -81.25 -31.53 33.73 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 113.928 -2.939 . . . . 0.0 118.911 162.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.304 5.3 mt -78.7 -30.25 45.95 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 131.436 3.894 . . . . 0.0 117.041 165.744 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.438 HG22 ' O ' ' A' ' 18' ' ' MET 0.518 2.2 tp -68.41 -43.42 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 1 C-N-CA 131.709 4.004 . . . . 0.0 118.225 169.738 . . . . . . . . 4 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.274 87.9 t -79.55 -17.57 12.94 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.681 1 C-N-CA 134.084 4.954 . . . . 0.0 110.107 173.981 . . . . . . . . 3 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.554 ' O ' HG13 ' A' ' 28' ' ' VAL 0.716 1.1 mp -87.5 -36.62 9.92 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 N-CA-C 120.206 3.41 . . . . 0.0 120.206 165.203 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.509 2.8 m-85 -59.43 -35.44 74.02 Favored 'General case' 0 N--CA 1.478 0.966 1 C-N-CA 134.426 5.09 . . . . 0.0 115.987 160.367 . . . . . . . . 3 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -71.02 -7.1 44.0 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 120.911 3.671 . . . . 0.0 120.911 162.131 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -104.05 -25.29 13.04 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 114.362 -2.733 . . . . 0.0 116.622 166.707 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.554 HG13 ' O ' ' A' ' 24' ' ' ILE 0.504 0.7 OUTLIER . . . . . 0 CA--C 1.541 0.61 0 C-N-CA 129.938 3.295 . . . . 0.0 116.147 179.68 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.775 ' HA ' HG22 ' A' ' 13' ' ' THR 0.335 0.2 OUTLIER . . . . . 0 N--CA 1.47 0.545 0 CA-C-O 114.476 -2.678 . . . . 0.0 116.389 . . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.65 -2.86 10.06 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 120.271 3.434 . . . . 0.0 120.271 -178.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.451 ' O ' HD13 ' A' ' 16' ' ' ILE 0.54 0.2 OUTLIER -88.64 -60.69 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 1 CA-C-O 109.483 -5.056 . . . . 0.0 115.971 146.568 . . . . . . . . 5 4 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.775 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.553 0.3 OUTLIER -45.33 -59.89 2.43 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 130.486 3.514 . . . . 0.0 120.425 -178.153 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.432 0.0 OUTLIER -53.51 -30.36 41.02 Favored 'General case' 0 N--CA 1.473 0.679 2 C-N-CA 140.565 7.546 . . . . 0.0 122.187 157.443 . . . . . . . . 4 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -98.31 -27.36 8.73 Favored Glycine 0 CA--C 1.522 0.531 0 CA-C-O 113.503 -3.943 . . . . 0.0 118.003 -165.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.451 HD13 ' O ' ' A' ' 12' ' ' ILE 0.529 0.1 OUTLIER -63.1 -31.25 51.95 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.883 0 CA-C-O 115.048 -2.406 . . . . 0.0 117.019 147.954 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.294 0.0 OUTLIER -75.02 -33.73 30.13 Favored 'Isoleucine or valine' 0 C--N 1.359 0.988 0 C-N-CA 131.664 3.986 . . . . 0.0 114.958 166.126 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.458 ' O ' HG22 ' A' ' 22' ' ' ILE . 2.4 tmm? -75.4 -33.66 61.0 Favored 'General case' 0 C--N 1.354 0.771 1 CA-C-O 111.686 -4.007 . . . . 0.0 115.545 167.699 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 13.4 mmt -66.2 -27.2 67.81 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-O 113.718 -3.039 . . . . 0.0 116.829 166.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.506 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 3.0 p -81.53 -31.74 32.63 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 113.369 -3.205 . . . . 0.0 117.443 169.376 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.309 5.5 mt -75.76 -28.33 58.42 Favored 'General case' 0 N--CA 1.475 0.806 1 C-N-CA 131.894 4.077 . . . . 0.0 116.987 164.623 . . . . . . . . 3 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.458 HG22 ' O ' ' A' ' 18' ' ' MET 0.512 2.0 tp -71.87 -45.6 64.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 130.329 3.452 . . . . 0.0 117.252 171.94 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.269 90.7 t -74.71 -19.09 16.62 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 1 C-N-CA 133.478 4.711 . . . . 0.0 110.144 173.751 . . . . . . . . 3 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.538 ' O ' HG13 ' A' ' 28' ' ' VAL 0.735 1.1 mp -84.29 -39.76 14.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 N-CA-C 120.862 3.652 . . . . 0.0 120.862 165.756 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.478 2.7 m-85 -61.59 -27.5 68.68 Favored 'General case' 0 N--CA 1.476 0.867 1 C-N-CA 134.43 5.092 . . . . 0.0 117.197 161.864 . . . . . . . . 3 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -74.93 -13.03 60.48 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 120.707 3.595 . . . . 0.0 120.707 159.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.21 -18.55 17.57 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 127.733 2.413 . . . . 0.0 117.07 168.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.538 HG13 ' O ' ' A' ' 24' ' ' ILE 0.461 0.9 OUTLIER . . . . . 0 CA--C 1.538 0.495 0 C-N-CA 130.269 3.427 . . . . 0.0 115.341 179.452 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.785 ' HA ' HG22 ' A' ' 13' ' ' THR 0.334 1.3 tt . . . . . 0 CA--C 1.535 0.37 0 CA-C-O 112.419 -3.657 . . . . 0.0 115.518 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.39 -8.35 5.9 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 121.224 3.786 . . . . 0.0 121.224 178.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.483 ' O ' HD13 ' A' ' 16' ' ' ILE 0.487 0.9 OUTLIER -94.38 -58.69 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 2 CA-C-O 110.18 -4.724 . . . . 0.0 112.943 158.868 . . . . . . . . 5 4 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.785 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.563 0.4 OUTLIER -46.43 -60.23 2.47 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 131.347 3.859 . . . . 0.0 119.766 178.126 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.434 0.0 OUTLIER -53.63 -30.23 41.85 Favored 'General case' 0 N--CA 1.472 0.658 2 C-N-CA 140.173 7.389 . . . . 0.0 122.781 157.471 . . . . . . . . 4 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -102.38 -22.19 9.99 Favored Glycine 0 CA--C 1.525 0.685 0 CA-C-O 113.7 -3.834 . . . . 0.0 118.83 -165.084 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.483 HD13 ' O ' ' A' ' 12' ' ' ILE 0.549 0.1 OUTLIER -62.24 -31.73 52.49 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-O 114.749 -2.548 . . . . 0.0 117.848 142.822 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.291 0.0 OUTLIER -75.99 -33.45 25.05 Favored 'Isoleucine or valine' 0 C--N 1.357 0.932 0 C-N-CA 131.176 3.79 . . . . 0.0 115.686 167.243 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.483 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -75.46 -33.96 60.89 Favored 'General case' 0 C--N 1.355 0.817 1 CA-C-O 111.66 -4.019 . . . . 0.0 115.487 165.99 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 8.5 mmm -65.82 -24.78 66.98 Favored 'General case' 0 C--N 1.347 0.496 0 CA-C-O 113.285 -3.245 . . . . 0.0 117.341 167.408 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.524 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 4.3 p -83.25 -34.69 25.76 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 112.83 -3.462 . . . . 0.0 117.218 169.009 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.329 6.4 mt -73.27 -29.59 62.84 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 131.406 3.882 . . . . 0.0 117.239 164.407 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.483 HG22 ' O ' ' A' ' 18' ' ' MET 0.534 1.7 tp -68.52 -47.04 79.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 130.63 3.572 . . . . 0.0 117.695 170.721 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.262 87.6 t -76.09 -17.11 15.31 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 1 C-N-CA 134.164 4.985 . . . . 0.0 110.581 174.113 . . . . . . . . 3 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.524 ' HB ' ' O ' ' A' ' 20' ' ' THR 0.723 1.1 mp -87.85 -36.94 10.12 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 N-CA-C 120.455 3.502 . . . . 0.0 120.455 165.135 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.504 2.5 m-85 -59.56 -31.56 69.55 Favored 'General case' 0 N--CA 1.477 0.902 1 C-N-CA 134.161 4.984 . . . . 0.0 115.592 161.433 . . . . . . . . 3 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -74.07 -10.68 59.88 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 130.34 3.456 . . . . 0.0 120.24 163.269 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -101.24 -16.4 16.99 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 127.511 2.325 . . . . 0.0 116.504 167.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.505 HG13 ' O ' ' A' ' 24' ' ' ILE 0.51 0.6 OUTLIER . . . . . 0 CA--C 1.543 0.702 0 C-N-CA 130.545 3.538 . . . . 0.0 116.137 179.529 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.738 ' HA ' HG22 ' A' ' 13' ' ' THR 0.347 0.7 OUTLIER . . . . . 0 N--CA 1.469 0.496 0 CA-C-O 113.831 -2.985 . . . . 0.0 116.569 . . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.74 -3.74 10.24 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 120.531 3.53 . . . . 0.0 120.531 178.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.49 ' O ' HD13 ' A' ' 16' ' ' ILE 0.514 0.2 OUTLIER -92.36 -56.81 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 1 CA-C-O 109.726 -4.94 . . . . 0.0 116.151 148.223 . . . . . . . . 5 4 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.738 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.561 0.4 OUTLIER -48.84 -59.71 3.35 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 120.372 3.471 . . . . 0.0 120.372 -177.728 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.422 0.0 OUTLIER -51.63 -29.0 16.01 Favored 'General case' 0 N--CA 1.472 0.666 2 C-N-CA 140.441 7.496 . . . . 0.0 122.408 155.138 . . . . . . . . 4 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -101.83 -23.87 9.02 Favored Glycine 0 CA--C 1.522 0.518 1 CA-C-O 112.899 -4.278 . . . . 0.0 117.964 -163.69 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.49 HD13 ' O ' ' A' ' 12' ' ' ILE 0.547 0.1 OUTLIER -63.11 -30.85 50.69 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 N-CA-C 117.968 2.581 . . . . 0.0 117.968 144.923 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.276 0.0 OUTLIER -77.56 -37.25 24.35 Favored 'Isoleucine or valine' 0 C--N 1.358 0.971 0 C-N-CA 131.394 3.878 . . . . 0.0 115.271 169.328 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.458 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -68.53 -32.0 71.63 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-O 112.412 -3.661 . . . . 0.0 118.37 161.277 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 28.0 mtt -73.52 -22.03 60.22 Favored 'General case' 0 C--N 1.344 0.353 0 CA-C-O 114.086 -2.864 . . . . 0.0 117.253 170.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.462 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 4.7 p -82.98 -30.55 28.14 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 114.183 -2.818 . . . . 0.0 118.442 163.595 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.288 4.5 mt -78.19 -28.35 48.11 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 131.577 3.951 . . . . 0.0 116.744 166.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.458 HG22 ' O ' ' A' ' 18' ' ' MET 0.49 1.8 tp -70.05 -44.04 78.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 131.408 3.883 . . . . 0.0 117.806 170.096 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.268 98.7 t -77.52 -17.05 14.28 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 1 C-N-CA 133.62 4.768 . . . . 0.0 110.696 173.67 . . . . . . . . 3 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.52 ' O ' HG13 ' A' ' 28' ' ' VAL 0.724 1.2 mp -87.88 -36.61 9.69 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 N-CA-C 120.173 3.397 . . . . 0.0 120.173 165.648 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.479 3.2 m-30 -63.57 -28.34 69.87 Favored 'General case' 0 N--CA 1.478 0.949 1 C-N-CA 134.211 5.005 . . . . 0.0 116.483 163.01 . . . . . . . . 3 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -73.62 -13.07 60.94 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 120.621 3.563 . . . . 0.0 120.621 160.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.82 -17.3 17.73 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 128.198 2.599 . . . . 0.0 116.996 170.093 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.52 HG13 ' O ' ' A' ' 24' ' ' ILE 0.477 0.8 OUTLIER . . . . . 0 CA--C 1.54 0.576 0 C-N-CA 130.205 3.402 . . . . 0.0 115.525 178.453 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.794 ' HA ' HG22 ' A' ' 13' ' ' THR 0.29 0.6 OUTLIER . . . . . 0 CA--C 1.533 0.322 0 CA-C-O 113.467 -3.159 . . . . 0.0 115.872 . . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.04 -4.25 27.66 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 119.716 3.228 . . . . 0.0 119.716 -178.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.518 ' O ' HD13 ' A' ' 16' ' ' ILE 0.512 0.2 OUTLIER -90.49 -56.27 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 1 CA-C-O 110.353 -4.641 . . . . 0.0 116.479 148.588 . . . . . . . . 5 4 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.794 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.537 0.4 OUTLIER -51.37 -58.54 5.96 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 129.872 3.269 . . . . 0.0 119.647 -176.187 . . . . . . . . 4 4 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.446 0.0 OUTLIER -51.31 -31.8 22.9 Favored 'General case' 0 N--CA 1.473 0.718 2 C-N-CA 140.386 7.474 . . . . 0.0 122.496 154.077 . . . . . . . . 4 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -95.61 -25.45 13.53 Favored Glycine 0 C--N 1.336 0.549 0 CA-C-O 113.66 -3.856 . . . . 0.0 119.21 -167.693 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.518 HD13 ' O ' ' A' ' 12' ' ' ILE 0.556 0.1 OUTLIER -62.3 -29.74 47.36 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.849 0 N-CA-C 118.062 2.615 . . . . 0.0 118.062 145.846 . . . . . . . . 4 4 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.28 0.0 OUTLIER -78.2 -37.42 22.33 Favored 'Isoleucine or valine' 0 C--N 1.358 0.962 0 C-N-CA 131.577 3.951 . . . . 0.0 114.942 168.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.427 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -63.99 -37.6 88.0 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 112.858 -3.448 . . . . 0.0 117.12 160.26 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 5.8 mtp -69.76 -22.65 63.34 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-O 113.113 -3.327 . . . . 0.0 117.147 173.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.499 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 2.0 p -84.02 -31.38 25.47 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 113.774 -3.012 . . . . 0.0 118.129 164.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.293 4.6 mt -78.79 -24.55 44.54 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 131.431 3.893 . . . . 0.0 116.834 166.439 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.427 HG22 ' O ' ' A' ' 18' ' ' MET 0.484 2.6 tp -74.51 -44.62 47.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 131.012 3.725 . . . . 0.0 118.09 170.622 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.267 86.2 t -75.35 -16.74 15.85 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.716 1 C-N-CA 133.685 4.794 . . . . 0.0 110.672 170.788 . . . . . . . . 3 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.503 ' O ' HG13 ' A' ' 28' ' ' VAL 0.724 1.2 mp -88.33 -34.66 7.26 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 N-CA-C 120.026 3.343 . . . . 0.0 120.026 164.544 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.538 3.0 m-30 -64.74 -30.67 71.68 Favored 'General case' 0 N--CA 1.474 0.734 1 C-N-CA 133.356 4.662 . . . . 0.0 116.847 164.669 . . . . . . . . 3 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -72.2 -14.11 61.71 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 120.339 3.459 . . . . 0.0 120.339 161.085 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.51 -15.6 18.61 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 127.81 2.444 . . . . 0.0 116.549 171.517 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.503 HG13 ' O ' ' A' ' 24' ' ' ILE 0.449 1.0 OUTLIER . . . . . 0 CA--C 1.541 0.611 0 C-N-CA 131.16 3.784 . . . . 0.0 115.522 179.142 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.747 ' HA ' HG22 ' A' ' 13' ' ' THR 0.337 0.7 OUTLIER . . . . . 0 N--CA 1.466 0.361 0 CA-C-O 113.345 -3.217 . . . . 0.0 115.52 . . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.87 -8.23 20.89 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 120.365 3.469 . . . . 0.0 120.365 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.467 ' O ' HD13 ' A' ' 16' ' ' ILE 0.459 0.9 OUTLIER -91.26 -60.68 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 2 CA-C-O 110.887 -4.387 . . . . 0.0 113.729 154.354 . . . . . . . . 5 4 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.747 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.553 0.3 OUTLIER -46.31 -59.96 2.61 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 130.74 3.616 . . . . 0.0 120.381 -178.604 . . . . . . . . 4 4 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.411 0.0 OUTLIER -52.51 -32.74 41.79 Favored 'General case' 0 N--CA 1.471 0.61 2 C-N-CA 140.847 7.659 . . . . 0.0 122.03 156.614 . . . . . . . . 4 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.521 ' HA2' ' HB3' ' A' ' 18' ' ' MET . . . -96.85 -23.29 15.73 Favored Glycine 0 CA--C 1.523 0.559 0 C-N-CA 130.649 3.976 . . . . 0.0 119.34 -167.26 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.467 HD13 ' O ' ' A' ' 12' ' ' ILE 0.523 0.1 OUTLIER -63.95 -32.58 57.73 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.87 0 CA-C-O 114.963 -2.446 . . . . 0.0 117.437 144.767 . . . . . . . . 4 4 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.299 0.0 OUTLIER -72.89 -38.03 55.78 Favored 'Isoleucine or valine' 0 C--N 1.359 0.981 0 C-N-CA 131.408 3.883 . . . . 0.0 114.455 166.264 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.521 ' HB3' ' HA2' ' A' ' 15' ' ' GLY 0.254 0.8 OUTLIER -66.7 -38.57 87.0 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-O 112.006 -3.854 . . . . 0.0 116.248 164.155 . . . . . . . . 4 4 . 1 . 012 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.34 -25.61 68.38 Favored 'General case' 0 C--N 1.343 0.325 0 CA-C-O 112.569 -3.586 . . . . 0.0 118.574 168.386 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.494 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 1.2 p -84.35 -33.41 23.86 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 114.058 -2.877 . . . . 0.0 116.546 169.645 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.257 10.5 mp -77.72 -30.95 51.96 Favored 'General case' 0 CA--C 1.546 0.813 1 CA-C-O 111.3 -4.19 . . . . 0.0 115.382 171.565 . . . . . . . . 3 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.465 HG22 ' O ' ' A' ' 18' ' ' MET 0.536 2.5 tp -65.64 -50.02 74.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 1 C-N-CA 132.135 4.174 . . . . 0.0 118.765 168.254 . . . . . . . . 4 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.254 84.8 t -72.78 -18.05 18.46 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 1 C-N-CA 133.789 4.836 . . . . 0.0 110.629 175.258 . . . . . . . . 3 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.505 ' O ' HG13 ' A' ' 28' ' ' VAL 0.69 1.2 mp -86.29 -40.36 14.26 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 C-N-CA 129.765 3.226 . . . . 0.0 118.999 165.104 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.549 3.2 m-85 -55.91 -31.69 63.1 Favored 'General case' 0 N--CA 1.474 0.758 2 C-N-CA 133.763 4.825 . . . . 0.0 116.543 161.599 . . . . . . . . 3 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -71.44 -19.18 62.27 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 120.828 3.64 . . . . 0.0 120.828 163.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -102.94 -14.05 16.67 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 129.695 3.198 . . . . 0.0 116.32 175.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.505 HG13 ' O ' ' A' ' 24' ' ' ILE 0.47 0.7 OUTLIER . . . . . 0 CA--C 1.54 0.579 0 C-N-CA 130.604 3.561 . . . . 0.0 113.82 172.368 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.715 ' HA ' HG22 ' A' ' 13' ' ' THR 0.353 0.5 OUTLIER . . . . . 0 CA--C 1.535 0.386 0 CA-C-O 113.791 -3.004 . . . . 0.0 116.663 . . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.09 -3.38 3.61 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 120.006 3.336 . . . . 0.0 120.006 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.484 0.3 OUTLIER -100.31 -51.9 9.25 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 C-N-CA 129.93 3.292 . . . . 0.0 114.159 157.603 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.715 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.567 0.3 OUTLIER -52.58 -62.12 1.85 Allowed 'General case' 0 N--CA 1.481 1.117 1 C-N-CA 132.168 4.187 . . . . 0.0 119.196 178.811 . . . . . . . . 5 4 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.381 0.0 OUTLIER -49.54 -30.05 7.89 Favored 'General case' 0 N--CA 1.471 0.602 1 C-N-CA 139.454 7.101 . . . . 0.0 121.04 151.254 . . . . . . . . 4 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -92.14 -33.99 7.41 Favored Glycine 0 C--N 1.334 0.429 0 C-N-CA 128.768 3.08 . . . . 0.0 117.459 -165.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . 0.602 1.0 OUTLIER -59.31 -33.01 49.7 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 CA-C-O 112.862 -3.447 . . . . 0.0 117.666 152.421 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -78.26 -38.78 23.77 Favored 'Isoleucine or valine' 0 C--N 1.358 0.96 1 C-N-CA 132.133 4.173 . . . . 0.0 114.448 171.168 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.475 ' O ' HG22 ' A' ' 22' ' ' ILE . 2.3 mtt -69.98 -27.33 64.63 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-O 112.43 -3.652 . . . . 0.0 118.831 160.675 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . 0.252 1.6 tpt -73.43 -32.0 64.14 Favored 'General case' 0 C--N 1.347 0.482 0 CA-C-O 113.214 -3.279 . . . . 0.0 115.735 167.236 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.582 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 14.7 p -81.49 -33.36 31.96 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 112.271 -3.728 . . . . 0.0 115.371 178.482 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.414 12.1 mt -65.3 -37.91 88.6 Favored 'General case' 0 N--CA 1.475 0.806 1 CA-C-O 109.52 -5.038 . . . . 0.0 118.393 153.933 . . . . . . . . 3 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.475 HG22 ' O ' ' A' ' 18' ' ' MET 0.578 1.9 tp -67.79 -43.55 86.22 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 CA-C-N 125.282 3.674 . . . . 0.0 119.101 174.032 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 89.7 t -78.79 -19.73 13.06 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 1 C-N-CA 134.144 4.978 . . . . 0.0 109.639 175.718 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.582 ' HB ' ' O ' ' A' ' 20' ' ' THR 0.777 1.1 mp -83.87 -41.01 16.23 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 N-CA-C 120.421 3.489 . . . . 0.0 120.421 164.244 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.502 2.4 m-85 -58.24 -25.14 61.35 Favored 'General case' 0 N--CA 1.477 0.901 1 C-N-CA 133.737 4.815 . . . . 0.0 117.738 161.277 . . . . . . . . 3 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -77.11 -15.18 59.66 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 130.771 3.629 . . . . 0.0 119.684 160.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.06 -15.53 20.96 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 117.916 2.562 . . . . 0.0 117.916 171.279 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.515 HG13 ' O ' ' A' ' 24' ' ' ILE 0.436 0.8 OUTLIER . . . . . 0 CA--C 1.541 0.617 1 C-N-CA 131.96 4.104 . . . . 0.0 114.974 178.78 . . . . . . . . 4 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.741 ' HA ' HG22 ' A' ' 13' ' ' THR 0.303 0.7 OUTLIER . . . . . 0 CA--C 1.534 0.34 1 CA-C-O 111.667 -4.016 . . . . 0.0 114.886 . . . . . . . . . 4 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.32 -4.58 26.82 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 120.186 3.402 . . . . 0.0 120.186 -177.172 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.495 ' O ' HD13 ' A' ' 16' ' ' ILE 0.446 0.8 OUTLIER -96.15 -54.48 7.04 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 2 CA-C-O 110.062 -4.78 . . . . 0.0 113.439 157.05 . . . . . . . . 5 4 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.741 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.562 0.4 OUTLIER -51.43 -60.48 3.09 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 130.521 3.528 . . . . 0.0 119.896 179.813 . . . . . . . . 4 4 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.399 0.0 OUTLIER -53.18 -27.22 20.34 Favored 'General case' 0 N--CA 1.472 0.647 1 C-N-CA 140.711 7.604 . . . . 0.0 121.738 155.752 . . . . . . . . 4 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -95.91 -31.86 7.13 Favored Glycine 0 CA--C 1.521 0.46 1 CA-C-O 112.899 -4.278 . . . . 0.0 117.873 -166.133 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.495 HD13 ' O ' ' A' ' 12' ' ' ILE 0.546 0.1 OUTLIER -60.2 -29.26 43.53 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.808 0 N-CA-C 118.073 2.619 . . . . 0.0 118.073 148.176 . . . . . . . . 4 4 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.33 0.0 OUTLIER -77.18 -37.77 26.4 Favored 'Isoleucine or valine' 0 C--N 1.357 0.909 0 C-N-CA 131.585 3.954 . . . . 0.0 115.641 167.803 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.412 ' O ' HG22 ' A' ' 22' ' ' ILE 0.253 2.5 ttp -67.06 -36.43 82.02 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-O 112.449 -3.644 . . . . 0.0 116.695 161.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 32.2 mtm -65.85 -24.41 66.88 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-O 113.784 -3.007 . . . . 0.0 117.155 169.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.455 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 2.0 p -85.97 -29.91 23.17 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 113.633 -3.08 . . . . 0.0 117.964 166.337 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.302 5.3 mt -75.94 -29.39 58.3 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-O 111.72 -3.991 . . . . 0.0 116.871 162.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.412 HG22 ' O ' ' A' ' 18' ' ' MET 0.526 2.0 tp -69.94 -44.96 78.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 131.105 3.762 . . . . 0.0 118.351 172.459 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.259 67.1 t -76.87 -16.89 14.71 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 1 C-N-CA 134.224 5.01 . . . . 0.0 110.589 172.05 . . . . . . . . 3 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.507 ' O ' HG13 ' A' ' 28' ' ' VAL 0.763 1.1 mp -85.97 -36.63 10.87 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 N-CA-C 121.596 3.925 . . . . 0.0 121.596 163.427 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.46 2.6 m-85 -63.73 -30.69 71.76 Favored 'General case' 0 N--CA 1.477 0.894 1 C-N-CA 134.4 5.08 . . . . 0.0 116.45 161.898 . . . . . . . . 3 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -75.56 -6.99 53.06 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 120.735 3.606 . . . . 0.0 120.735 158.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . 0.336 . . -93.28 -38.4 11.54 Favored 'General case' 0 CA--C 1.537 0.443 1 CA-C-O 109.249 -5.167 . . . . 0.0 115.662 157.916 . . . . . . . . 3 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.507 HG13 ' O ' ' A' ' 24' ' ' ILE 0.537 0.9 OUTLIER . . . . . 0 CA--C 1.54 0.566 0 N-CA-C 118.159 2.651 . . . . 0.0 118.159 -174.668 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.861 ' HA ' HG22 ' A' ' 13' ' ' THR . 0.4 OUTLIER . . . . . 0 CA--C 1.536 0.413 0 CA-C-O 112.845 -3.455 . . . . 0.0 115.335 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.83 -11.67 29.24 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 120.042 3.349 . . . . 0.0 120.042 -176.199 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.522 ' O ' HD13 ' A' ' 16' ' ' ILE 0.515 0.7 OUTLIER -89.66 -55.59 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 1 CA-C-O 109.853 -4.88 . . . . 0.0 115.561 155.007 . . . . . . . . 5 4 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.861 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.551 0.4 OUTLIER -48.65 -59.35 3.6 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 130.496 3.518 . . . . 0.0 119.483 179.535 . . . . . . . . 4 4 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.403 0.0 OUTLIER -53.72 -28.52 34.56 Favored 'General case' 0 N--CA 1.472 0.638 2 C-N-CA 141.243 7.817 . . . . 0.0 122.305 156.242 . . . . . . . . 4 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -98.86 -30.31 6.83 Favored Glycine 0 C--N 1.335 0.481 1 CA-C-O 112.235 -4.647 . . . . 0.0 117.173 -163.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.522 HD13 ' O ' ' A' ' 12' ' ' ILE 0.518 0.1 OUTLIER -60.81 -29.57 45.48 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 CA-C-O 114.682 -2.58 . . . . 0.0 117.477 148.454 . . . . . . . . 4 4 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -78.73 -33.48 16.64 Favored 'Isoleucine or valine' 0 C--N 1.358 0.958 0 C-N-CA 131.173 3.789 . . . . 0.0 114.64 168.639 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.445 ' O ' HG22 ' A' ' 22' ' ' ILE . 2.3 tmm? -72.97 -34.65 66.61 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 112.18 -3.771 . . . . 0.0 115.747 164.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 17.5 mtm -71.02 -23.39 62.16 Favored 'General case' 0 C--N 1.345 0.406 0 CA-C-O 113.359 -3.21 . . . . 0.0 116.994 171.657 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.491 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 3.3 p -79.81 -36.07 37.52 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 113.411 -3.185 . . . . 0.0 117.771 163.664 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.3 4.0 mt -75.34 -27.93 59.4 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 131.058 3.743 . . . . 0.0 116.789 168.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.445 HG22 ' O ' ' A' ' 18' ' ' MET 0.52 2.1 tp -69.18 -45.5 79.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 131.521 3.928 . . . . 0.0 118.192 168.794 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.288 91.1 t -75.8 -18.25 15.56 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 1 C-N-CA 134.116 4.966 . . . . 0.0 111.125 172.375 . . . . . . . . 3 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.506 ' O ' HG13 ' A' ' 28' ' ' VAL 0.749 1.1 mp -86.31 -37.47 11.62 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 N-CA-C 120.798 3.629 . . . . 0.0 120.798 165.08 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.478 2.6 m-85 -61.67 -32.71 72.9 Favored 'General case' 0 N--CA 1.478 0.964 1 C-N-CA 134.725 5.21 . . . . 0.0 115.318 161.635 . . . . . . . . 3 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -73.44 -7.02 50.01 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 120.704 3.594 . . . . 0.0 120.704 161.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -101.59 -28.65 12.4 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 114.019 -2.896 . . . . 0.0 116.634 164.195 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.506 HG13 ' O ' ' A' ' 24' ' ' ILE 0.51 0.7 OUTLIER . . . . . 0 CA--C 1.539 0.543 0 C-N-CA 130.267 3.427 . . . . 0.0 115.706 -179.482 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.821 ' HA ' HG22 ' A' ' 13' ' ' THR 0.302 1.0 OUTLIER . . . . . 0 N--CA 1.468 0.43 0 CA-C-O 113.857 -2.973 . . . . 0.0 115.484 . . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.53 -4.68 9.03 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 120.997 3.703 . . . . 0.0 120.997 -178.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.49 ' O ' HD13 ' A' ' 16' ' ' ILE 0.46 0.8 OUTLIER -95.0 -55.62 5.95 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 2 CA-C-O 109.944 -4.836 . . . . 0.0 113.253 156.365 . . . . . . . . 5 4 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.821 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.569 0.4 OUTLIER -50.89 -61.83 1.98 Allowed 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 130.359 3.463 . . . . 0.0 118.716 -178.747 . . . . . . . . 4 4 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.397 0.0 OUTLIER -52.49 -24.51 8.15 Favored 'General case' 0 N--CA 1.473 0.72 2 C-N-CA 140.768 7.627 . . . . 0.0 122.217 156.52 . . . . . . . . 4 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -100.29 -33.8 5.02 Favored Glycine 0 C--N 1.333 0.396 1 CA-C-O 111.343 -5.143 . . . . 0.0 116.317 -162.297 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.49 HD13 ' O ' ' A' ' 12' ' ' ILE 0.515 0.1 OUTLIER -60.05 -30.52 45.81 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.837 0 O-C-N 127.753 2.678 . . . . 0.0 117.41 148.202 . . . . . . . . 4 4 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.35 0.1 OUTLIER -75.93 -33.47 25.36 Favored 'Isoleucine or valine' 0 C--N 1.357 0.912 0 C-N-CA 130.754 3.622 . . . . 0.0 115.356 165.825 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.464 ' O ' HG22 ' A' ' 22' ' ' ILE 0.285 0.0 OUTLIER -71.42 -38.99 71.36 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-O 113.199 -3.286 . . . . 0.0 117.238 162.393 . . . . . . . . 4 4 . 1 . 016 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.2 mmt -64.39 -19.33 65.43 Favored 'General case' 0 C--N 1.343 0.3 0 CA-C-O 112.958 -3.401 . . . . 0.0 117.157 171.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.508 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 5.1 p -89.45 -35.24 16.11 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 113.929 -2.939 . . . . 0.0 116.588 168.632 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.2 mp -79.46 -25.32 41.94 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 130.655 3.582 . . . . 0.0 115.319 173.136 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.464 HG22 ' O ' ' A' ' 18' ' ' MET 0.494 2.0 tp -68.39 -49.28 67.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 131.51 3.924 . . . . 0.0 118.13 165.552 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.25 90.6 t -72.92 -17.89 18.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 1 C-N-CA 134.238 5.015 . . . . 0.0 111.182 173.689 . . . . . . . . 3 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.508 ' HB ' ' O ' ' A' ' 20' ' ' THR 0.714 1.1 mp -85.46 -36.92 11.55 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 N-CA-C 120.359 3.466 . . . . 0.0 120.359 163.942 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.499 3.1 m-85 -60.59 -28.27 68.36 Favored 'General case' 0 N--CA 1.477 0.901 1 C-N-CA 134.055 4.942 . . . . 0.0 117.475 162.41 . . . . . . . . 3 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -76.63 -13.89 60.02 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 120.606 3.558 . . . . 0.0 120.606 162.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.33 -16.79 19.2 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 128.072 2.549 . . . . 0.0 117.223 168.598 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.508 HG13 ' O ' ' A' ' 24' ' ' ILE 0.464 0.9 OUTLIER . . . . . 0 CA--C 1.542 0.649 0 C-N-CA 131.222 3.809 . . . . 0.0 114.855 178.648 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.718 ' HA ' HG22 ' A' ' 13' ' ' THR 0.361 1.1 tt . . . . . 0 N--CA 1.468 0.452 0 CA-C-O 112.716 -3.516 . . . . 0.0 116.347 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.19 -0.85 1.88 Allowed 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 121.419 3.859 . . . . 0.0 121.419 -178.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.492 ' O ' HD13 ' A' ' 16' ' ' ILE 0.45 1.2 mp -101.87 -58.09 4.1 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 2 CA-C-O 110.049 -4.786 . . . . 0.0 109.475 160.466 . . . . . . . . 4 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.718 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.556 0.4 OUTLIER -50.03 -60.42 2.95 Favored 'General case' 0 N--CA 1.482 1.14 1 C-N-CA 131.731 4.012 . . . . 0.0 119.127 -179.03 . . . . . . . . 5 4 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.427 0.0 OUTLIER -52.06 -29.03 19.52 Favored 'General case' 0 N--CA 1.472 0.67 2 C-N-CA 139.843 7.257 . . . . 0.0 122.745 157.18 . . . . . . . . 4 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -103.32 -26.96 6.69 Favored Glycine 0 CA--C 1.522 0.503 1 CA-C-O 112.413 -4.548 . . . . 0.0 117.631 -163.751 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.492 HD13 ' O ' ' A' ' 12' ' ' ILE 0.544 0.1 OUTLIER -62.92 -29.75 47.92 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.851 0 CA-C-O 114.628 -2.606 . . . . 0.0 117.462 144.406 . . . . . . . . 4 4 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.3 0.0 OUTLIER -74.33 -34.89 38.1 Favored 'Isoleucine or valine' 0 C--N 1.359 1.014 0 C-N-CA 130.428 3.491 . . . . 0.0 115.465 165.123 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -75.72 -34.63 60.36 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 113.017 -3.373 . . . . 0.0 117.342 168.008 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 11.9 mtt -62.97 -28.14 69.88 Favored 'General case' 0 C--N 1.345 0.403 0 CA-C-O 113.448 -3.168 . . . . 0.0 116.774 166.447 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.505 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 4.3 p -80.55 -35.17 34.77 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 113.338 -3.22 . . . . 0.0 116.829 169.545 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.375 6.1 mt -71.39 -31.75 67.65 Favored 'General case' 0 N--CA 1.477 0.921 1 CA-C-O 110.746 -4.455 . . . . 0.0 116.975 164.339 . . . . . . . . 3 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . 0.535 1.7 tp -70.07 -41.82 79.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 131.598 3.959 . . . . 0.0 117.836 171.407 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.261 59.2 t -77.56 -19.02 14.07 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 1 C-N-CA 134.85 5.26 . . . . 0.0 110.792 172.339 . . . . . . . . 3 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.555 ' O ' HG13 ' A' ' 28' ' ' VAL 0.752 1.1 mp -88.13 -43.28 15.36 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 N-CA-C 120.296 3.443 . . . . 0.0 120.296 168.184 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.455 3.3 m-30 -52.91 -35.15 57.86 Favored 'General case' 0 N--CA 1.476 0.865 1 C-N-CA 134.974 5.309 . . . . 0.0 116.449 154.959 . . . . . . . . 3 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . 0.364 79.5 t60 -61.71 -25.16 67.25 Favored 'General case' 0 N--CA 1.469 0.476 1 CA-C-O 107.207 -6.139 . . . . 0.0 119.178 159.919 . . . . . . . . 3 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.29 -16.15 18.59 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 117.017 2.229 . . . . 0.0 117.017 177.193 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.555 HG13 ' O ' ' A' ' 24' ' ' ILE 0.434 0.8 OUTLIER . . . . . 0 CA--C 1.54 0.577 0 C-N-CA 130.47 3.508 . . . . 0.0 113.542 177.596 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.847 ' HA ' HG22 ' A' ' 13' ' ' THR 0.253 0.6 OUTLIER . . . . . 0 CA--C 1.534 0.34 0 CA-C-O 112.075 -3.821 . . . . 0.0 114.14 . . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.65 -8.77 15.69 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 121.037 3.717 . . . . 0.0 121.037 -178.254 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.477 ' O ' HD13 ' A' ' 16' ' ' ILE 0.508 0.8 OUTLIER -92.8 -57.09 4.58 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 1 CA-C-O 110.208 -4.711 . . . . 0.0 113.332 156.969 . . . . . . . . 5 4 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.847 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.555 0.3 OUTLIER -47.45 -59.5 3.18 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 130.866 3.666 . . . . 0.0 119.987 179.531 . . . . . . . . 4 4 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.417 0.0 OUTLIER -53.72 -31.32 47.75 Favored 'General case' 0 N--CA 1.471 0.607 2 C-N-CA 141.376 7.87 . . . . 0.0 122.918 157.621 . . . . . . . . 4 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -101.2 -22.66 10.38 Favored Glycine 0 CA--C 1.522 0.502 0 CA-C-O 113.789 -3.784 . . . . 0.0 118.376 -164.294 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.477 HD13 ' O ' ' A' ' 12' ' ' ILE 0.538 0.1 OUTLIER -63.77 -31.93 55.02 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.828 0 CA-C-O 114.717 -2.563 . . . . 0.0 117.588 144.028 . . . . . . . . 4 4 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.28 0.0 OUTLIER -74.79 -35.7 37.5 Favored 'Isoleucine or valine' 0 C--N 1.359 0.996 0 C-N-CA 131.432 3.893 . . . . 0.0 114.481 166.47 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.436 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -70.31 -36.76 74.5 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 112.156 -3.783 . . . . 0.0 116.8 164.553 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 13.4 mtp -62.16 -27.42 68.94 Favored 'General case' 0 C--N 1.347 0.462 0 CA-C-O 113.282 -3.246 . . . . 0.0 118.278 166.609 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.455 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 2.2 p -83.88 -31.36 25.76 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 114.309 -2.758 . . . . 0.0 117.48 169.635 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.39 5.4 mt -72.82 -36.14 67.46 Favored 'General case' 0 N--CA 1.476 0.868 1 CA-C-O 110.553 -4.546 . . . . 0.0 116.432 162.554 . . . . . . . . 3 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.436 HG22 ' O ' ' A' ' 18' ' ' MET 0.569 1.7 tp -64.73 -44.11 96.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 131.26 3.824 . . . . 0.0 118.649 173.094 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.264 90.7 t -78.13 -20.11 13.56 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 1 C-N-CA 133.812 4.845 . . . . 0.0 110.107 175.596 . . . . . . . . 3 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.558 ' O ' HG13 ' A' ' 28' ' ' VAL 0.714 1.2 mp -84.89 -40.58 15.16 Favored 'Isoleucine or valine' 0 C--N 1.351 0.64 0 N-CA-C 119.838 3.273 . . . . 0.0 119.838 166.912 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.504 2.3 m-85 -56.66 -34.86 67.75 Favored 'General case' 0 N--CA 1.472 0.661 2 C-N-CA 134.016 4.926 . . . . 0.0 116.938 160.271 . . . . . . . . 3 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -71.27 -10.49 59.85 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 121.128 3.751 . . . . 0.0 121.128 160.598 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -101.82 -21.03 14.68 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 114.797 -2.525 . . . . 0.0 117.045 166.615 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 24' ' ' ILE 0.49 0.9 OUTLIER . . . . . 0 CA--C 1.539 0.541 0 C-N-CA 129.323 3.049 . . . . 0.0 116.34 178.626 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.726 ' HA ' HG22 ' A' ' 13' ' ' THR 0.371 0.4 OUTLIER . . . . . 0 N--CA 1.469 0.512 0 CA-C-O 113.204 -3.284 . . . . 0.0 116.08 . . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.25 -6.5 9.8 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 120.628 3.566 . . . . 0.0 120.628 179.398 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.522 ' O ' HD13 ' A' ' 16' ' ' ILE 0.444 0.7 OUTLIER -92.97 -59.7 2.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 1 CA-C-O 110.45 -4.595 . . . . 0.0 113.237 155.446 . . . . . . . . 5 4 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.726 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.548 0.3 OUTLIER -49.17 -61.85 1.85 Allowed 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 130.567 3.547 . . . . 0.0 119.917 -179.282 . . . . . . . . 4 4 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.38 0.0 OUTLIER -49.57 -28.01 5.14 Favored 'General case' 0 N--CA 1.473 0.682 2 C-N-CA 139.957 7.303 . . . . 0.0 122.176 154.189 . . . . . . . . 4 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -97.78 -32.62 6.15 Favored Glycine 0 C--N 1.334 0.452 1 CA-C-O 111.052 -5.304 . . . . 0.0 117.025 -164.656 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.522 HD13 ' O ' ' A' ' 12' ' ' ILE 0.535 0.1 OUTLIER -58.82 -31.28 44.51 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 CA-C-O 114.732 -2.556 . . . . 0.0 117.506 147.199 . . . . . . . . 4 4 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.337 0.0 OUTLIER -76.26 -35.68 28.31 Favored 'Isoleucine or valine' 0 C--N 1.357 0.926 0 C-N-CA 131.143 3.777 . . . . 0.0 115.344 167.318 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.424 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.5 OUTLIER -71.0 -37.05 72.67 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 113.221 -3.276 . . . . 0.0 115.65 164.882 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.5 mtp -68.75 -22.81 64.28 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 129.847 3.259 . . . . 0.0 117.216 175.439 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.514 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 2.0 p -80.51 -35.77 34.17 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 113.457 -3.163 . . . . 0.0 117.779 162.595 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.7 mp -79.31 -26.56 42.22 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 131.076 3.751 . . . . 0.0 115.952 173.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.424 HG22 ' O ' ' A' ' 18' ' ' MET 0.476 1.9 tp -68.1 -49.32 68.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 1 C-N-CA 133.031 4.533 . . . . 0.0 118.102 166.019 . . . . . . . . 4 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.256 91.5 t -72.46 -18.19 18.87 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 1 C-N-CA 133.79 4.836 . . . . 0.0 110.689 173.172 . . . . . . . . 3 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.514 ' HB ' ' O ' ' A' ' 20' ' ' THR 0.711 1.1 mp -86.49 -37.54 11.59 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 N-CA-C 120.007 3.336 . . . . 0.0 120.007 165.139 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.514 3.2 m-85 -59.23 -30.65 68.4 Favored 'General case' 0 N--CA 1.476 0.847 1 C-N-CA 133.916 4.886 . . . . 0.0 116.379 161.668 . . . . . . . . 3 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -77.07 -12.37 59.93 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 120.114 3.376 . . . . 0.0 120.114 164.6 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.09 -16.95 18.46 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 128.01 2.524 . . . . 0.0 116.984 167.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 24' ' ' ILE 0.474 0.8 OUTLIER . . . . . 0 CA--C 1.541 0.619 0 C-N-CA 130.508 3.523 . . . . 0.0 114.764 177.307 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.851 ' HA ' HG22 ' A' ' 13' ' ' THR 0.25 0.7 OUTLIER . . . . . 0 CA--C 1.535 0.388 0 CA-C-O 112.667 -3.54 . . . . 0.0 115.458 . . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.44 -8.56 19.63 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 120.646 3.573 . . . . 0.0 120.646 -177.128 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.518 ' O ' HD13 ' A' ' 16' ' ' ILE 0.46 0.7 OUTLIER -91.63 -58.08 3.84 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 2 CA-C-O 110.645 -4.502 . . . . 0.0 113.473 156.739 . . . . . . . . 5 4 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.851 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.553 0.3 OUTLIER -48.42 -59.91 3.1 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 130.671 3.588 . . . . 0.0 120.422 179.893 . . . . . . . . 4 4 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.39 0.0 OUTLIER -53.29 -26.77 19.68 Favored 'General case' 0 N--CA 1.472 0.669 1 C-N-CA 141.246 7.819 . . . . 0.0 121.659 155.492 . . . . . . . . 4 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -100.21 -31.96 5.71 Favored Glycine 0 C--N 1.333 0.383 1 CA-C-O 111.685 -4.953 . . . . 0.0 115.894 -160.543 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.518 HD13 ' O ' ' A' ' 12' ' ' ILE 0.56 0.1 OUTLIER -59.11 -31.63 46.27 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 CA-C-O 114.07 -2.871 . . . . 0.0 117.869 147.18 . . . . . . . . 4 4 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -77.91 -38.77 25.08 Favored 'Isoleucine or valine' 0 C--N 1.357 0.898 0 C-N-CA 131.026 3.73 . . . . 0.0 114.873 170.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.434 ' O ' HG22 ' A' ' 22' ' ' ILE . 1.6 mtp -66.05 -36.64 83.78 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-O 113.763 -3.018 . . . . 0.0 117.393 161.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 34.5 mtt -67.55 -23.5 65.43 Favored 'General case' 0 C--N 1.346 0.442 0 CA-C-O 113.735 -3.031 . . . . 0.0 116.964 171.228 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.498 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 1.3 p -82.86 -32.84 27.24 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 113.215 -3.279 . . . . 0.0 118.102 164.162 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.337 5.5 mt -74.68 -28.74 60.95 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 112.03 -3.843 . . . . 0.0 117.033 165.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.434 HG22 ' O ' ' A' ' 18' ' ' MET 0.507 2.0 tp -68.19 -48.96 71.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 131.332 3.853 . . . . 0.0 118.052 170.478 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.253 67.5 t -72.91 -17.22 18.09 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 1 C-N-CA 133.968 4.907 . . . . 0.0 110.895 171.875 . . . . . . . . 3 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.533 ' O ' HG13 ' A' ' 28' ' ' VAL 0.721 1.2 mp -86.92 -35.97 9.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 N-CA-C 120.411 3.486 . . . . 0.0 120.411 164.105 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.496 2.5 m-85 -64.42 -31.73 73.06 Favored 'General case' 0 N--CA 1.476 0.851 1 C-N-CA 134.113 4.965 . . . . 0.0 115.553 164.767 . . . . . . . . 3 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -74.43 -10.09 59.23 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 120.154 3.39 . . . . 0.0 120.154 161.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . 0.28 . . -94.98 -28.9 14.91 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 111.787 -3.959 . . . . 0.0 115.976 164.028 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.533 HG13 ' O ' ' A' ' 24' ' ' ILE 0.485 0.7 OUTLIER . . . . . 0 CA--C 1.542 0.648 0 C-N-CA 130.056 3.342 . . . . 0.0 116.845 -176.562 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 109.84 -0.429 . . . . 0.0 109.84 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.312 2.3 pp -132.42 138.2 52.72 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.957 1 C-N-CA 132.563 4.345 . . . . 0.0 110.233 171.811 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.475 13.5 m 51.32 -169.4 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.38 2 C-N-CA 135.67 5.588 . . . . 0.0 123.42 -174.154 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . 0.308 0.3 OUTLIER -71.34 102.45 2.61 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 129.504 3.121 . . . . 0.0 116.302 155.435 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -141.49 137.19 31.92 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 131.399 3.88 . . . . 0.0 116.115 174.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.289 0.0 OUTLIER -52.08 -5.24 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.9 2 C-N-CA 134.563 5.145 . . . . 0.0 121.837 159.369 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.419 ' O ' ' HB3' ' A' ' 10' ' ' LEU 0.287 2.8 mm? -57.18 -3.69 0.16 Allowed 'General case' 0 CA--C 1.546 0.812 1 C-N-CA 133.119 4.568 . . . . 0.0 118.823 168.525 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -51.06 -12.88 0.13 Allowed 'General case' 0 N--CA 1.478 0.943 1 C-N-CA 134.203 5.001 . . . . 0.0 118.47 148.38 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.8 m -65.99 -15.01 62.63 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 130.146 3.379 . . . . 0.0 118.567 156.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.744 ' HA ' HG22 ' A' ' 13' ' ' THR 0.346 0.7 OUTLIER -67.18 -43.33 82.45 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 131.689 3.995 . . . . 0.0 115.799 151.378 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.48 -4.16 25.09 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 119.456 3.132 . . . . 0.0 119.456 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.47 ' O ' HD13 ' A' ' 16' ' ' ILE 0.539 0.3 OUTLIER -93.15 -57.12 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 1 CA-C-O 109.184 -5.198 . . . . 0.0 114.773 149.751 . . . . . . . . 5 4 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.744 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.589 0.4 OUTLIER -50.18 -60.66 2.75 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 130.136 3.374 . . . . 0.0 119.714 -176.058 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.418 0.0 OUTLIER -49.79 -28.12 5.88 Favored 'General case' 0 N--CA 1.475 0.803 2 C-N-CA 139.608 7.163 . . . . 0.0 122.79 155.317 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -103.56 -32.08 4.65 Favored Glycine 0 CA--C 1.523 0.537 1 CA-C-O 112.925 -4.264 . . . . 0.0 116.695 -159.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.47 HD13 ' O ' ' A' ' 12' ' ' ILE 0.554 0.1 OUTLIER -59.71 -27.79 38.78 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 CA-C-O 114.18 -2.819 . . . . 0.0 117.758 144.76 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.323 0.0 OUTLIER -79.95 -36.05 16.63 Favored 'Isoleucine or valine' 0 C--N 1.359 1.013 0 C-N-CA 131.122 3.769 . . . . 0.0 114.851 169.135 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.455 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -68.97 -36.19 77.6 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-O 112.527 -3.606 . . . . 0.0 115.098 163.352 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 10.0 mtt -68.89 -26.11 64.95 Favored 'General case' 0 C--N 1.346 0.418 0 CA-C-O 113.749 -3.024 . . . . 0.0 117.828 171.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.529 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 3.3 p -79.92 -32.66 40.16 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 113.435 -3.174 . . . . 0.0 117.616 165.587 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.338 5.4 mt -76.43 -29.45 57.0 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 111.724 -3.989 . . . . 0.0 116.769 167.344 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.455 HG22 ' O ' ' A' ' 18' ' ' MET 0.512 1.8 tp -70.33 -44.79 77.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 130.987 3.715 . . . . 0.0 118.679 171.024 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.263 87.5 t -75.53 -18.25 15.78 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 1 C-N-CA 134.011 4.925 . . . . 0.0 110.613 172.513 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.529 ' HB ' ' O ' ' A' ' 20' ' ' THR 0.716 1.1 mp -87.56 -39.75 13.21 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 N-CA-C 119.638 3.199 . . . . 0.0 119.638 167.02 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.46 3.2 m-30 -59.52 -25.4 64.45 Favored 'General case' 0 N--CA 1.476 0.847 1 C-N-CA 134.499 5.119 . . . . 0.0 117.446 161.802 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -78.73 -18.07 54.85 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 129.439 3.096 . . . . 0.0 118.89 164.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.88 -16.47 22.86 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.876 2.47 . . . . 0.0 117.08 170.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.477 HG13 ' O ' ' A' ' 24' ' ' ILE 0.418 1.0 OUTLIER -101.98 -54.79 6.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 130.893 3.677 . . . . 0.0 116.363 178.605 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -85.53 -57.62 2.99 Favored 'General case' 0 CA--C 1.546 0.807 1 C-N-CA 134.026 4.93 . . . . 0.0 114.507 -173.596 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.07 -176.49 2.56 Favored 'General case' 0 N--CA 1.479 1.009 1 C-N-CA 134.046 4.938 . . . . 0.0 119.188 153.256 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 87.7 m -73.9 132.06 42.1 Favored 'General case' 0 N--CA 1.483 1.177 1 C-N-CA 132.296 4.238 . . . . 0.0 116.303 172.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -49.01 107.79 0.15 Allowed 'General case' 0 N--CA 1.474 0.747 1 C-N-CA 132.702 4.401 . . . . 0.0 118.49 168.084 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . 0.34 0.3 OUTLIER -95.29 94.8 1.43 Allowed Pre-proline 0 CA--C 1.536 0.429 2 CA-C-N 103.356 -6.293 . . . . 0.0 116.686 161.711 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . 0.288 19.1 Cg_endo -82.77 134.36 7.3 Favored 'Trans proline' 0 C--N 1.361 1.219 0 C-N-CA 125.161 3.907 . . . . 0.0 121.115 148.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? -74.34 -42.57 59.19 Favored 'General case' 0 N--CA 1.477 0.886 1 C-N-CA 134.223 5.009 . . . . 0.0 114.596 173.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . 0.394 0.1 OUTLIER . . . . . 0 C--O 1.25 1.105 0 C-N-CA 127.756 2.422 . . . . 0.0 109.028 -171.302 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 0.401 8.8 ptm . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 115.36 -2.257 . . . . 0.0 116.93 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.384 1.2 pp -126.94 159.63 36.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 130.559 3.544 . . . . 0.0 114.315 -158.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.321 21.4 m -66.19 88.72 0.12 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 128.426 2.691 . . . . 0.0 117.442 170.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -127.59 -177.42 4.09 Favored 'General case' 0 CA--C 1.552 1.049 2 C-N-CA 133.958 4.903 . . . . 0.0 112.425 167.468 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -45.06 146.25 0.88 Allowed 'General case' 0 N--CA 1.482 1.172 2 C-N-CA 134.485 5.114 . . . . 0.0 123.438 150.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.369 4.0 pt20 -51.38 -13.5 0.21 Allowed 'General case' 0 N--CA 1.48 1.066 1 C-N-CA 135.808 5.643 . . . . 0.0 121.463 173.475 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -47.82 8.14 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.034 1 C-N-CA 136.471 5.909 . . . . 0.0 120.858 157.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -62.25 -19.79 63.58 Favored 'General case' 0 N--CA 1.476 0.844 1 C-N-CA 134.013 4.925 . . . . 0.0 118.076 142.025 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.47 -14.38 60.85 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 130.012 3.325 . . . . 0.0 119.447 155.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.748 ' HA ' HG22 ' A' ' 13' ' ' THR 0.322 0.6 OUTLIER -72.13 -48.35 44.32 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-O 113.119 -3.324 . . . . 0.0 115.571 149.385 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.47 -0.12 0.83 Allowed 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 121.367 3.84 . . . . 0.0 121.367 -177.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.363 1.5 mp -112.72 -46.45 5.42 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.801 1 C-N-CA 133.094 4.558 . . . . 0.0 109.507 172.276 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.748 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.527 0.3 OUTLIER -61.12 -62.69 1.66 Allowed 'General case' 0 N--CA 1.477 0.879 1 C-N-CA 132.567 4.347 . . . . 0.0 117.345 178.411 . . . . . . . . 5 4 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.403 0.0 OUTLIER -47.35 -31.31 3.85 Favored 'General case' 0 N--CA 1.47 0.56 1 C-N-CA 139.042 6.937 . . . . 0.0 121.195 151.111 . . . . . . . . 4 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -91.89 -30.67 10.06 Favored Glycine 0 CA--C 1.522 0.498 0 CA-C-O 114.272 -3.516 . . . . 0.0 118.769 -168.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . 0.606 1.0 OUTLIER -61.24 -31.54 50.5 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 CA-C-O 113.223 -3.275 . . . . 0.0 117.929 150.925 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.283 0.0 OUTLIER -81.35 -35.86 14.36 Favored 'Isoleucine or valine' 0 C--N 1.357 0.909 1 C-N-CA 132.313 4.245 . . . . 0.0 114.585 173.035 . . . . . . . . 4 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.455 ' O ' HG22 ' A' ' 22' ' ' ILE . 4.3 mtp -71.82 -30.01 65.04 Favored 'General case' 0 C--N 1.356 0.879 0 CA-C-O 112.393 -3.67 . . . . 0.0 118.061 159.036 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 11.9 tpt -71.19 -30.41 66.38 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-O 112.973 -3.394 . . . . 0.0 114.592 170.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.586 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 10.1 p -81.64 -29.99 32.96 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 113.528 -3.13 . . . . 0.0 116.196 176.488 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.321 10.2 mt -74.5 -30.45 61.82 Favored 'General case' 0 N--CA 1.473 0.707 1 CA-C-O 111.162 -4.256 . . . . 0.0 117.715 159.35 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.455 HG22 ' O ' ' A' ' 18' ' ' MET 0.517 2.4 tp -72.93 -44.54 57.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 129.869 3.268 . . . . 0.0 118.225 173.034 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.4 t -76.0 -19.7 15.43 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.688 1 C-N-CA 134.655 5.182 . . . . 0.0 110.075 172.397 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.586 ' HB ' ' O ' ' A' ' 20' ' ' THR 0.726 1.1 mp -84.5 -36.91 12.2 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 N-CA-C 120.812 3.634 . . . . 0.0 120.812 162.702 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.548 2.8 m-85 -59.58 -31.73 69.71 Favored 'General case' 0 N--CA 1.476 0.858 1 C-N-CA 133.201 4.6 . . . . 0.0 116.452 163.722 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . 0.255 71.3 t60 -70.95 -15.9 62.62 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 121.006 3.706 . . . . 0.0 121.006 160.801 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.78 -17.14 17.83 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 128.18 2.592 . . . . 0.0 116.107 171.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.532 HG13 ' O ' ' A' ' 24' ' ' ILE 0.482 0.7 OUTLIER -100.87 -55.93 5.58 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 C-N-CA 130.945 3.698 . . . . 0.0 115.357 176.026 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -76.92 -47.46 20.98 Favored 'General case' 0 CA--C 1.546 0.809 1 C-N-CA 134.193 4.997 . . . . 0.0 116.471 -177.538 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.67 146.56 23.57 Favored 'General case' 0 N--CA 1.477 0.888 1 C-N-CA 133.516 4.726 . . . . 0.0 115.691 168.597 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.316 32.8 m -75.24 92.57 2.75 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 130.741 3.616 . . . . 0.0 113.442 -156.143 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.3 mtm -150.41 170.33 19.31 Favored 'General case' 0 N--CA 1.477 0.897 1 C-N-CA 135.871 5.668 . . . . 0.0 114.115 -169.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . 0.286 75.6 p -50.76 108.52 1.05 Allowed Pre-proline 0 N--CA 1.479 1.022 1 C-N-CA 133.372 4.669 . . . . 0.0 120.276 175.582 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . 0.429 12.2 Cg_endo -80.55 102.34 1.4 Allowed 'Trans proline' 0 C--N 1.371 1.719 1 N-CA-C 123.736 4.475 . . . . 0.0 123.736 -174.563 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.02 128.46 20.08 Favored 'General case' 0 N--CA 1.484 1.225 1 C-N-CA 134.217 5.007 . . . . 0.0 113.9 177.581 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . 0.587 1.5 m-80 . . . . . 0 C--O 1.249 1.053 1 C-N-CA 137.362 6.265 . . . . 0.0 106.631 133.713 . . . . . . . . 2 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 120.857 0.36 . . . . 0.0 110.739 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.434 4.2 pt -117.94 91.7 1.9 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 C-N-CA 129.538 3.135 . . . . 0.0 110.06 175.111 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.323 63.3 m -124.44 -76.23 0.59 Allowed 'General case' 0 N--CA 1.477 0.88 0 CA-C-O 112.909 -3.424 . . . . 0.0 115.437 173.179 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -118.17 95.03 4.72 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 129.438 3.095 . . . . 0.0 110.346 -170.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.359 0.4 OUTLIER -144.78 128.46 17.19 Favored 'General case' 0 N--CA 1.471 0.603 1 C-N-CA 132.32 4.248 . . . . 0.0 114.277 -177.163 . . . . . . . . 4 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.299 2.7 pm0 -80.45 1.68 28.23 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 131.662 3.985 . . . . 0.0 120.152 155.536 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.64 2.91 0.39 Allowed 'General case' 0 CA--C 1.548 0.895 1 C-N-CA 132.665 4.386 . . . . 0.0 119.867 167.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -55.53 -14.29 1.98 Allowed 'General case' 0 N--CA 1.478 0.935 1 C-N-CA 133.088 4.555 . . . . 0.0 118.791 151.256 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 61.5 m -62.75 -11.87 20.4 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 130.556 3.543 . . . . 0.0 120.111 155.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.786 ' HA ' HG22 ' A' ' 13' ' ' THR 0.316 0.6 OUTLIER -72.82 -43.61 62.48 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 130.48 3.512 . . . . 0.0 115.562 151.546 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.53 -6.01 33.13 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 120.299 3.444 . . . . 0.0 120.299 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.429 ' O ' HD13 ' A' ' 16' ' ' ILE 0.504 0.1 OUTLIER -87.17 -62.01 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.815 1 CA-C-O 109.34 -5.124 . . . . 0.0 115.751 146.656 . . . . . . . . 5 4 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.786 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.549 0.4 OUTLIER -44.91 -60.4 2.08 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 124.617 3.371 . . . . 0.0 120.007 -176.188 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.407 0.0 OUTLIER -52.77 -28.02 20.53 Favored 'General case' 0 N--CA 1.471 0.604 2 C-N-CA 140.994 7.718 . . . . 0.0 122.93 157.696 . . . . . . . . 4 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -103.3 -24.55 7.86 Favored Glycine 0 CA--C 1.525 0.679 0 C-N-CA 129.801 3.572 . . . . 0.0 119.007 -166.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.429 HD13 ' O ' ' A' ' 12' ' ' ILE 0.533 0.1 OUTLIER -62.2 -32.51 54.94 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 N-CA-C 117.304 2.335 . . . . 0.0 117.304 144.142 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.339 0.1 OUTLIER -74.05 -33.74 36.71 Favored 'Isoleucine or valine' 0 C--N 1.356 0.868 0 C-N-CA 130.78 3.632 . . . . 0.0 115.496 163.05 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.489 ' O ' HG22 ' A' ' 22' ' ' ILE . 1.8 ttt -71.76 -36.09 70.28 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-O 111.917 -3.896 . . . . 0.0 115.297 165.523 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -65.95 -25.88 67.32 Favored 'General case' 0 C--N 1.344 0.365 0 CA-C-O 111.828 -3.939 . . . . 0.0 115.752 172.111 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.567 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 1.9 p -83.95 -33.86 24.56 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 113.669 -3.062 . . . . 0.0 116.476 173.555 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.0 mp -79.19 -27.14 42.58 Favored 'General case' 0 CA--C 1.55 0.974 1 C-N-CA 132.0 4.12 . . . . 0.0 115.762 169.104 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.489 HG22 ' O ' ' A' ' 18' ' ' MET 0.551 1.9 tp -70.25 -49.08 57.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 1 C-N-CA 132.075 4.15 . . . . 0.0 118.031 167.797 . . . . . . . . 4 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.26 99.9 t -73.56 -17.51 17.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.596 1 C-N-CA 134.352 5.061 . . . . 0.0 110.496 174.094 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.567 ' HB ' ' O ' ' A' ' 20' ' ' THR 0.724 1.1 mp -87.53 -36.3 9.48 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 N-CA-C 119.911 3.301 . . . . 0.0 119.911 164.904 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.533 3.1 m-85 -59.08 -36.77 75.67 Favored 'General case' 0 N--CA 1.478 0.974 1 C-N-CA 134.026 4.93 . . . . 0.0 116.024 161.96 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -68.93 -9.33 51.34 Favored 'General case' 0 N--CA 1.469 0.513 1 N-CA-C 121.93 4.048 . . . . 0.0 121.93 161.542 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -105.36 -21.28 13.26 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 128.491 2.716 . . . . 0.0 116.619 168.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.538 HG13 ' O ' ' A' ' 24' ' ' ILE 0.488 0.8 OUTLIER -97.51 -59.71 3.07 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 C-N-CA 130.35 3.46 . . . . 0.0 115.718 178.882 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.48 -28.2 12.65 Favored 'General case' 0 CA--C 1.546 0.799 1 C-N-CA 134.682 5.193 . . . . 0.0 119.288 167.035 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 p -69.68 172.75 7.0 Favored 'General case' 0 N--CA 1.476 0.837 1 C-N-CA 133.966 4.906 . . . . 0.0 120.267 159.232 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.309 27.1 m -73.71 82.62 1.58 Allowed 'General case' 0 N--CA 1.477 0.897 1 C-N-CA 131.723 4.009 . . . . 0.0 112.716 -175.729 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.68 156.44 46.82 Favored 'General case' 0 CA--C 1.542 0.65 2 C-N-CA 135.875 5.67 . . . . 0.0 111.959 173.149 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . 0.272 92.1 p -55.13 110.5 2.24 Favored Pre-proline 0 CA--C 1.547 0.857 1 C-N-CA 132.938 4.495 . . . . 0.0 119.136 165.717 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . 0.392 2.1 Cg_endo -78.6 108.92 2.53 Favored 'Trans proline' 0 C--N 1.369 1.635 2 N-CA-C 124.022 4.585 . . . . 0.0 124.022 175.758 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.9 tmtm? -124.45 117.38 24.27 Favored 'General case' 0 N--CA 1.477 0.91 1 C-N-CA 134.119 4.968 . . . . 0.0 111.365 178.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . 0.338 0.8 OUTLIER . . . . . 0 C--O 1.249 1.049 0 C-N-CA 129.65 3.18 . . . . 0.0 112.419 154.749 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 0.27 8.9 mtm . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 113.147 -3.311 . . . . 0.0 115.603 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.391 8.1 pt -120.4 101.75 11.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 129.507 3.123 . . . . 0.0 110.864 -167.333 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.384 63.1 m -107.72 -82.24 0.55 Allowed 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 112.848 -3.454 . . . . 0.0 115.691 -175.306 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.63 100.75 5.42 Favored 'General case' 0 N--CA 1.479 1.004 1 C-N-CA 132.343 4.257 . . . . 0.0 108.626 171.445 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -152.55 142.63 22.29 Favored 'General case' 0 N--CA 1.479 1.005 1 C-N-CA 133.52 4.728 . . . . 0.0 113.81 168.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.273 0.0 OUTLIER -67.57 17.65 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.988 1 C-N-CA 133.169 4.587 . . . . 0.0 120.621 156.625 . . . . . . . . 4 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -67.77 11.9 0.12 Allowed 'General case' 0 CA--C 1.553 1.088 1 C-N-CA 133.153 4.581 . . . . 0.0 118.051 158.648 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -66.22 -21.65 66.31 Favored 'General case' 0 N--CA 1.48 1.052 1 C-N-CA 133.968 4.907 . . . . 0.0 117.459 152.215 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.46 -9.44 12.73 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 130.126 3.37 . . . . 0.0 119.658 156.099 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.773 ' HA ' HG22 ' A' ' 13' ' ' THR 0.338 0.7 OUTLIER -76.6 -49.02 17.35 Favored 'General case' 0 C--N 1.344 0.353 0 CA-C-O 112.631 -3.557 . . . . 0.0 115.444 148.911 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.25 -5.76 3.73 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 121.532 3.901 . . . . 0.0 121.532 -177.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.481 ' O ' HD13 ' A' ' 16' ' ' ILE 0.424 1.2 mp -98.55 -60.49 2.71 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.751 2 CA-C-O 110.357 -4.639 . . . . 0.0 109.987 161.6 . . . . . . . . 4 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.773 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.549 0.4 OUTLIER -46.4 -59.66 2.82 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 131.232 3.813 . . . . 0.0 119.475 179.779 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.464 0.0 OUTLIER -52.43 -31.5 34.74 Favored 'General case' 0 N--CA 1.474 0.745 2 C-N-CA 140.491 7.516 . . . . 0.0 122.762 158.134 . . . . . . . . 4 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -102.83 -24.7 7.97 Favored Glycine 0 CA--C 1.524 0.641 0 CA-C-O 113.476 -3.958 . . . . 0.0 118.332 -164.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.481 HD13 ' O ' ' A' ' 12' ' ' ILE 0.557 0.1 OUTLIER -63.14 -29.45 47.25 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.882 0 CA-C-O 114.647 -2.597 . . . . 0.0 117.885 143.001 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.315 0.0 OUTLIER -76.46 -36.25 28.21 Favored 'Isoleucine or valine' 0 C--N 1.357 0.922 0 C-N-CA 130.932 3.693 . . . . 0.0 114.804 166.374 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.466 ' O ' HG22 ' A' ' 22' ' ' ILE . 1.8 mtt -69.36 -36.59 77.01 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 112.873 -3.441 . . . . 0.0 117.99 164.178 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.7 mtt -64.53 -23.61 67.33 Favored 'General case' 0 C--N 1.346 0.419 0 CA-C-O 113.066 -3.35 . . . . 0.0 118.344 165.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.481 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 2.1 p -85.13 -29.19 25.01 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 113.794 -3.003 . . . . 0.0 117.578 167.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.327 5.0 mt -76.45 -30.23 57.26 Favored 'General case' 0 N--CA 1.478 0.929 1 CA-C-O 111.574 -4.06 . . . . 0.0 117.277 163.74 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.466 HG22 ' O ' ' A' ' 18' ' ' MET 0.507 1.8 tp -70.41 -45.58 74.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 131.363 3.865 . . . . 0.0 118.174 172.639 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.261 63.4 t -75.48 -18.67 15.84 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 1 C-N-CA 133.912 4.885 . . . . 0.0 110.15 172.451 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.544 ' O ' HG13 ' A' ' 28' ' ' VAL 0.728 1.1 mp -84.82 -41.35 15.81 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 N-CA-C 120.699 3.592 . . . . 0.0 120.699 165.087 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.539 2.8 m-30 -55.07 -34.92 64.01 Favored 'General case' 0 N--CA 1.475 0.798 2 C-N-CA 134.377 5.071 . . . . 0.0 115.71 160.546 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -69.57 -18.31 63.63 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 120.716 3.599 . . . . 0.0 120.716 165.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -101.63 -14.64 17.33 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 129.148 2.979 . . . . 0.0 116.511 172.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.544 HG13 ' O ' ' A' ' 24' ' ' ILE 0.468 0.7 OUTLIER -100.08 -65.94 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 C-N-CA 130.075 3.35 . . . . 0.0 113.582 173.388 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.72 -0.97 0.12 Allowed 'General case' 0 CA--C 1.545 0.774 1 C-N-CA 134.765 5.226 . . . . 0.0 121.266 162.446 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 27.8 t -31.47 138.79 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.71 1 C-N-CA 134.982 5.313 . . . . 0.0 121.41 149.745 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.391 28.2 m -88.0 84.14 6.99 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 128.409 2.683 . . . . 0.0 110.702 -174.489 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -145.17 164.6 30.81 Favored 'General case' 0 CA--C 1.542 0.651 2 C-N-CA 136.614 5.965 . . . . 0.0 110.649 -165.855 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . 0.337 0.1 OUTLIER -45.44 119.54 4.42 Favored Pre-proline 0 CA--C 1.549 0.914 0 C-N-CA 131.671 3.988 . . . . 0.0 120.356 150.019 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -65.73 148.78 87.13 Favored 'Trans proline' 0 C--N 1.37 1.683 2 C-N-CA 126.511 4.807 . . . . 0.0 123.757 168.378 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . 0.446 6.0 tptm -72.03 -49.86 33.3 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 130.991 3.716 . . . . 0.0 115.836 -172.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 48.1 t30 . . . . . 0 C--O 1.256 1.447 0 N-CA-C 104.013 -2.588 . . . . 0.0 104.013 176.216 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 0.258 11.4 mtp . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.36 0.2 OUTLIER -135.81 138.22 48.02 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 129.578 3.151 . . . . 0.0 113.321 176.258 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -72.15 33.26 0.06 Allowed 'General case' 0 CA--C 1.546 0.79 1 C-N-CA 132.139 4.175 . . . . 0.0 119.178 162.004 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -138.36 144.03 40.13 Favored 'General case' 0 N--CA 1.477 0.881 1 C-N-CA 132.688 4.395 . . . . 0.0 112.823 -172.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.32 1.2 mp0 -93.53 110.41 21.99 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 129.134 2.974 . . . . 0.0 117.15 172.658 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.34 8.4 pt20 -107.76 0.74 22.48 Favored 'General case' 0 CA--C 1.546 0.812 1 C-N-CA 134.851 5.261 . . . . 0.0 116.27 -179.134 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -62.93 7.28 0.08 Allowed 'General case' 0 CA--C 1.553 1.061 1 C-N-CA 133.443 4.697 . . . . 0.0 119.521 169.175 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -58.99 -17.34 23.97 Favored 'General case' 0 N--CA 1.478 0.975 1 C-N-CA 133.606 4.762 . . . . 0.0 118.922 146.043 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.31 -14.11 62.75 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 129.552 3.141 . . . . 0.0 118.34 159.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.729 ' HA ' HG22 ' A' ' 13' ' ' THR 0.364 0.7 OUTLIER -72.1 -47.46 51.14 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 130.718 3.607 . . . . 0.0 116.789 148.925 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.44 -6.06 6.55 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 121.115 3.746 . . . . 0.0 121.115 -177.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.546 ' O ' HD13 ' A' ' 16' ' ' ILE 0.435 1.3 mp -99.62 -58.67 3.72 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.775 2 CA-C-O 110.111 -4.757 . . . . 0.0 110.073 162.001 . . . . . . . . 4 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.729 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.555 0.3 OUTLIER -47.98 -60.24 2.75 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 130.762 3.625 . . . . 0.0 119.272 178.958 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.395 0.0 OUTLIER -53.54 -29.0 34.71 Favored 'General case' 0 N--CA 1.475 0.787 2 C-N-CA 140.353 7.461 . . . . 0.0 122.081 157.844 . . . . . . . . 4 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -95.98 -34.54 5.9 Favored Glycine 0 CA--C 1.52 0.35 1 CA-C-O 109.942 -5.921 . . . . 0.0 116.083 -164.155 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.546 HD13 ' O ' ' A' ' 12' ' ' ILE 0.549 0.1 OUTLIER -62.06 -26.15 39.3 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 CA-C-O 113.743 -3.027 . . . . 0.0 117.231 150.586 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.26 0.0 OUTLIER -80.16 -40.71 20.44 Favored 'Isoleucine or valine' 0 C--N 1.361 1.073 1 C-N-CA 132.041 4.136 . . . . 0.0 115.337 169.556 . . . . . . . . 4 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.463 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -62.65 -36.28 82.33 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 129.842 3.257 . . . . 0.0 117.454 161.141 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 51.1 mtt -72.55 -23.07 60.93 Favored 'General case' 0 C--N 1.345 0.409 0 C-N-CA 130.292 3.437 . . . . 0.0 115.313 174.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.478 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 2.6 p -81.99 -32.85 30.44 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 113.135 -3.317 . . . . 0.0 117.951 162.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.268 3.6 mt -76.81 -26.62 54.6 Favored 'General case' 0 N--CA 1.479 0.989 1 C-N-CA 132.09 4.156 . . . . 0.0 116.728 168.519 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.463 HG22 ' O ' ' A' ' 18' ' ' MET 0.485 2.3 tp -71.2 -46.02 68.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 1 C-N-CA 131.902 4.081 . . . . 0.0 117.867 169.49 . . . . . . . . 4 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.258 84.8 t -73.78 -19.49 17.73 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 1 C-N-CA 133.462 4.705 . . . . 0.0 110.889 171.361 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.515 ' O ' HG13 ' A' ' 28' ' ' VAL 0.747 1.1 mp -85.02 -36.94 11.84 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 N-CA-C 120.877 3.658 . . . . 0.0 120.877 164.907 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.512 2.7 m-85 -63.57 -29.2 70.49 Favored 'General case' 0 N--CA 1.474 0.749 1 C-N-CA 133.54 4.736 . . . . 0.0 117.113 163.756 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -72.96 -14.19 61.4 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 120.604 3.557 . . . . 0.0 120.604 160.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.75 -20.52 18.17 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 115.23 -2.319 . . . . 0.0 117.102 170.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.515 HG13 ' O ' ' A' ' 24' ' ' ILE 0.442 1.0 OUTLIER -99.96 -57.71 4.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 C-N-CA 130.487 3.515 . . . . 0.0 115.795 178.738 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.27 -54.48 6.42 Favored 'General case' 0 CA--C 1.545 0.773 1 C-N-CA 134.289 5.036 . . . . 0.0 115.511 -178.739 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.49 152.11 27.48 Favored 'General case' 0 N--CA 1.478 0.933 1 C-N-CA 133.037 4.535 . . . . 0.0 119.12 161.127 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.297 61.1 m -81.87 89.73 6.37 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 131.483 3.913 . . . . 0.0 112.965 -165.027 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.7 mtp -137.22 -175.02 3.91 Favored 'General case' 0 N--CA 1.479 1.0 1 C-N-CA 136.005 5.722 . . . . 0.0 114.29 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.9 123.43 25.43 Favored Pre-proline 0 N--CA 1.482 1.148 1 C-N-CA 132.03 4.132 . . . . 0.0 121.253 156.807 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . 0.328 8.1 Cg_endo -84.27 130.39 4.67 Favored 'Trans proline' 0 C--N 1.368 1.591 2 C-N-CA 126.203 4.602 . . . . 0.0 123.804 162.676 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.77 -53.3 2.66 Favored 'General case' 0 N--CA 1.48 1.046 2 C-N-CA 133.914 4.886 . . . . 0.0 113.638 -178.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . 0.282 39.6 m-80 . . . . . 0 C--O 1.251 1.15 0 CA-C-N 123.42 2.827 . . . . 0.0 112.899 -154.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.4 mtt . . . . . 0 N--CA 1.493 1.721 0 N-CA-C 115.342 1.608 . . . . 0.0 115.342 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.257 0.3 OUTLIER -88.19 146.64 5.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 1 C-N-CA 133.159 4.584 . . . . 0.0 116.176 167.328 . . . . . . . . 4 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.366 0.3 OUTLIER -41.25 89.47 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.639 1 C-N-CA 133.503 4.721 . . . . 0.0 118.539 156.706 . . . . . . . . 4 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -136.16 122.88 21.08 Favored 'General case' 0 CA--C 1.543 0.703 1 C-N-CA 132.465 4.306 . . . . 0.0 113.665 -169.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -109.56 161.51 15.28 Favored 'General case' 0 N--CA 1.48 1.072 1 C-N-CA 131.777 4.031 . . . . 0.0 117.697 162.081 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.493 2.2 mt-30 81.6 23.01 0.28 Allowed 'General case' 0 N--CA 1.491 1.576 1 C-N-CA 137.24 6.216 . . . . 0.0 119.46 -164.235 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.333 1.2 mm? -74.81 -2.52 27.03 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 116.565 -3.834 . . . . 0.0 118.247 -176.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -51.2 -13.7 0.2 Allowed 'General case' 0 N--CA 1.476 0.841 1 C-N-CA 134.61 5.164 . . . . 0.0 120.152 148.083 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.1 m -65.76 -14.0 60.48 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 129.02 2.928 . . . . 0.0 118.456 154.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.749 ' HA ' HG22 ' A' ' 13' ' ' THR 0.365 0.4 OUTLIER -71.5 -46.75 58.89 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 130.112 3.365 . . . . 0.0 115.786 151.015 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.25 -5.29 6.68 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 120.549 3.537 . . . . 0.0 120.549 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.498 ' O ' HD13 ' A' ' 16' ' ' ILE 0.461 0.7 OUTLIER -95.54 -60.7 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 2 CA-C-O 110.143 -4.741 . . . . 0.0 113.4 157.522 . . . . . . . . 5 4 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.749 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.546 0.4 OUTLIER -46.99 -57.58 4.85 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 130.747 3.619 . . . . 0.0 120.691 178.972 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.431 0.0 OUTLIER -55.03 -28.73 54.42 Favored 'General case' 0 N--CA 1.474 0.752 2 C-N-CA 140.826 7.65 . . . . 0.0 122.095 157.413 . . . . . . . . 4 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -103.43 -24.75 7.7 Favored Glycine 0 CA--C 1.524 0.596 0 CA-C-O 114.131 -3.594 . . . . 0.0 117.869 -162.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.498 HD13 ' O ' ' A' ' 12' ' ' ILE 0.528 0.1 OUTLIER -61.07 -30.02 46.88 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 N-CA-C 117.605 2.446 . . . . 0.0 117.605 143.616 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.298 0.0 OUTLIER -78.57 -34.77 18.14 Favored 'Isoleucine or valine' 0 C--N 1.357 0.895 0 C-N-CA 131.076 3.75 . . . . 0.0 115.114 167.666 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.433 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.5 OUTLIER -65.6 -37.58 87.03 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-O 112.183 -3.77 . . . . 0.0 116.174 161.65 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.0 ttp -69.81 -25.57 63.84 Favored 'General case' 0 C--N 1.347 0.47 0 CA-C-O 112.84 -3.457 . . . . 0.0 114.422 175.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.482 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 1.9 p -83.94 -31.62 25.51 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 113.619 -3.086 . . . . 0.0 116.707 170.117 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.377 5.6 mt -72.85 -34.15 66.59 Favored 'General case' 0 N--CA 1.478 0.958 1 CA-C-O 110.438 -4.601 . . . . 0.0 117.161 162.391 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.433 HG22 ' O ' ' A' ' 18' ' ' MET 0.564 2.0 tp -67.3 -45.96 84.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 131.45 3.9 . . . . 0.0 118.231 173.307 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.278 85.4 t -75.54 -20.63 15.96 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 1 C-N-CA 134.265 5.026 . . . . 0.0 110.479 174.628 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.555 ' O ' HG13 ' A' ' 28' ' ' VAL 0.726 1.2 mp -83.05 -41.15 16.91 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 N-CA-C 120.437 3.495 . . . . 0.0 120.437 165.148 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.487 2.4 m-85 -59.67 -30.42 68.75 Favored 'General case' 0 N--CA 1.474 0.76 1 C-N-CA 134.252 5.021 . . . . 0.0 116.965 160.769 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -76.89 -4.76 45.42 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 120.715 3.598 . . . . 0.0 120.715 159.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . 0.309 . . -97.65 -38.88 9.35 Favored 'General case' 0 CA--C 1.534 0.359 1 CA-C-O 109.542 -5.027 . . . . 0.0 115.046 162.634 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.555 HG13 ' O ' ' A' ' 24' ' ' ILE 0.482 0.8 OUTLIER -85.8 -56.05 5.9 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 C-N-CA 129.671 3.188 . . . . 0.0 117.25 -176.926 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -63.22 -45.32 92.18 Favored 'General case' 0 N--CA 1.476 0.862 1 C-N-CA 134.571 5.148 . . . . 0.0 116.524 -179.673 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.5 t -55.28 156.56 4.16 Favored 'General case' 0 N--CA 1.476 0.868 2 C-N-CA 135.875 5.67 . . . . 0.0 122.056 152.213 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.461 4.3 t -56.19 78.36 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.794 1 C-N-CA 133.662 4.785 . . . . 0.0 118.743 178.26 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.69 178.94 4.79 Favored 'General case' 0 N--CA 1.476 0.854 1 C-N-CA 136.095 5.758 . . . . 0.0 112.987 174.117 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.69 112.37 4.43 Favored Pre-proline 0 N--CA 1.477 0.897 0 C-N-CA 131.236 3.814 . . . . 0.0 118.397 157.233 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . 0.434 3.3 Cg_exo -76.83 102.74 1.65 Allowed 'Trans proline' 0 C--N 1.368 1.592 1 N-CA-C 123.056 4.214 . . . . 0.0 123.056 173.732 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . 0.408 3.2 tptt -104.45 117.61 34.57 Favored 'General case' 0 N--CA 1.475 0.781 2 C-N-CA 134.7 5.2 . . . . 0.0 116.672 -168.144 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . 0.355 8.5 p30 . . . . . 0 C--O 1.251 1.175 0 N-CA-C 121.37 3.841 . . . . 0.0 121.37 163.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 0.331 5.4 mpp? . . . . . 0 N--CA 1.488 1.45 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.329 2.7 pp -135.14 114.63 17.2 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 1 C-N-CA 133.626 4.77 . . . . 0.0 110.476 -174.77 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.62 -58.84 0.77 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 129.755 3.222 . . . . 0.0 112.932 163.393 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.2 p30 -118.98 146.86 44.66 Favored 'General case' 0 N--CA 1.479 0.98 1 C-N-CA 134.082 4.953 . . . . 0.0 113.754 -172.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -75.76 102.12 5.32 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 129.282 3.033 . . . . 0.0 113.069 -172.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.285 0.4 OUTLIER -101.09 13.54 34.85 Favored 'General case' 0 CA--C 1.544 0.714 1 C-N-CA 132.543 4.337 . . . . 0.0 118.095 -177.251 . . . . . . . . 4 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -70.92 10.0 0.6 Allowed 'General case' 0 CA--C 1.552 1.03 1 C-N-CA 133.232 4.613 . . . . 0.0 116.529 163.72 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -63.74 -22.0 66.69 Favored 'General case' 0 N--CA 1.479 1.014 1 C-N-CA 133.727 4.811 . . . . 0.0 118.011 147.554 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.2 m -68.21 -14.37 62.93 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 128.824 2.85 . . . . 0.0 117.644 162.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.736 ' HA ' HG22 ' A' ' 13' ' ' THR 0.349 0.9 OUTLIER -71.65 -48.08 50.1 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 112.106 -3.807 . . . . 0.0 116.303 148.672 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.69 -3.75 3.55 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 121.677 3.954 . . . . 0.0 121.677 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.464 ' O ' HD13 ' A' ' 16' ' ' ILE 0.438 1.0 OUTLIER -99.63 -61.36 2.36 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 2 CA-C-O 110.172 -4.728 . . . . 0.0 109.603 160.698 . . . . . . . . 5 4 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.736 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.568 0.4 OUTLIER -45.47 -59.29 2.79 Favored 'General case' 0 N--CA 1.48 1.067 1 C-N-CA 131.919 4.088 . . . . 0.0 120.406 -179.875 . . . . . . . . 5 4 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.453 0.0 OUTLIER -53.63 -32.69 52.3 Favored 'General case' 0 N--CA 1.473 0.679 2 C-N-CA 140.687 7.595 . . . . 0.0 122.16 159.174 . . . . . . . . 4 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -101.1 -23.2 9.91 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 130.438 3.875 . . . . 0.0 119.214 -166.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.464 HD13 ' O ' ' A' ' 12' ' ' ILE 0.558 0.1 OUTLIER -63.79 -28.75 45.61 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 CA-C-O 114.7 -2.571 . . . . 0.0 117.658 143.179 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.305 0.0 OUTLIER -78.85 -32.27 15.57 Favored 'Isoleucine or valine' 0 C--N 1.358 0.968 0 C-N-CA 131.666 3.986 . . . . 0.0 114.565 166.29 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.438 ' O ' HG22 ' A' ' 22' ' ' ILE . 2.1 ttt -70.73 -36.38 73.15 Favored 'General case' 0 C--N 1.357 0.917 0 CA-C-O 112.913 -3.422 . . . . 0.0 114.886 164.096 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . 0.343 4.5 mtt -73.52 -20.59 60.62 Favored 'General case' 0 C--N 1.344 0.364 0 CA-C-O 113.666 -3.064 . . . . 0.0 117.288 175.48 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.493 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 3.1 p -81.25 -31.53 33.73 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 113.928 -2.939 . . . . 0.0 118.911 162.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.304 5.3 mt -78.7 -30.25 45.95 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 131.436 3.894 . . . . 0.0 117.041 165.744 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.438 HG22 ' O ' ' A' ' 18' ' ' MET 0.518 2.2 tp -68.41 -43.42 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 1 C-N-CA 131.709 4.004 . . . . 0.0 118.225 169.738 . . . . . . . . 4 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.274 87.9 t -79.55 -17.57 12.94 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.681 1 C-N-CA 134.084 4.954 . . . . 0.0 110.107 173.981 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.554 ' O ' HG13 ' A' ' 28' ' ' VAL 0.716 1.1 mp -87.5 -36.62 9.92 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 N-CA-C 120.206 3.41 . . . . 0.0 120.206 165.203 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.509 2.8 m-85 -59.43 -35.44 74.02 Favored 'General case' 0 N--CA 1.478 0.966 1 C-N-CA 134.426 5.09 . . . . 0.0 115.987 160.367 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -71.02 -7.1 44.0 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 120.911 3.671 . . . . 0.0 120.911 162.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -104.05 -25.29 13.04 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 114.362 -2.733 . . . . 0.0 116.622 166.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.554 HG13 ' O ' ' A' ' 24' ' ' ILE 0.504 0.7 OUTLIER -93.81 -58.6 3.57 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 C-N-CA 129.938 3.295 . . . . 0.0 116.147 179.68 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.73 -29.96 20.56 Favored 'General case' 0 CA--C 1.547 0.84 1 C-N-CA 134.723 5.209 . . . . 0.0 119.239 168.087 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.75 176.51 3.56 Favored 'General case' 0 N--CA 1.477 0.923 1 C-N-CA 135.363 5.465 . . . . 0.0 120.275 160.816 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.324 71.6 m -74.01 85.08 1.78 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 131.665 3.986 . . . . 0.0 112.338 -173.493 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 3.4 mtt -142.81 164.95 28.7 Favored 'General case' 0 N--CA 1.476 0.833 1 C-N-CA 135.155 5.382 . . . . 0.0 112.758 179.011 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.6 m -81.23 107.16 7.06 Favored Pre-proline 0 N--CA 1.475 0.782 0 N-CA-C 118.949 2.944 . . . . 0.0 118.949 146.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -79.83 144.65 17.36 Favored 'Trans proline' 0 C--N 1.366 1.464 2 C-N-CA 127.101 5.2 . . . . 0.0 124.505 154.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.17 -52.03 4.74 Favored 'General case' 0 N--CA 1.483 1.193 1 C-N-CA 135.991 5.716 . . . . 0.0 114.375 173.584 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . 0.439 2.6 m-80 . . . . . 0 C--O 1.253 1.238 0 CA-C-N 122.213 2.279 . . . . 0.0 110.185 -164.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.405 1.7 pp -125.13 120.77 59.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 131.151 3.781 . . . . 0.0 114.063 172.32 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.72 160.21 30.31 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 130.914 3.685 . . . . 0.0 117.073 165.6 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -66.85 90.87 0.18 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 130.575 3.55 . . . . 0.0 116.149 152.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -151.77 149.86 29.51 Favored 'General case' 0 N--CA 1.475 0.824 1 C-N-CA 134.683 5.193 . . . . 0.0 113.969 178.382 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.267 0.4 OUTLIER -44.48 -17.32 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.908 2 C-N-CA 134.091 4.956 . . . . 0.0 123.088 156.589 . . . . . . . . 4 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -51.61 -0.95 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.828 1 C-N-CA 133.915 4.886 . . . . 0.0 120.083 173.677 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -47.3 -17.53 0.08 Allowed 'General case' 0 N--CA 1.476 0.864 1 C-N-CA 134.298 5.039 . . . . 0.0 118.885 143.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.425 0.3 OUTLIER -67.73 -0.92 4.51 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 119.676 3.213 . . . . 0.0 119.676 155.093 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.775 ' HA ' HG22 ' A' ' 13' ' ' THR 0.335 0.2 OUTLIER -76.41 -45.62 30.8 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 130.489 3.515 . . . . 0.0 116.389 143.513 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.65 -2.86 10.06 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 120.271 3.434 . . . . 0.0 120.271 -178.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.451 ' O ' HD13 ' A' ' 16' ' ' ILE 0.54 0.2 OUTLIER -88.64 -60.69 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 1 CA-C-O 109.483 -5.056 . . . . 0.0 115.971 146.568 . . . . . . . . 5 4 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.775 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.553 0.3 OUTLIER -45.33 -59.89 2.43 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 130.486 3.514 . . . . 0.0 120.425 -178.153 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.432 0.0 OUTLIER -53.51 -30.36 41.02 Favored 'General case' 0 N--CA 1.473 0.679 2 C-N-CA 140.565 7.546 . . . . 0.0 122.187 157.443 . . . . . . . . 4 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -98.31 -27.36 8.73 Favored Glycine 0 CA--C 1.522 0.531 0 CA-C-O 113.503 -3.943 . . . . 0.0 118.003 -165.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.451 HD13 ' O ' ' A' ' 12' ' ' ILE 0.529 0.1 OUTLIER -63.1 -31.25 51.95 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.883 0 CA-C-O 115.048 -2.406 . . . . 0.0 117.019 147.954 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.294 0.0 OUTLIER -75.02 -33.73 30.13 Favored 'Isoleucine or valine' 0 C--N 1.359 0.988 0 C-N-CA 131.664 3.986 . . . . 0.0 114.958 166.126 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.458 ' O ' HG22 ' A' ' 22' ' ' ILE . 2.4 tmm? -75.4 -33.66 61.0 Favored 'General case' 0 C--N 1.354 0.771 1 CA-C-O 111.686 -4.007 . . . . 0.0 115.545 167.699 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 13.4 mmt -66.2 -27.2 67.81 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-O 113.718 -3.039 . . . . 0.0 116.829 166.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.506 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 3.0 p -81.53 -31.74 32.63 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 113.369 -3.205 . . . . 0.0 117.443 169.376 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.309 5.5 mt -75.76 -28.33 58.42 Favored 'General case' 0 N--CA 1.475 0.806 1 C-N-CA 131.894 4.077 . . . . 0.0 116.987 164.623 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.458 HG22 ' O ' ' A' ' 18' ' ' MET 0.512 2.0 tp -71.87 -45.6 64.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 130.329 3.452 . . . . 0.0 117.252 171.94 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.269 90.7 t -74.71 -19.09 16.62 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 1 C-N-CA 133.478 4.711 . . . . 0.0 110.144 173.751 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.538 ' O ' HG13 ' A' ' 28' ' ' VAL 0.735 1.1 mp -84.29 -39.76 14.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 N-CA-C 120.862 3.652 . . . . 0.0 120.862 165.756 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.478 2.7 m-85 -61.59 -27.5 68.68 Favored 'General case' 0 N--CA 1.476 0.867 1 C-N-CA 134.43 5.092 . . . . 0.0 117.197 161.864 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -74.93 -13.03 60.48 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 120.707 3.595 . . . . 0.0 120.707 159.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.21 -18.55 17.57 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 127.733 2.413 . . . . 0.0 117.07 168.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.538 HG13 ' O ' ' A' ' 24' ' ' ILE 0.461 0.9 OUTLIER -100.35 -56.25 5.35 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 130.269 3.427 . . . . 0.0 115.341 179.452 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -79.06 -58.37 3.27 Favored 'General case' 0 CA--C 1.542 0.666 1 C-N-CA 134.053 4.941 . . . . 0.0 114.514 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.88 150.27 32.23 Favored 'General case' 0 N--CA 1.475 0.783 1 C-N-CA 133.091 4.556 . . . . 0.0 119.542 161.131 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.426 3.8 t -53.6 94.54 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.691 1 C-N-CA 133.685 4.794 . . . . 0.0 118.917 -178.204 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.402 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -119.12 129.51 55.08 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 109.596 -3.457 . . . . 0.0 113.923 162.929 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.6 m -92.98 96.65 1.45 Allowed Pre-proline 0 CA--C 1.547 0.86 0 CA-C-N 110.778 -2.919 . . . . 0.0 113.325 145.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.402 ' HD3' ' HB3' ' A' ' 32' ' ' MET 0.449 9.9 Cg_endo -82.04 -24.77 3.76 Favored 'Trans proline' 0 C--N 1.368 1.557 1 N-CA-C 124.691 4.843 . . . . 0.0 124.691 167.314 . . . . . . . . 4 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -78.04 -43.66 28.69 Favored 'General case' 0 N--CA 1.479 0.988 1 C-N-CA 132.079 4.152 . . . . 0.0 112.325 162.172 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 t30 . . . . . 0 C--O 1.255 1.37 0 CA-C-N 122.348 2.34 . . . . 0.0 111.754 -177.47 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 ttt . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 121.225 0.536 . . . . 0.0 112.009 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.34 0.0 OUTLIER -118.4 112.76 39.54 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 1 C-N-CA 131.934 4.094 . . . . 0.0 113.102 174.226 . . . . . . . . 4 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.09 152.97 43.66 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 130.144 3.378 . . . . 0.0 118.367 168.666 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.76 96.46 5.6 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 130.922 3.689 . . . . 0.0 112.879 163.642 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -151.58 145.36 25.07 Favored 'General case' 0 N--CA 1.478 0.933 1 C-N-CA 134.465 5.106 . . . . 0.0 113.7 -177.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.258 2.6 pt20 -49.4 -10.38 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.069 2 C-N-CA 134.809 5.243 . . . . 0.0 122.545 158.622 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -59.34 6.23 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.946 1 C-N-CA 134.414 5.086 . . . . 0.0 118.764 172.702 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -54.79 -25.32 27.38 Favored 'General case' 0 N--CA 1.475 0.788 1 C-N-CA 133.144 4.578 . . . . 0.0 118.912 145.627 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.4 m -67.47 -22.04 65.49 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 129.567 3.147 . . . . 0.0 117.998 161.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.785 ' HA ' HG22 ' A' ' 13' ' ' THR 0.334 1.3 tt -72.97 -46.72 50.71 Favored 'General case' 0 C--N 1.345 0.375 0 CA-C-O 112.419 -3.657 . . . . 0.0 115.518 152.132 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.39 -8.35 5.9 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 121.224 3.786 . . . . 0.0 121.224 178.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.483 ' O ' HD13 ' A' ' 16' ' ' ILE 0.487 0.9 OUTLIER -94.38 -58.69 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 2 CA-C-O 110.18 -4.724 . . . . 0.0 112.943 158.868 . . . . . . . . 5 4 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.785 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.563 0.4 OUTLIER -46.43 -60.23 2.47 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 131.347 3.859 . . . . 0.0 119.766 178.126 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.434 0.0 OUTLIER -53.63 -30.23 41.85 Favored 'General case' 0 N--CA 1.472 0.658 2 C-N-CA 140.173 7.389 . . . . 0.0 122.781 157.471 . . . . . . . . 4 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -102.38 -22.19 9.99 Favored Glycine 0 CA--C 1.525 0.685 0 CA-C-O 113.7 -3.834 . . . . 0.0 118.83 -165.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.483 HD13 ' O ' ' A' ' 12' ' ' ILE 0.549 0.1 OUTLIER -62.24 -31.73 52.49 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-O 114.749 -2.548 . . . . 0.0 117.848 142.822 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.291 0.0 OUTLIER -75.99 -33.45 25.05 Favored 'Isoleucine or valine' 0 C--N 1.357 0.932 0 C-N-CA 131.176 3.79 . . . . 0.0 115.686 167.243 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.483 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -75.46 -33.96 60.89 Favored 'General case' 0 C--N 1.355 0.817 1 CA-C-O 111.66 -4.019 . . . . 0.0 115.487 165.99 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 8.5 mmm -65.82 -24.78 66.98 Favored 'General case' 0 C--N 1.347 0.496 0 CA-C-O 113.285 -3.245 . . . . 0.0 117.341 167.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.524 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 4.3 p -83.25 -34.69 25.76 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 112.83 -3.462 . . . . 0.0 117.218 169.009 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.329 6.4 mt -73.27 -29.59 62.84 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 131.406 3.882 . . . . 0.0 117.239 164.407 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.483 HG22 ' O ' ' A' ' 18' ' ' MET 0.534 1.7 tp -68.52 -47.04 79.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 130.63 3.572 . . . . 0.0 117.695 170.721 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.262 87.6 t -76.09 -17.11 15.31 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 1 C-N-CA 134.164 4.985 . . . . 0.0 110.581 174.113 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.524 ' HB ' ' O ' ' A' ' 20' ' ' THR 0.723 1.1 mp -87.85 -36.94 10.12 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 N-CA-C 120.455 3.502 . . . . 0.0 120.455 165.135 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.504 2.5 m-85 -59.56 -31.56 69.55 Favored 'General case' 0 N--CA 1.477 0.902 1 C-N-CA 134.161 4.984 . . . . 0.0 115.592 161.433 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -74.07 -10.68 59.88 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 130.34 3.456 . . . . 0.0 120.24 163.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -101.24 -16.4 16.99 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 127.511 2.325 . . . . 0.0 116.504 167.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.505 HG13 ' O ' ' A' ' 24' ' ' ILE 0.51 0.6 OUTLIER -104.7 -59.35 3.43 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 C-N-CA 130.545 3.538 . . . . 0.0 116.137 179.529 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -70.54 -49.73 45.06 Favored 'General case' 0 N--CA 1.475 0.805 1 C-N-CA 134.491 5.117 . . . . 0.0 116.725 -173.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.8 t -53.49 171.68 0.08 Allowed 'General case' 0 N--CA 1.476 0.825 1 C-N-CA 134.277 5.031 . . . . 0.0 119.896 147.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.8 m -61.17 103.76 0.32 Allowed 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 130.958 3.703 . . . . 0.0 112.115 170.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . 0.274 0.0 OUTLIER -57.03 137.25 55.97 Favored 'General case' 0 CA--C 1.537 0.45 2 C-N-CA 133.227 4.611 . . . . 0.0 116.258 169.034 . . . . . . . . 4 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . 0.307 51.0 m -103.51 86.59 1.17 Allowed Pre-proline 0 CA--C 1.542 0.651 0 C-N-CA 126.509 1.924 . . . . 0.0 112.827 169.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . 0.371 5.6 Cg_endo -82.64 -22.02 4.76 Favored 'Trans proline' 0 C--N 1.366 1.5 0 N-CA-C 121.827 3.741 . . . . 0.0 121.827 164.243 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.76 96.98 4.37 Favored 'General case' 0 N--CA 1.474 0.74 1 C-N-CA 132.327 4.251 . . . . 0.0 111.395 151.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.3 t30 . . . . . 0 C--O 1.251 1.161 0 CA-C-N 110.368 -3.105 . . . . 0.0 109.961 147.981 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 113.886 -2.959 . . . . 0.0 114.305 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.252 0.3 OUTLIER -130.09 141.36 46.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 1 C-N-CA 132.687 4.395 . . . . 0.0 109.558 -173.032 . . . . . . . . 4 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 t -79.67 -35.7 38.8 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 130.593 3.557 . . . . 0.0 116.369 173.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -100.2 127.15 46.53 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 130.91 3.684 . . . . 0.0 114.879 174.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.435 1.0 OUTLIER -86.91 101.92 13.85 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 129.46 3.104 . . . . 0.0 116.799 -169.944 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.379 0.3 OUTLIER -99.28 -10.03 22.88 Favored 'General case' 0 N--CA 1.475 0.8 1 C-N-CA 133.273 4.629 . . . . 0.0 117.863 -177.018 . . . . . . . . 4 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -67.25 5.69 0.69 Allowed 'General case' 0 CA--C 1.552 1.029 1 C-N-CA 133.23 4.612 . . . . 0.0 118.668 178.763 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -52.98 -16.46 1.06 Allowed 'General case' 0 N--CA 1.476 0.867 1 C-N-CA 134.616 5.166 . . . . 0.0 119.707 142.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.0 m -73.65 -12.94 60.9 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 130.686 3.594 . . . . 0.0 117.106 162.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.738 ' HA ' HG22 ' A' ' 13' ' ' THR 0.347 0.7 OUTLIER -72.99 -44.71 60.74 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 131.313 3.845 . . . . 0.0 116.569 146.487 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.74 -3.74 10.24 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 120.531 3.53 . . . . 0.0 120.531 178.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.49 ' O ' HD13 ' A' ' 16' ' ' ILE 0.514 0.2 OUTLIER -92.36 -56.81 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 1 CA-C-O 109.726 -4.94 . . . . 0.0 116.151 148.223 . . . . . . . . 5 4 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.738 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.561 0.4 OUTLIER -48.84 -59.71 3.35 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 120.372 3.471 . . . . 0.0 120.372 -177.728 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.422 0.0 OUTLIER -51.63 -29.0 16.01 Favored 'General case' 0 N--CA 1.472 0.666 2 C-N-CA 140.441 7.496 . . . . 0.0 122.408 155.138 . . . . . . . . 4 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -101.83 -23.87 9.02 Favored Glycine 0 CA--C 1.522 0.518 1 CA-C-O 112.899 -4.278 . . . . 0.0 117.964 -163.69 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.49 HD13 ' O ' ' A' ' 12' ' ' ILE 0.547 0.1 OUTLIER -63.11 -30.85 50.69 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 N-CA-C 117.968 2.581 . . . . 0.0 117.968 144.923 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.276 0.0 OUTLIER -77.56 -37.25 24.35 Favored 'Isoleucine or valine' 0 C--N 1.358 0.971 0 C-N-CA 131.394 3.878 . . . . 0.0 115.271 169.328 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.458 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -68.53 -32.0 71.63 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-O 112.412 -3.661 . . . . 0.0 118.37 161.277 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 28.0 mtt -73.52 -22.03 60.22 Favored 'General case' 0 C--N 1.344 0.353 0 CA-C-O 114.086 -2.864 . . . . 0.0 117.253 170.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.462 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 4.7 p -82.98 -30.55 28.14 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 114.183 -2.818 . . . . 0.0 118.442 163.595 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.288 4.5 mt -78.19 -28.35 48.11 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 131.577 3.951 . . . . 0.0 116.744 166.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.458 HG22 ' O ' ' A' ' 18' ' ' MET 0.49 1.8 tp -70.05 -44.04 78.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 131.408 3.883 . . . . 0.0 117.806 170.096 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.268 98.7 t -77.52 -17.05 14.28 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 1 C-N-CA 133.62 4.768 . . . . 0.0 110.696 173.67 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.52 ' O ' HG13 ' A' ' 28' ' ' VAL 0.724 1.2 mp -87.88 -36.61 9.69 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 N-CA-C 120.173 3.397 . . . . 0.0 120.173 165.648 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.479 3.2 m-30 -63.57 -28.34 69.87 Favored 'General case' 0 N--CA 1.478 0.949 1 C-N-CA 134.211 5.005 . . . . 0.0 116.483 163.01 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -73.62 -13.07 60.94 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 120.621 3.563 . . . . 0.0 120.621 160.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.82 -17.3 17.73 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 128.198 2.599 . . . . 0.0 116.996 170.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.52 HG13 ' O ' ' A' ' 24' ' ' ILE 0.477 0.8 OUTLIER -101.97 -55.87 5.59 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 C-N-CA 130.205 3.402 . . . . 0.0 115.525 178.453 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -83.68 -53.21 5.81 Favored 'General case' 0 CA--C 1.544 0.732 1 C-N-CA 134.249 5.02 . . . . 0.0 114.773 -175.359 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 m -82.01 151.98 26.89 Favored 'General case' 0 N--CA 1.475 0.804 1 C-N-CA 133.0 4.52 . . . . 0.0 119.514 158.264 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.437 1.0 OUTLIER -60.49 109.93 1.14 Allowed 'General case' 0 N--CA 1.474 0.757 1 C-N-CA 133.295 4.638 . . . . 0.0 120.309 177.135 . . . . . . . . 4 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -111.68 163.93 13.59 Favored 'General case' 0 N--CA 1.475 0.818 1 C-N-CA 131.757 4.023 . . . . 0.0 116.984 168.131 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . 0.294 1.1 p -84.2 95.1 0.31 Allowed Pre-proline 0 CA--C 1.545 0.772 0 C-N-CA 129.072 2.949 . . . . 0.0 115.336 151.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . 0.488 9.5 Cg_endo -85.03 88.9 0.88 Allowed 'Trans proline' 0 C--N 1.369 1.617 0 N-CA-C 122.095 3.844 . . . . 0.0 122.095 164.453 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . 0.44 0.0 OUTLIER -114.66 -26.95 7.65 Favored 'General case' 0 CA--C 1.543 0.677 2 CA-C-N 105.93 -5.123 . . . . 0.0 116.754 -171.454 . . . . . . . . 4 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 . . . . . 0 C--O 1.249 1.067 0 C-N-CA 129.018 2.927 . . . . 0.0 114.841 -161.169 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 114.703 -2.57 . . . . 0.0 115.391 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.387 5.6 tt -161.84 130.62 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 130.676 3.59 . . . . 0.0 108.96 -150.314 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.364 1.0 OUTLIER -76.49 38.44 0.19 Allowed 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 131.114 3.765 . . . . 0.0 116.949 171.037 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -127.77 162.6 26.25 Favored 'General case' 0 N--CA 1.48 1.031 1 C-N-CA 136.526 5.93 . . . . 0.0 113.887 -172.416 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -79.05 108.85 12.84 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 131.274 3.83 . . . . 0.0 113.61 161.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.321 0.6 OUTLIER -108.95 18.78 20.31 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 131.452 3.901 . . . . 0.0 118.174 176.324 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -72.19 9.41 0.99 Allowed 'General case' 0 CA--C 1.551 1.008 1 C-N-CA 132.605 4.362 . . . . 0.0 116.951 167.345 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -63.32 -22.67 67.02 Favored 'General case' 0 N--CA 1.477 0.897 1 C-N-CA 134.022 4.929 . . . . 0.0 117.767 150.209 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.7 m -70.15 -15.11 62.91 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 129.34 3.056 . . . . 0.0 117.616 163.095 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.794 ' HA ' HG22 ' A' ' 13' ' ' THR 0.29 0.6 OUTLIER -74.81 -41.51 59.82 Favored 'General case' 0 C--N 1.345 0.377 0 C-N-CA 130.396 3.478 . . . . 0.0 115.872 149.897 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.04 -4.25 27.66 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 119.716 3.228 . . . . 0.0 119.716 -178.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.518 ' O ' HD13 ' A' ' 16' ' ' ILE 0.512 0.2 OUTLIER -90.49 -56.27 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 1 CA-C-O 110.353 -4.641 . . . . 0.0 116.479 148.588 . . . . . . . . 5 4 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.794 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.537 0.4 OUTLIER -51.37 -58.54 5.96 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 129.872 3.269 . . . . 0.0 119.647 -176.187 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.446 0.0 OUTLIER -51.31 -31.8 22.9 Favored 'General case' 0 N--CA 1.473 0.718 2 C-N-CA 140.386 7.474 . . . . 0.0 122.496 154.077 . . . . . . . . 4 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -95.61 -25.45 13.53 Favored Glycine 0 C--N 1.336 0.549 0 CA-C-O 113.66 -3.856 . . . . 0.0 119.21 -167.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.518 HD13 ' O ' ' A' ' 12' ' ' ILE 0.556 0.1 OUTLIER -62.3 -29.74 47.36 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.849 0 N-CA-C 118.062 2.615 . . . . 0.0 118.062 145.846 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.28 0.0 OUTLIER -78.2 -37.42 22.33 Favored 'Isoleucine or valine' 0 C--N 1.358 0.962 0 C-N-CA 131.577 3.951 . . . . 0.0 114.942 168.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.427 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -63.99 -37.6 88.0 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 112.858 -3.448 . . . . 0.0 117.12 160.26 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 5.8 mtp -69.76 -22.65 63.34 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-O 113.113 -3.327 . . . . 0.0 117.147 173.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.499 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 2.0 p -84.02 -31.38 25.47 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 113.774 -3.012 . . . . 0.0 118.129 164.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.293 4.6 mt -78.79 -24.55 44.54 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 131.431 3.893 . . . . 0.0 116.834 166.439 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.427 HG22 ' O ' ' A' ' 18' ' ' MET 0.484 2.6 tp -74.51 -44.62 47.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 131.012 3.725 . . . . 0.0 118.09 170.622 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.267 86.2 t -75.35 -16.74 15.85 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.716 1 C-N-CA 133.685 4.794 . . . . 0.0 110.672 170.788 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.503 ' O ' HG13 ' A' ' 28' ' ' VAL 0.724 1.2 mp -88.33 -34.66 7.26 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 N-CA-C 120.026 3.343 . . . . 0.0 120.026 164.544 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.538 3.0 m-30 -64.74 -30.67 71.68 Favored 'General case' 0 N--CA 1.474 0.734 1 C-N-CA 133.356 4.662 . . . . 0.0 116.847 164.669 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -72.2 -14.11 61.71 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 120.339 3.459 . . . . 0.0 120.339 161.085 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.51 -15.6 18.61 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 127.81 2.444 . . . . 0.0 116.549 171.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.503 HG13 ' O ' ' A' ' 24' ' ' ILE 0.449 1.0 OUTLIER -104.07 -56.56 5.01 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 C-N-CA 131.16 3.784 . . . . 0.0 115.522 179.142 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.71 -47.96 14.45 Favored 'General case' 0 CA--C 1.546 0.804 1 C-N-CA 134.656 5.182 . . . . 0.0 116.245 -178.57 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.4 m -93.42 170.43 9.62 Favored 'General case' 0 N--CA 1.477 0.91 1 C-N-CA 132.783 4.433 . . . . 0.0 118.658 158.432 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.441 0.8 OUTLIER -63.95 123.13 18.18 Favored 'General case' 0 N--CA 1.476 0.834 1 C-N-CA 132.143 4.177 . . . . 0.0 120.323 161.817 . . . . . . . . 4 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 3.2 ptt? -102.05 167.38 10.06 Favored 'General case' 0 N--CA 1.477 0.905 1 C-N-CA 133.098 4.559 . . . . 0.0 117.837 167.145 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . 0.259 12.0 p -50.51 119.65 11.44 Favored Pre-proline 0 N--CA 1.477 0.914 0 C-N-CA 131.307 3.843 . . . . 0.0 119.441 152.476 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . 0.384 11.4 Cg_endo -69.74 -34.22 15.07 Favored 'Trans proline' 0 C--N 1.37 1.671 1 N-CA-C 122.726 4.087 . . . . 0.0 122.726 -175.917 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -79.57 102.12 8.68 Favored 'General case' 0 N--CA 1.474 0.766 1 C-N-CA 132.804 4.442 . . . . 0.0 111.974 157.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . 0.281 12.2 p-10 . . . . . 0 C--O 1.251 1.152 0 CA-C-N 109.001 -3.727 . . . . 0.0 118.537 158.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 0.432 13.9 ptt? . . . . . 0 N--CA 1.488 1.453 0 CA-C-O 116.508 -1.711 . . . . 0.0 113.741 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.297 2.7 pp -142.57 144.57 24.41 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.936 1 C-N-CA 132.761 4.424 . . . . 0.0 110.519 -154.513 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.503 68.0 m 66.6 172.5 0.25 Allowed 'General case' 0 N--CA 1.484 1.24 1 C-N-CA 135.785 5.634 . . . . 0.0 121.184 -173.868 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . 0.257 10.5 m-20 -89.07 92.68 9.31 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 129.119 2.967 . . . . 0.0 113.167 175.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -157.31 137.86 13.03 Favored 'General case' 0 N--CA 1.478 0.964 1 C-N-CA 134.466 5.106 . . . . 0.0 113.964 -167.253 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.268 0.0 OUTLIER -68.36 7.96 0.53 Allowed 'General case' 0 N--CA 1.48 1.047 1 C-N-CA 133.568 4.747 . . . . 0.0 121.127 163.817 . . . . . . . . 4 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.25 3.0 mm? -56.81 0.45 0.04 OUTLIER 'General case' 0 CA--C 1.549 0.939 1 C-N-CA 132.88 4.472 . . . . 0.0 118.276 164.357 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -56.88 -23.65 46.18 Favored 'General case' 0 N--CA 1.477 0.915 1 C-N-CA 134.216 5.006 . . . . 0.0 118.374 156.26 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.5 m -59.12 -23.55 62.23 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 120.284 3.439 . . . . 0.0 120.284 156.173 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.747 ' HA ' HG22 ' A' ' 13' ' ' THR 0.337 0.7 OUTLIER -75.09 -43.65 51.8 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 130.376 3.47 . . . . 0.0 115.52 154.264 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.87 -8.23 20.89 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 120.365 3.469 . . . . 0.0 120.365 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.467 ' O ' HD13 ' A' ' 16' ' ' ILE 0.459 0.9 OUTLIER -91.26 -60.68 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 2 CA-C-O 110.887 -4.387 . . . . 0.0 113.729 154.354 . . . . . . . . 5 4 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.747 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.553 0.3 OUTLIER -46.31 -59.96 2.61 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 130.74 3.616 . . . . 0.0 120.381 -178.604 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.411 0.0 OUTLIER -52.51 -32.74 41.79 Favored 'General case' 0 N--CA 1.471 0.61 2 C-N-CA 140.847 7.659 . . . . 0.0 122.03 156.614 . . . . . . . . 4 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.521 ' HA2' ' HB3' ' A' ' 18' ' ' MET . . . -96.85 -23.29 15.73 Favored Glycine 0 CA--C 1.523 0.559 0 C-N-CA 130.649 3.976 . . . . 0.0 119.34 -167.26 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.467 HD13 ' O ' ' A' ' 12' ' ' ILE 0.523 0.1 OUTLIER -63.95 -32.58 57.73 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.87 0 CA-C-O 114.963 -2.446 . . . . 0.0 117.437 144.767 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.299 0.0 OUTLIER -72.89 -38.03 55.78 Favored 'Isoleucine or valine' 0 C--N 1.359 0.981 0 C-N-CA 131.408 3.883 . . . . 0.0 114.455 166.264 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.521 ' HB3' ' HA2' ' A' ' 15' ' ' GLY 0.254 0.8 OUTLIER -66.7 -38.57 87.0 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-O 112.006 -3.854 . . . . 0.0 116.248 164.155 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.34 -25.61 68.38 Favored 'General case' 0 C--N 1.343 0.325 0 CA-C-O 112.569 -3.586 . . . . 0.0 118.574 168.386 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.494 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 1.2 p -84.35 -33.41 23.86 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 114.058 -2.877 . . . . 0.0 116.546 169.645 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.257 10.5 mp -77.72 -30.95 51.96 Favored 'General case' 0 CA--C 1.546 0.813 1 CA-C-O 111.3 -4.19 . . . . 0.0 115.382 171.565 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.465 HG22 ' O ' ' A' ' 18' ' ' MET 0.536 2.5 tp -65.64 -50.02 74.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 1 C-N-CA 132.135 4.174 . . . . 0.0 118.765 168.254 . . . . . . . . 4 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.254 84.8 t -72.78 -18.05 18.46 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 1 C-N-CA 133.789 4.836 . . . . 0.0 110.629 175.258 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.505 ' O ' HG13 ' A' ' 28' ' ' VAL 0.69 1.2 mp -86.29 -40.36 14.26 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 C-N-CA 129.765 3.226 . . . . 0.0 118.999 165.104 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.549 3.2 m-85 -55.91 -31.69 63.1 Favored 'General case' 0 N--CA 1.474 0.758 2 C-N-CA 133.763 4.825 . . . . 0.0 116.543 161.599 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -71.44 -19.18 62.27 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 120.828 3.64 . . . . 0.0 120.828 163.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -102.94 -14.05 16.67 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 129.695 3.198 . . . . 0.0 116.32 175.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.505 HG13 ' O ' ' A' ' 24' ' ' ILE 0.47 0.7 OUTLIER -100.71 -64.04 1.58 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 C-N-CA 130.604 3.561 . . . . 0.0 113.82 172.368 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.23 -1.95 0.39 Allowed 'General case' 0 CA--C 1.548 0.881 1 C-N-CA 134.521 5.129 . . . . 0.0 120.886 162.07 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.5 t -29.61 149.25 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.809 1 C-N-CA 134.59 5.156 . . . . 0.0 121.628 147.063 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.408 28.6 m -82.03 93.1 6.91 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 128.734 2.813 . . . . 0.0 110.341 -172.345 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -167.41 161.14 13.86 Favored 'General case' 0 N--CA 1.476 0.842 2 C-N-CA 137.319 6.248 . . . . 0.0 112.304 -148.263 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 m -39.31 126.31 1.35 Allowed Pre-proline 0 N--CA 1.481 1.113 2 N-CA-C 123.246 4.535 . . . . 0.0 123.246 163.011 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . 0.317 5.9 Cg_exo -73.21 120.05 6.35 Favored 'Trans proline' 0 C--N 1.366 1.467 2 C-N-CA 126.228 4.619 . . . . 0.0 123.619 173.519 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . 0.474 0.3 OUTLIER -92.43 -41.35 10.36 Favored 'General case' 0 N--CA 1.472 0.65 1 C-N-CA 133.231 4.612 . . . . 0.0 118.451 179.8 . . . . . . . . 4 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . 0.341 1.2 t-20 . . . . . 0 C--O 1.254 1.318 0 C-N-CA 129.34 3.056 . . . . 0.0 105.147 -168.365 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 114.066 1.136 . . . . 0.0 114.066 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.329 0.2 OUTLIER -112.98 154.26 14.42 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 C-N-CA 130.458 3.503 . . . . 0.0 114.412 168.64 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.73 138.02 29.97 Favored 'General case' 0 N--CA 1.473 0.719 1 C-N-CA 132.948 4.499 . . . . 0.0 121.554 161.358 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . 0.398 2.7 p-10 -88.64 73.52 8.56 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 130.277 3.431 . . . . 0.0 115.063 -167.289 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -138.55 135.81 35.41 Favored 'General case' 0 N--CA 1.474 0.769 1 C-N-CA 134.699 5.2 . . . . 0.0 111.934 -176.341 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.67 0.0 OUTLIER 67.53 19.41 9.93 Favored 'General case' 0 N--CA 1.48 1.049 1 C-N-CA 136.134 5.774 . . . . 0.0 120.423 -171.754 . . . . . . . . 4 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.311 1.6 mm? -64.56 -4.47 4.12 Favored 'General case' 0 CA--C 1.547 0.851 1 C-N-CA 132.114 4.166 . . . . 0.0 118.863 177.015 . . . . . . . . 3 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -54.19 -9.24 0.25 Allowed 'General case' 0 N--CA 1.478 0.937 1 C-N-CA 134.474 5.11 . . . . 0.0 118.326 149.49 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.264 3.4 p -59.36 -10.19 2.93 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 130.915 3.686 . . . . 0.0 120.943 150.299 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.715 ' HA ' HG22 ' A' ' 13' ' ' THR 0.353 0.5 OUTLIER -70.65 -46.97 62.26 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 130.891 3.676 . . . . 0.0 116.663 152.176 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.09 -3.38 3.61 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 120.006 3.336 . . . . 0.0 120.006 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.484 0.3 OUTLIER -100.31 -51.9 9.25 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 C-N-CA 129.93 3.292 . . . . 0.0 114.159 157.603 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.715 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.567 0.3 OUTLIER -52.58 -62.12 1.85 Allowed 'General case' 0 N--CA 1.481 1.117 1 C-N-CA 132.168 4.187 . . . . 0.0 119.196 178.811 . . . . . . . . 5 4 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.381 0.0 OUTLIER -49.54 -30.05 7.89 Favored 'General case' 0 N--CA 1.471 0.602 1 C-N-CA 139.454 7.101 . . . . 0.0 121.04 151.254 . . . . . . . . 4 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -92.14 -33.99 7.41 Favored Glycine 0 C--N 1.334 0.429 0 C-N-CA 128.768 3.08 . . . . 0.0 117.459 -165.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . 0.602 1.0 OUTLIER -59.31 -33.01 49.7 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 CA-C-O 112.862 -3.447 . . . . 0.0 117.666 152.421 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -78.26 -38.78 23.77 Favored 'Isoleucine or valine' 0 C--N 1.358 0.96 1 C-N-CA 132.133 4.173 . . . . 0.0 114.448 171.168 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.475 ' O ' HG22 ' A' ' 22' ' ' ILE . 2.3 mtt -69.98 -27.33 64.63 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-O 112.43 -3.652 . . . . 0.0 118.831 160.675 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . 0.252 1.6 tpt -73.43 -32.0 64.14 Favored 'General case' 0 C--N 1.347 0.482 0 CA-C-O 113.214 -3.279 . . . . 0.0 115.735 167.236 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.582 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 14.7 p -81.49 -33.36 31.96 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 112.271 -3.728 . . . . 0.0 115.371 178.482 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.414 12.1 mt -65.3 -37.91 88.6 Favored 'General case' 0 N--CA 1.475 0.806 1 CA-C-O 109.52 -5.038 . . . . 0.0 118.393 153.933 . . . . . . . . 3 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.475 HG22 ' O ' ' A' ' 18' ' ' MET 0.578 1.9 tp -67.79 -43.55 86.22 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 CA-C-N 125.282 3.674 . . . . 0.0 119.101 174.032 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 89.7 t -78.79 -19.73 13.06 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 1 C-N-CA 134.144 4.978 . . . . 0.0 109.639 175.718 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.582 ' HB ' ' O ' ' A' ' 20' ' ' THR 0.777 1.1 mp -83.87 -41.01 16.23 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 N-CA-C 120.421 3.489 . . . . 0.0 120.421 164.244 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.502 2.4 m-85 -58.24 -25.14 61.35 Favored 'General case' 0 N--CA 1.477 0.901 1 C-N-CA 133.737 4.815 . . . . 0.0 117.738 161.277 . . . . . . . . 3 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -77.11 -15.18 59.66 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 130.771 3.629 . . . . 0.0 119.684 160.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.06 -15.53 20.96 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 117.916 2.562 . . . . 0.0 117.916 171.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.515 HG13 ' O ' ' A' ' 24' ' ' ILE 0.436 0.8 OUTLIER -103.69 -55.13 6.01 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 1 C-N-CA 131.96 4.104 . . . . 0.0 114.974 178.78 . . . . . . . . 5 4 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -83.86 -56.43 3.7 Favored 'General case' 0 CA--C 1.544 0.722 1 C-N-CA 133.427 4.691 . . . . 0.0 114.662 -175.143 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.4 m -73.97 150.44 40.75 Favored 'General case' 0 N--CA 1.477 0.893 1 C-N-CA 132.75 4.42 . . . . 0.0 119.363 154.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.327 33.7 m -81.77 86.63 6.42 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 130.944 3.698 . . . . 0.0 113.357 -173.72 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.3 mmt -132.57 168.01 19.01 Favored 'General case' 0 N--CA 1.475 0.814 1 C-N-CA 136.268 5.827 . . . . 0.0 112.567 169.334 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . 0.312 38.1 p -32.98 102.06 0.2 Allowed Pre-proline 0 N--CA 1.479 0.977 2 C-N-CA 134.224 5.01 . . . . 0.0 122.662 161.794 . . . . . . . . 3 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . 0.363 11.4 Cg_endo -81.95 131.64 7.07 Favored 'Trans proline' 0 C--N 1.37 1.702 2 C-N-CA 126.47 4.78 . . . . 0.0 124.386 -177.213 . . . . . . . . 3 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . 0.495 0.0 OUTLIER -105.61 -46.9 4.05 Favored 'General case' 0 N--CA 1.479 0.977 1 C-N-CA 134.341 5.057 . . . . 0.0 117.189 -176.13 . . . . . . . . 4 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . 0.512 1.0 OUTLIER . . . . . 0 C--O 1.252 1.2 0 C-N-CA 127.438 2.295 . . . . 0.0 107.704 -159.713 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 0.253 1.4 mpp? . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 114.522 -2.656 . . . . 0.0 115.416 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.349 0.9 OUTLIER -123.5 131.93 72.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 131.251 3.82 . . . . 0.0 112.079 -166.12 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.392 2.3 m -90.75 81.27 5.8 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 126.46 1.904 . . . . 0.0 115.114 -175.42 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -139.05 152.48 47.6 Favored 'General case' 0 N--CA 1.473 0.694 2 C-N-CA 136.866 6.066 . . . . 0.0 111.275 -167.666 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -78.43 110.74 13.76 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 130.243 3.417 . . . . 0.0 113.193 152.05 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.312 0.0 OUTLIER -112.79 21.39 15.57 Favored 'General case' 0 N--CA 1.478 0.941 1 C-N-CA 132.332 4.253 . . . . 0.0 117.244 171.202 . . . . . . . . 4 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -72.47 11.45 0.61 Allowed 'General case' 0 CA--C 1.553 1.069 1 C-N-CA 132.317 4.247 . . . . 0.0 117.257 165.528 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.98 -31.81 72.21 Favored 'General case' 0 N--CA 1.479 0.976 1 C-N-CA 133.148 4.579 . . . . 0.0 117.633 151.873 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.0 m -62.27 -18.25 60.76 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 120.445 3.498 . . . . 0.0 120.445 159.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.741 ' HA ' HG22 ' A' ' 13' ' ' THR 0.303 0.7 OUTLIER -78.88 -42.24 27.79 Favored 'General case' 0 CA--C 1.534 0.34 1 CA-C-O 111.667 -4.016 . . . . 0.0 114.886 152.082 . . . . . . . . 5 4 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.32 -4.58 26.82 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 120.186 3.402 . . . . 0.0 120.186 -177.172 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.495 ' O ' HD13 ' A' ' 16' ' ' ILE 0.446 0.8 OUTLIER -96.15 -54.48 7.04 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 2 CA-C-O 110.062 -4.78 . . . . 0.0 113.439 157.05 . . . . . . . . 5 4 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.741 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.562 0.4 OUTLIER -51.43 -60.48 3.09 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 130.521 3.528 . . . . 0.0 119.896 179.813 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.399 0.0 OUTLIER -53.18 -27.22 20.34 Favored 'General case' 0 N--CA 1.472 0.647 1 C-N-CA 140.711 7.604 . . . . 0.0 121.738 155.752 . . . . . . . . 4 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -95.91 -31.86 7.13 Favored Glycine 0 CA--C 1.521 0.46 1 CA-C-O 112.899 -4.278 . . . . 0.0 117.873 -166.133 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.495 HD13 ' O ' ' A' ' 12' ' ' ILE 0.546 0.1 OUTLIER -60.2 -29.26 43.53 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.808 0 N-CA-C 118.073 2.619 . . . . 0.0 118.073 148.176 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.33 0.0 OUTLIER -77.18 -37.77 26.4 Favored 'Isoleucine or valine' 0 C--N 1.357 0.909 0 C-N-CA 131.585 3.954 . . . . 0.0 115.641 167.803 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.412 ' O ' HG22 ' A' ' 22' ' ' ILE 0.253 2.5 ttp -67.06 -36.43 82.02 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-O 112.449 -3.644 . . . . 0.0 116.695 161.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 32.2 mtm -65.85 -24.41 66.88 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-O 113.784 -3.007 . . . . 0.0 117.155 169.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.455 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 2.0 p -85.97 -29.91 23.17 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 113.633 -3.08 . . . . 0.0 117.964 166.337 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.302 5.3 mt -75.94 -29.39 58.3 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-O 111.72 -3.991 . . . . 0.0 116.871 162.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.412 HG22 ' O ' ' A' ' 18' ' ' MET 0.526 2.0 tp -69.94 -44.96 78.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 131.105 3.762 . . . . 0.0 118.351 172.459 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.259 67.1 t -76.87 -16.89 14.71 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 1 C-N-CA 134.224 5.01 . . . . 0.0 110.589 172.05 . . . . . . . . 3 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.507 ' O ' HG13 ' A' ' 28' ' ' VAL 0.763 1.1 mp -85.97 -36.63 10.87 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 N-CA-C 121.596 3.925 . . . . 0.0 121.596 163.427 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.46 2.6 m-85 -63.73 -30.69 71.76 Favored 'General case' 0 N--CA 1.477 0.894 1 C-N-CA 134.4 5.08 . . . . 0.0 116.45 161.898 . . . . . . . . 3 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -75.56 -6.99 53.06 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 120.735 3.606 . . . . 0.0 120.735 158.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . 0.336 . . -93.28 -38.4 11.54 Favored 'General case' 0 CA--C 1.537 0.443 1 CA-C-O 109.249 -5.167 . . . . 0.0 115.662 157.916 . . . . . . . . 3 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.507 HG13 ' O ' ' A' ' 24' ' ' ILE 0.537 0.9 OUTLIER -87.36 -53.21 10.46 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 N-CA-C 118.159 2.651 . . . . 0.0 118.159 -174.668 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -69.22 -46.76 66.6 Favored 'General case' 0 N--CA 1.473 0.705 1 C-N-CA 134.498 5.119 . . . . 0.0 116.147 177.682 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.9 t -72.39 159.21 34.37 Favored 'General case' 0 N--CA 1.476 0.869 1 C-N-CA 134.639 5.176 . . . . 0.0 118.708 162.545 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.288 25.8 p -73.22 84.63 1.38 Allowed 'General case' 0 N--CA 1.475 0.808 1 C-N-CA 131.929 4.091 . . . . 0.0 116.432 -157.613 . . . . . . . . 3 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.441 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -134.47 163.66 29.21 Favored 'General case' 0 N--CA 1.473 0.679 1 C-N-CA 133.991 4.916 . . . . 0.0 116.204 -175.821 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . 0.253 90.7 p -76.42 98.97 0.29 Allowed Pre-proline 0 CA--C 1.548 0.875 0 N-CA-C 121.373 3.842 . . . . 0.0 121.373 138.731 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.441 ' HD3' ' HB3' ' A' ' 32' ' ' MET 0.342 11.5 Cg_endo -86.05 166.9 9.64 Favored 'Trans proline' 0 C--N 1.369 1.647 2 C-N-CA 128.132 5.888 . . . . 0.0 122.937 153.184 . . . . . . . . 4 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . 0.409 0.5 OUTLIER -54.03 -35.91 62.46 Favored 'General case' 0 N--CA 1.481 1.096 1 C-N-CA 133.81 4.844 . . . . 0.0 120.449 177.113 . . . . . . . . 4 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . 0.756 9.5 m-80 . . . . . 0 C--O 1.252 1.204 2 N-CA-C 127.649 6.166 . . . . 0.0 127.649 -158.169 . . . . . . . . 2 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mmt . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.257 2.8 mt -128.26 102.67 8.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 131.201 3.8 . . . . 0.0 106.623 179.287 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 t -126.65 -66.18 0.92 Allowed 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 131.219 3.808 . . . . 0.0 113.132 159.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -144.23 134.87 24.87 Favored 'General case' 0 N--CA 1.477 0.896 1 C-N-CA 133.099 4.559 . . . . 0.0 110.985 -157.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.251 21.7 mt-10 -81.34 103.69 11.28 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 130.126 3.371 . . . . 0.0 115.041 -175.032 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.319 6.5 mt-30 -117.76 7.03 12.39 Favored 'General case' 0 CA--C 1.543 0.696 1 C-N-CA 133.306 4.643 . . . . 0.0 115.335 -169.482 . . . . . . . . 3 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -64.27 9.82 0.07 Allowed 'General case' 0 CA--C 1.552 1.057 1 C-N-CA 134.855 5.262 . . . . 0.0 118.25 160.159 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -65.73 -34.9 79.26 Favored 'General case' 0 N--CA 1.477 0.912 1 C-N-CA 132.978 4.511 . . . . 0.0 116.344 154.024 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.26 -13.5 62.43 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 130.352 3.461 . . . . 0.0 118.631 162.017 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.861 ' HA ' HG22 ' A' ' 13' ' ' THR . 0.4 OUTLIER -80.85 -46.46 15.26 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 112.845 -3.455 . . . . 0.0 115.335 149.644 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.83 -11.67 29.24 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 120.042 3.349 . . . . 0.0 120.042 -176.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.522 ' O ' HD13 ' A' ' 16' ' ' ILE 0.515 0.7 OUTLIER -89.66 -55.59 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 1 CA-C-O 109.853 -4.88 . . . . 0.0 115.561 155.007 . . . . . . . . 5 4 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.861 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.551 0.4 OUTLIER -48.65 -59.35 3.6 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 130.496 3.518 . . . . 0.0 119.483 179.535 . . . . . . . . 4 4 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.403 0.0 OUTLIER -53.72 -28.52 34.56 Favored 'General case' 0 N--CA 1.472 0.638 2 C-N-CA 141.243 7.817 . . . . 0.0 122.305 156.242 . . . . . . . . 4 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -98.86 -30.31 6.83 Favored Glycine 0 C--N 1.335 0.481 1 CA-C-O 112.235 -4.647 . . . . 0.0 117.173 -163.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.522 HD13 ' O ' ' A' ' 12' ' ' ILE 0.518 0.1 OUTLIER -60.81 -29.57 45.48 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 CA-C-O 114.682 -2.58 . . . . 0.0 117.477 148.454 . . . . . . . . 4 4 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -78.73 -33.48 16.64 Favored 'Isoleucine or valine' 0 C--N 1.358 0.958 0 C-N-CA 131.173 3.789 . . . . 0.0 114.64 168.639 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.445 ' O ' HG22 ' A' ' 22' ' ' ILE . 2.3 tmm? -72.97 -34.65 66.61 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 112.18 -3.771 . . . . 0.0 115.747 164.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 17.5 mtm -71.02 -23.39 62.16 Favored 'General case' 0 C--N 1.345 0.406 0 CA-C-O 113.359 -3.21 . . . . 0.0 116.994 171.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.491 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 3.3 p -79.81 -36.07 37.52 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 113.411 -3.185 . . . . 0.0 117.771 163.664 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.3 4.0 mt -75.34 -27.93 59.4 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 131.058 3.743 . . . . 0.0 116.789 168.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.445 HG22 ' O ' ' A' ' 18' ' ' MET 0.52 2.1 tp -69.18 -45.5 79.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 131.521 3.928 . . . . 0.0 118.192 168.794 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.288 91.1 t -75.8 -18.25 15.56 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 1 C-N-CA 134.116 4.966 . . . . 0.0 111.125 172.375 . . . . . . . . 3 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.506 ' O ' HG13 ' A' ' 28' ' ' VAL 0.749 1.1 mp -86.31 -37.47 11.62 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 N-CA-C 120.798 3.629 . . . . 0.0 120.798 165.08 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.478 2.6 m-85 -61.67 -32.71 72.9 Favored 'General case' 0 N--CA 1.478 0.964 1 C-N-CA 134.725 5.21 . . . . 0.0 115.318 161.635 . . . . . . . . 3 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -73.44 -7.02 50.01 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 120.704 3.594 . . . . 0.0 120.704 161.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -101.59 -28.65 12.4 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 114.019 -2.896 . . . . 0.0 116.634 164.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.506 HG13 ' O ' ' A' ' 24' ' ' ILE 0.51 0.7 OUTLIER -92.6 -61.89 1.88 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 130.267 3.427 . . . . 0.0 115.706 -179.482 . . . . . . . . 4 4 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -57.36 -31.37 65.69 Favored 'General case' 0 N--CA 1.476 0.839 1 C-N-CA 134.898 5.279 . . . . 0.0 117.707 174.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.6 p -59.44 157.61 10.95 Favored 'General case' 0 N--CA 1.474 0.742 1 C-N-CA 133.541 4.736 . . . . 0.0 119.806 160.529 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.462 0.8 OUTLIER -68.04 89.63 0.3 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 130.613 3.565 . . . . 0.0 116.631 -168.553 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.38 168.42 9.99 Favored 'General case' 0 N--CA 1.474 0.741 1 C-N-CA 134.587 5.155 . . . . 0.0 114.717 179.715 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.5 m -42.7 120.22 2.6 Favored Pre-proline 0 N--CA 1.477 0.908 0 N-CA-C 120.246 3.424 . . . . 0.0 120.246 148.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . 0.465 33.2 Cg_endo -68.97 139.19 42.33 Favored 'Trans proline' 0 C--N 1.367 1.552 2 C-N-CA 126.749 4.966 . . . . 0.0 122.516 168.516 . . . . . . . . 3 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . 0.297 0.0 OUTLIER -48.71 -42.12 34.02 Favored 'General case' 0 N--CA 1.486 1.35 1 C-N-CA 135.642 5.577 . . . . 0.0 118.081 -168.998 . . . . . . . . 4 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.4 t30 . . . . . 0 C--O 1.25 1.127 1 C-N-CA 134.386 5.075 . . . . 0.0 121.513 -162.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.5 mmt . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 113.804 1.039 . . . . 0.0 113.804 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.5 mp -108.28 112.5 40.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 C-N-CA 131.557 3.943 . . . . 0.0 107.696 173.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.62 121.18 10.95 Favored 'General case' 0 N--CA 1.469 0.497 1 C-N-CA 132.662 4.385 . . . . 0.0 118.038 169.448 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . 0.393 1.9 p-10 -74.62 93.86 2.59 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 109.805 -3.361 . . . . 0.0 114.911 -171.782 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -109.39 124.5 51.1 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 131.661 3.984 . . . . 0.0 114.285 -171.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.305 3.2 pt20 -47.94 -2.07 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.714 2 C-N-CA 135.562 5.545 . . . . 0.0 121.883 162.703 . . . . . . . . 3 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -64.0 6.43 0.17 Allowed 'General case' 0 CA--C 1.55 0.976 1 C-N-CA 134.697 5.199 . . . . 0.0 118.315 160.45 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -64.01 -14.17 52.13 Favored 'General case' 0 N--CA 1.475 0.817 1 C-N-CA 133.174 4.59 . . . . 0.0 117.569 145.47 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.1 m -69.37 -15.77 63.38 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 129.831 3.253 . . . . 0.0 117.122 158.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.821 ' HA ' HG22 ' A' ' 13' ' ' THR 0.302 1.0 OUTLIER -71.6 -47.22 56.14 Favored 'General case' 0 C--N 1.348 0.525 0 C-N-CA 130.685 3.594 . . . . 0.0 115.484 151.159 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.53 -4.68 9.03 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 120.997 3.703 . . . . 0.0 120.997 -178.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.49 ' O ' HD13 ' A' ' 16' ' ' ILE 0.46 0.8 OUTLIER -95.0 -55.62 5.95 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 2 CA-C-O 109.944 -4.836 . . . . 0.0 113.253 156.365 . . . . . . . . 5 4 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.821 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.569 0.4 OUTLIER -50.89 -61.83 1.98 Allowed 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 130.359 3.463 . . . . 0.0 118.716 -178.747 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.397 0.0 OUTLIER -52.49 -24.51 8.15 Favored 'General case' 0 N--CA 1.473 0.72 2 C-N-CA 140.768 7.627 . . . . 0.0 122.217 156.52 . . . . . . . . 4 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -100.29 -33.8 5.02 Favored Glycine 0 C--N 1.333 0.396 1 CA-C-O 111.343 -5.143 . . . . 0.0 116.317 -162.297 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.49 HD13 ' O ' ' A' ' 12' ' ' ILE 0.515 0.1 OUTLIER -60.05 -30.52 45.81 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.837 0 O-C-N 127.753 2.678 . . . . 0.0 117.41 148.202 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.35 0.1 OUTLIER -75.93 -33.47 25.36 Favored 'Isoleucine or valine' 0 C--N 1.357 0.912 0 C-N-CA 130.754 3.622 . . . . 0.0 115.356 165.825 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.464 ' O ' HG22 ' A' ' 22' ' ' ILE 0.285 0.0 OUTLIER -71.42 -38.99 71.36 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-O 113.199 -3.286 . . . . 0.0 117.238 162.393 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.2 mmt -64.39 -19.33 65.43 Favored 'General case' 0 C--N 1.343 0.3 0 CA-C-O 112.958 -3.401 . . . . 0.0 117.157 171.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.508 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 5.1 p -89.45 -35.24 16.11 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 113.929 -2.939 . . . . 0.0 116.588 168.632 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.2 mp -79.46 -25.32 41.94 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 130.655 3.582 . . . . 0.0 115.319 173.136 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.464 HG22 ' O ' ' A' ' 18' ' ' MET 0.494 2.0 tp -68.39 -49.28 67.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 131.51 3.924 . . . . 0.0 118.13 165.552 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.25 90.6 t -72.92 -17.89 18.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 1 C-N-CA 134.238 5.015 . . . . 0.0 111.182 173.689 . . . . . . . . 3 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.508 ' HB ' ' O ' ' A' ' 20' ' ' THR 0.714 1.1 mp -85.46 -36.92 11.55 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 N-CA-C 120.359 3.466 . . . . 0.0 120.359 163.942 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.499 3.1 m-85 -60.59 -28.27 68.36 Favored 'General case' 0 N--CA 1.477 0.901 1 C-N-CA 134.055 4.942 . . . . 0.0 117.475 162.41 . . . . . . . . 3 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -76.63 -13.89 60.02 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 120.606 3.558 . . . . 0.0 120.606 162.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.33 -16.79 19.2 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 128.072 2.549 . . . . 0.0 117.223 168.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.508 HG13 ' O ' ' A' ' 24' ' ' ILE 0.464 0.9 OUTLIER -101.45 -60.07 3.02 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 C-N-CA 131.222 3.809 . . . . 0.0 114.855 178.648 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -78.81 -52.53 8.21 Favored 'General case' 0 N--CA 1.473 0.704 1 C-N-CA 134.346 5.058 . . . . 0.0 116.013 -178.592 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.77 166.88 15.72 Favored 'General case' 0 N--CA 1.475 0.777 1 C-N-CA 133.893 4.877 . . . . 0.0 119.626 158.327 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.409 1.3 t -82.88 121.64 27.21 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 130.583 3.553 . . . . 0.0 118.246 164.368 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.52 151.76 20.28 Favored 'General case' 0 N--CA 1.475 0.796 1 C-N-CA 132.38 4.272 . . . . 0.0 114.382 156.656 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.13 120.05 51.09 Favored Pre-proline 0 N--CA 1.473 0.715 0 N-CA-C 117.951 2.574 . . . . 0.0 117.951 140.739 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . 0.321 17.7 Cg_endo -80.27 173.02 12.99 Favored 'Trans proline' 0 C--N 1.363 1.323 0 C-N-CA 124.71 3.607 . . . . 0.0 120.324 159.111 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . 0.326 0.3 OUTLIER -51.92 -42.16 62.57 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-O 112.33 -3.7 . . . . 0.0 115.643 176.018 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . 0.37 0.2 OUTLIER . . . . . 0 C--O 1.253 1.277 0 C-N-CA 128.436 2.695 . . . . 0.0 107.973 -164.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mtt . . . . . 0 N--CA 1.489 1.499 0 CA-C-O 120.765 0.317 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.302 1.4 tp -122.44 128.01 75.27 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 C-N-CA 131.194 3.798 . . . . 0.0 112.52 -172.666 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.3 m -94.16 93.39 7.77 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 129.78 3.232 . . . . 0.0 114.866 162.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -152.33 151.6 31.07 Favored 'General case' 0 N--CA 1.477 0.917 1 C-N-CA 134.465 5.106 . . . . 0.0 113.26 165.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -78.89 152.6 31.1 Favored 'General case' 0 N--CA 1.486 1.375 1 C-N-CA 134.573 5.149 . . . . 0.0 118.949 157.721 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.554 1.0 OUTLIER 75.89 33.56 0.6 Allowed 'General case' 0 N--CA 1.493 1.713 1 C-N-CA 137.265 6.226 . . . . 0.0 119.176 -169.21 . . . . . . . . 4 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -84.26 14.92 3.89 Favored 'General case' 0 CA--C 1.548 0.896 1 C-N-CA 134.052 4.941 . . . . 0.0 118.361 173.474 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -62.69 -16.51 57.55 Favored 'General case' 0 N--CA 1.477 0.901 1 C-N-CA 133.002 4.521 . . . . 0.0 118.616 143.721 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 m -67.3 -12.23 59.6 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 129.497 3.119 . . . . 0.0 116.14 161.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.718 ' HA ' HG22 ' A' ' 13' ' ' THR 0.361 1.1 tt -69.08 -51.02 43.09 Favored 'General case' 0 C--N 1.349 0.57 0 C-N-CA 130.811 3.644 . . . . 0.0 116.347 150.298 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.19 -0.85 1.88 Allowed 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 121.419 3.859 . . . . 0.0 121.419 -178.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.492 ' O ' HD13 ' A' ' 16' ' ' ILE 0.45 1.2 mp -101.87 -58.09 4.1 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 2 CA-C-O 110.049 -4.786 . . . . 0.0 109.475 160.466 . . . . . . . . 4 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.718 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.556 0.4 OUTLIER -50.03 -60.42 2.95 Favored 'General case' 0 N--CA 1.482 1.14 1 C-N-CA 131.731 4.012 . . . . 0.0 119.127 -179.03 . . . . . . . . 5 4 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.427 0.0 OUTLIER -52.06 -29.03 19.52 Favored 'General case' 0 N--CA 1.472 0.67 2 C-N-CA 139.843 7.257 . . . . 0.0 122.745 157.18 . . . . . . . . 4 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -103.32 -26.96 6.69 Favored Glycine 0 CA--C 1.522 0.503 1 CA-C-O 112.413 -4.548 . . . . 0.0 117.631 -163.751 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.492 HD13 ' O ' ' A' ' 12' ' ' ILE 0.544 0.1 OUTLIER -62.92 -29.75 47.92 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.851 0 CA-C-O 114.628 -2.606 . . . . 0.0 117.462 144.406 . . . . . . . . 4 4 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.3 0.0 OUTLIER -74.33 -34.89 38.1 Favored 'Isoleucine or valine' 0 C--N 1.359 1.014 0 C-N-CA 130.428 3.491 . . . . 0.0 115.465 165.123 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -75.72 -34.63 60.36 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 113.017 -3.373 . . . . 0.0 117.342 168.008 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 11.9 mtt -62.97 -28.14 69.88 Favored 'General case' 0 C--N 1.345 0.403 0 CA-C-O 113.448 -3.168 . . . . 0.0 116.774 166.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.505 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 4.3 p -80.55 -35.17 34.77 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 113.338 -3.22 . . . . 0.0 116.829 169.545 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.375 6.1 mt -71.39 -31.75 67.65 Favored 'General case' 0 N--CA 1.477 0.921 1 CA-C-O 110.746 -4.455 . . . . 0.0 116.975 164.339 . . . . . . . . 3 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . 0.535 1.7 tp -70.07 -41.82 79.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 131.598 3.959 . . . . 0.0 117.836 171.407 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.261 59.2 t -77.56 -19.02 14.07 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 1 C-N-CA 134.85 5.26 . . . . 0.0 110.792 172.339 . . . . . . . . 3 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.555 ' O ' HG13 ' A' ' 28' ' ' VAL 0.752 1.1 mp -88.13 -43.28 15.36 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 N-CA-C 120.296 3.443 . . . . 0.0 120.296 168.184 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.455 3.3 m-30 -52.91 -35.15 57.86 Favored 'General case' 0 N--CA 1.476 0.865 1 C-N-CA 134.974 5.309 . . . . 0.0 116.449 154.959 . . . . . . . . 3 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . 0.364 79.5 t60 -61.71 -25.16 67.25 Favored 'General case' 0 N--CA 1.469 0.476 1 CA-C-O 107.207 -6.139 . . . . 0.0 119.178 159.919 . . . . . . . . 3 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.29 -16.15 18.59 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 117.017 2.229 . . . . 0.0 117.017 177.193 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.555 HG13 ' O ' ' A' ' 24' ' ' ILE 0.434 0.8 OUTLIER -98.62 -60.28 2.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 130.47 3.508 . . . . 0.0 113.542 177.596 . . . . . . . . 4 4 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.23 -6.99 1.67 Allowed 'General case' 0 CA--C 1.545 0.773 1 C-N-CA 133.738 4.815 . . . . 0.0 120.47 157.617 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.69 146.59 1.5 Allowed 'General case' 0 N--CA 1.476 0.829 1 C-N-CA 131.93 4.092 . . . . 0.0 120.163 150.487 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.338 36.6 p -65.8 84.57 0.08 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 131.047 3.739 . . . . 0.0 114.701 -177.143 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -117.58 152.17 35.67 Favored 'General case' 0 N--CA 1.471 0.604 2 C-N-CA 135.253 5.421 . . . . 0.0 110.627 -168.823 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . 0.359 1.0 OUTLIER -52.66 94.75 0.06 OUTLIER Pre-proline 0 N--CA 1.476 0.866 1 C-N-CA 133.362 4.665 . . . . 0.0 117.817 -179.955 . . . . . . . . 4 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . 0.436 9.2 Cg_endo -83.72 108.53 1.45 Allowed 'Trans proline' 0 C--N 1.368 1.56 1 N-CA-C 122.952 4.174 . . . . 0.0 122.952 -171.446 . . . . . . . . 3 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.14 -41.59 9.02 Favored 'General case' 0 N--CA 1.474 0.726 1 C-N-CA 132.169 4.188 . . . . 0.0 114.814 -165.855 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--O 1.254 1.329 0 C-N-CA 127.065 2.146 . . . . 0.0 110.837 174.583 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 0.286 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.255 2.5 pp -122.48 143.95 33.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 1 C-N-CA 132.462 4.305 . . . . 0.0 112.807 -170.621 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.276 67.6 m -101.82 67.3 1.09 Allowed 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 128.224 2.609 . . . . 0.0 114.744 170.424 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -158.61 162.89 37.36 Favored 'General case' 0 N--CA 1.483 1.196 1 C-N-CA 134.219 5.007 . . . . 0.0 115.416 178.633 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.73 115.05 10.47 Favored 'General case' 0 N--CA 1.481 1.124 1 C-N-CA 132.704 4.402 . . . . 0.0 115.533 159.196 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.291 2.0 pt20 -109.95 -11.4 14.66 Favored 'General case' 0 N--CA 1.475 0.787 2 C-N-CA 134.198 4.999 . . . . 0.0 116.249 174.482 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -58.28 6.78 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.011 1 C-N-CA 134.05 4.94 . . . . 0.0 119.446 175.57 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.416 ' HA ' ' HB3' ' A' ' 11' ' ' ALA . 3.8 t-20 -57.27 -36.03 70.5 Favored 'General case' 0 N--CA 1.478 0.943 1 C-N-CA 134.304 5.041 . . . . 0.0 118.749 147.365 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 m -64.1 -22.61 67.0 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 119.58 3.178 . . . . 0.0 119.58 159.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.847 ' HA ' HG22 ' A' ' 13' ' ' THR 0.253 0.6 OUTLIER -76.87 -44.95 30.09 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 112.075 -3.821 . . . . 0.0 114.14 154.794 . . . . . . . . 4 4 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.416 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . . . -64.65 -8.77 15.69 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 121.037 3.717 . . . . 0.0 121.037 -178.254 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.477 ' O ' HD13 ' A' ' 16' ' ' ILE 0.508 0.8 OUTLIER -92.8 -57.09 4.58 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 1 CA-C-O 110.208 -4.711 . . . . 0.0 113.332 156.969 . . . . . . . . 5 4 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.847 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.555 0.3 OUTLIER -47.45 -59.5 3.18 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 130.866 3.666 . . . . 0.0 119.987 179.531 . . . . . . . . 4 4 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.417 0.0 OUTLIER -53.72 -31.32 47.75 Favored 'General case' 0 N--CA 1.471 0.607 2 C-N-CA 141.376 7.87 . . . . 0.0 122.918 157.621 . . . . . . . . 4 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -101.2 -22.66 10.38 Favored Glycine 0 CA--C 1.522 0.502 0 CA-C-O 113.789 -3.784 . . . . 0.0 118.376 -164.294 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.477 HD13 ' O ' ' A' ' 12' ' ' ILE 0.538 0.1 OUTLIER -63.77 -31.93 55.02 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.828 0 CA-C-O 114.717 -2.563 . . . . 0.0 117.588 144.028 . . . . . . . . 4 4 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.28 0.0 OUTLIER -74.79 -35.7 37.5 Favored 'Isoleucine or valine' 0 C--N 1.359 0.996 0 C-N-CA 131.432 3.893 . . . . 0.0 114.481 166.47 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.436 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -70.31 -36.76 74.5 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 112.156 -3.783 . . . . 0.0 116.8 164.553 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 13.4 mtp -62.16 -27.42 68.94 Favored 'General case' 0 C--N 1.347 0.462 0 CA-C-O 113.282 -3.246 . . . . 0.0 118.278 166.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.455 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 2.2 p -83.88 -31.36 25.76 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 114.309 -2.758 . . . . 0.0 117.48 169.635 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.39 5.4 mt -72.82 -36.14 67.46 Favored 'General case' 0 N--CA 1.476 0.868 1 CA-C-O 110.553 -4.546 . . . . 0.0 116.432 162.554 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.436 HG22 ' O ' ' A' ' 18' ' ' MET 0.569 1.7 tp -64.73 -44.11 96.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 131.26 3.824 . . . . 0.0 118.649 173.094 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.264 90.7 t -78.13 -20.11 13.56 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 1 C-N-CA 133.812 4.845 . . . . 0.0 110.107 175.596 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.558 ' O ' HG13 ' A' ' 28' ' ' VAL 0.714 1.2 mp -84.89 -40.58 15.16 Favored 'Isoleucine or valine' 0 C--N 1.351 0.64 0 N-CA-C 119.838 3.273 . . . . 0.0 119.838 166.912 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.504 2.3 m-85 -56.66 -34.86 67.75 Favored 'General case' 0 N--CA 1.472 0.661 2 C-N-CA 134.016 4.926 . . . . 0.0 116.938 160.271 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -71.27 -10.49 59.85 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 121.128 3.751 . . . . 0.0 121.128 160.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -101.82 -21.03 14.68 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 114.797 -2.525 . . . . 0.0 117.045 166.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 24' ' ' ILE 0.49 0.9 OUTLIER -95.97 -55.78 5.79 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 129.323 3.049 . . . . 0.0 116.34 178.626 . . . . . . . . 4 4 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.06 -28.24 62.4 Favored 'General case' 0 CA--C 1.548 0.868 1 C-N-CA 134.961 5.304 . . . . 0.0 118.284 171.449 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.21 172.96 2.17 Favored 'General case' 0 N--CA 1.476 0.871 1 C-N-CA 135.337 5.455 . . . . 0.0 121.279 156.428 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.348 90.1 m -74.97 82.99 2.22 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 131.244 3.818 . . . . 0.0 112.198 -179.398 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.29 179.37 5.82 Favored 'General case' 0 N--CA 1.477 0.918 1 C-N-CA 135.662 5.585 . . . . 0.0 112.977 170.072 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.3 m -53.35 119.05 16.02 Favored Pre-proline 0 N--CA 1.481 1.089 0 C-N-CA 131.271 3.828 . . . . 0.0 120.673 154.316 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . 0.302 5.2 Cg_exo -76.08 129.98 11.83 Favored 'Trans proline' 0 C--N 1.368 1.573 2 N-CA-C 124.432 4.743 . . . . 0.0 124.432 167.954 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . 0.418 0.8 OUTLIER -111.68 -40.33 4.35 Favored 'General case' 0 N--CA 1.475 0.81 1 C-N-CA 133.964 4.906 . . . . 0.0 116.379 -173.829 . . . . . . . . 4 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . 0.335 1.5 t-20 . . . . . 0 C--O 1.255 1.373 0 C-N-CA 129.065 2.946 . . . . 0.0 105.251 -169.007 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 0.364 27.2 mtm . . . . . 0 N--CA 1.492 1.626 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.354 0.3 OUTLIER -110.44 132.23 59.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 131.41 3.884 . . . . 0.0 114.307 167.829 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.2 m -95.07 96.68 9.41 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 130.325 3.45 . . . . 0.0 113.995 169.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -130.71 145.65 51.99 Favored 'General case' 0 CA--C 1.548 0.871 1 C-N-CA 131.765 4.026 . . . . 0.0 113.294 176.747 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -93.2 155.92 17.15 Favored 'General case' 0 N--CA 1.484 1.243 1 C-N-CA 134.739 5.216 . . . . 0.0 116.653 168.455 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.51 0.0 OUTLIER 79.62 14.91 0.94 Allowed 'General case' 0 N--CA 1.494 1.732 1 C-N-CA 136.241 5.816 . . . . 0.0 119.483 -166.423 . . . . . . . . 4 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.294 1.8 mm? -64.06 -2.08 1.83 Allowed 'General case' 0 N--CA 1.477 0.884 1 C-N-CA 132.185 4.194 . . . . 0.0 120.081 176.167 . . . . . . . . 3 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -50.7 -10.18 0.06 Allowed 'General case' 0 N--CA 1.479 0.992 1 C-N-CA 133.144 4.578 . . . . 0.0 119.239 147.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.49 -9.9 58.93 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 129.687 3.195 . . . . 0.0 117.925 157.102 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.726 ' HA ' HG22 ' A' ' 13' ' ' THR 0.371 0.4 OUTLIER -70.15 -48.15 58.61 Favored 'General case' 0 C--N 1.348 0.525 0 C-N-CA 130.777 3.631 . . . . 0.0 116.08 149.595 . . . . . . . . 4 4 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.25 -6.5 9.8 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 120.628 3.566 . . . . 0.0 120.628 179.398 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.522 ' O ' HD13 ' A' ' 16' ' ' ILE 0.444 0.7 OUTLIER -92.97 -59.7 2.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 1 CA-C-O 110.45 -4.595 . . . . 0.0 113.237 155.446 . . . . . . . . 5 4 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.726 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.548 0.3 OUTLIER -49.17 -61.85 1.85 Allowed 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 130.567 3.547 . . . . 0.0 119.917 -179.282 . . . . . . . . 4 4 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.38 0.0 OUTLIER -49.57 -28.01 5.14 Favored 'General case' 0 N--CA 1.473 0.682 2 C-N-CA 139.957 7.303 . . . . 0.0 122.176 154.189 . . . . . . . . 4 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -97.78 -32.62 6.15 Favored Glycine 0 C--N 1.334 0.452 1 CA-C-O 111.052 -5.304 . . . . 0.0 117.025 -164.656 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.522 HD13 ' O ' ' A' ' 12' ' ' ILE 0.535 0.1 OUTLIER -58.82 -31.28 44.51 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 CA-C-O 114.732 -2.556 . . . . 0.0 117.506 147.199 . . . . . . . . 4 4 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.337 0.0 OUTLIER -76.26 -35.68 28.31 Favored 'Isoleucine or valine' 0 C--N 1.357 0.926 0 C-N-CA 131.143 3.777 . . . . 0.0 115.344 167.318 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.424 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.5 OUTLIER -71.0 -37.05 72.67 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 113.221 -3.276 . . . . 0.0 115.65 164.882 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.5 mtp -68.75 -22.81 64.28 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 129.847 3.259 . . . . 0.0 117.216 175.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.514 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 2.0 p -80.51 -35.77 34.17 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 113.457 -3.163 . . . . 0.0 117.779 162.595 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.7 mp -79.31 -26.56 42.22 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 131.076 3.751 . . . . 0.0 115.952 173.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.424 HG22 ' O ' ' A' ' 18' ' ' MET 0.476 1.9 tp -68.1 -49.32 68.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 1 C-N-CA 133.031 4.533 . . . . 0.0 118.102 166.019 . . . . . . . . 4 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.256 91.5 t -72.46 -18.19 18.87 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 1 C-N-CA 133.79 4.836 . . . . 0.0 110.689 173.172 . . . . . . . . 3 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.514 ' HB ' ' O ' ' A' ' 20' ' ' THR 0.711 1.1 mp -86.49 -37.54 11.59 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 N-CA-C 120.007 3.336 . . . . 0.0 120.007 165.139 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.514 3.2 m-85 -59.23 -30.65 68.4 Favored 'General case' 0 N--CA 1.476 0.847 1 C-N-CA 133.916 4.886 . . . . 0.0 116.379 161.668 . . . . . . . . 3 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -77.07 -12.37 59.93 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 120.114 3.376 . . . . 0.0 120.114 164.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.09 -16.95 18.46 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 128.01 2.524 . . . . 0.0 116.984 167.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 24' ' ' ILE 0.474 0.8 OUTLIER -99.1 -60.83 2.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 C-N-CA 130.508 3.523 . . . . 0.0 114.764 177.307 . . . . . . . . 4 4 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.61 -52.15 8.87 Favored 'General case' 0 CA--C 1.543 0.684 1 C-N-CA 133.973 4.909 . . . . 0.0 114.891 -176.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.31 161.24 19.6 Favored 'General case' 0 N--CA 1.475 0.81 1 C-N-CA 133.438 4.695 . . . . 0.0 118.446 161.195 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.274 68.0 m -90.63 97.17 11.02 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 131.627 3.971 . . . . 0.0 112.688 -177.584 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.42 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -123.41 138.97 54.48 Favored 'General case' 0 N--CA 1.471 0.615 1 C-N-CA 133.147 4.579 . . . . 0.0 113.58 164.282 . . . . . . . . 4 4 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.9 m -105.73 105.2 52.12 Favored Pre-proline 0 CA--C 1.544 0.735 0 C-N-CA 126.994 2.118 . . . . 0.0 115.035 142.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.42 ' HD3' ' HB3' ' A' ' 32' ' ' MET 0.304 19.7 Cg_endo -76.18 33.59 0.41 Allowed 'Trans proline' 0 C--N 1.364 1.393 2 C-N-CA 126.497 4.798 . . . . 0.0 122.64 168.946 . . . . . . . . 4 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . 0.448 0.0 OUTLIER -137.21 -42.67 0.56 Allowed 'General case' 0 N--CA 1.472 0.637 1 C-N-CA 132.697 4.399 . . . . 0.0 113.3 -162.063 . . . . . . . . 4 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.7 t30 . . . . . 0 C--O 1.254 1.34 0 C-N-CA 129.168 2.987 . . . . 0.0 112.498 -153.244 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 0.388 3.1 ptm . . . . . 0 N--CA 1.489 1.477 0 CA-C-O 117.782 -1.104 . . . . 0.0 112.97 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.457 5.5 tt -142.85 103.27 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 130.762 3.625 . . . . 0.0 109.518 -159.164 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.261 32.7 t -110.11 -73.24 0.69 Allowed 'General case' 0 N--CA 1.474 0.735 1 C-N-CA 132.156 4.182 . . . . 0.0 111.695 169.895 . . . . . . . . 3 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.31 147.91 34.09 Favored 'General case' 0 N--CA 1.477 0.897 1 C-N-CA 131.891 4.076 . . . . 0.0 114.525 177.103 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.368 0.2 OUTLIER -45.6 90.18 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.614 1 C-N-CA 132.853 4.461 . . . . 0.0 119.426 164.838 . . . . . . . . 4 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.259 0.0 OUTLIER -108.53 15.06 24.15 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 131.33 3.852 . . . . 0.0 118.585 177.932 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -67.6 7.8 0.44 Allowed 'General case' 0 CA--C 1.553 1.088 1 C-N-CA 133.043 4.537 . . . . 0.0 116.487 161.019 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -65.83 -32.39 73.88 Favored 'General case' 0 N--CA 1.479 1.019 1 C-N-CA 133.784 4.834 . . . . 0.0 117.182 152.528 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.38 -15.64 58.48 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 129.346 3.058 . . . . 0.0 115.729 167.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.851 ' HA ' HG22 ' A' ' 13' ' ' THR 0.25 0.7 OUTLIER -75.58 -45.36 38.09 Favored 'General case' 0 C--N 1.346 0.436 0 C-N-CA 130.977 3.711 . . . . 0.0 115.458 149.67 . . . . . . . . 4 4 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.44 -8.56 19.63 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 120.646 3.573 . . . . 0.0 120.646 -177.128 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.518 ' O ' HD13 ' A' ' 16' ' ' ILE 0.46 0.7 OUTLIER -91.63 -58.08 3.84 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 2 CA-C-O 110.645 -4.502 . . . . 0.0 113.473 156.739 . . . . . . . . 5 4 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.851 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.553 0.3 OUTLIER -48.42 -59.91 3.1 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 130.671 3.588 . . . . 0.0 120.422 179.893 . . . . . . . . 4 4 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.39 0.0 OUTLIER -53.29 -26.77 19.68 Favored 'General case' 0 N--CA 1.472 0.669 1 C-N-CA 141.246 7.819 . . . . 0.0 121.659 155.492 . . . . . . . . 4 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -100.21 -31.96 5.71 Favored Glycine 0 C--N 1.333 0.383 1 CA-C-O 111.685 -4.953 . . . . 0.0 115.894 -160.543 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.518 HD13 ' O ' ' A' ' 12' ' ' ILE 0.56 0.1 OUTLIER -59.11 -31.63 46.27 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 CA-C-O 114.07 -2.871 . . . . 0.0 117.869 147.18 . . . . . . . . 4 4 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -77.91 -38.77 25.08 Favored 'Isoleucine or valine' 0 C--N 1.357 0.898 0 C-N-CA 131.026 3.73 . . . . 0.0 114.873 170.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.434 ' O ' HG22 ' A' ' 22' ' ' ILE . 1.6 mtp -66.05 -36.64 83.78 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-O 113.763 -3.018 . . . . 0.0 117.393 161.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 34.5 mtt -67.55 -23.5 65.43 Favored 'General case' 0 C--N 1.346 0.442 0 CA-C-O 113.735 -3.031 . . . . 0.0 116.964 171.228 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.498 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 1.3 p -82.86 -32.84 27.24 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 113.215 -3.279 . . . . 0.0 118.102 164.162 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.337 5.5 mt -74.68 -28.74 60.95 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 112.03 -3.843 . . . . 0.0 117.033 165.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.434 HG22 ' O ' ' A' ' 18' ' ' MET 0.507 2.0 tp -68.19 -48.96 71.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 131.332 3.853 . . . . 0.0 118.052 170.478 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.253 67.5 t -72.91 -17.22 18.09 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 1 C-N-CA 133.968 4.907 . . . . 0.0 110.895 171.875 . . . . . . . . 3 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.533 ' O ' HG13 ' A' ' 28' ' ' VAL 0.721 1.2 mp -86.92 -35.97 9.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 N-CA-C 120.411 3.486 . . . . 0.0 120.411 164.105 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.496 2.5 m-85 -64.42 -31.73 73.06 Favored 'General case' 0 N--CA 1.476 0.851 1 C-N-CA 134.113 4.965 . . . . 0.0 115.553 164.767 . . . . . . . . 3 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -74.43 -10.09 59.23 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 120.154 3.39 . . . . 0.0 120.154 161.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . 0.28 . . -94.98 -28.9 14.91 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 111.787 -3.959 . . . . 0.0 115.976 164.028 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.533 HG13 ' O ' ' A' ' 24' ' ' ILE 0.485 0.7 OUTLIER -96.15 -57.36 4.48 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 C-N-CA 130.056 3.342 . . . . 0.0 116.845 -176.562 . . . . . . . . 4 4 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -69.71 -48.46 59.48 Favored 'General case' 0 N--CA 1.475 0.823 1 C-N-CA 134.501 5.12 . . . . 0.0 115.268 -176.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . 0.257 13.9 t -63.13 172.39 1.86 Allowed 'General case' 0 N--CA 1.474 0.773 1 C-N-CA 134.536 5.134 . . . . 0.0 119.294 151.262 . . . . . . . . 3 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.255 41.6 p -62.53 94.84 0.06 Allowed 'General case' 0 N--CA 1.474 0.764 1 C-N-CA 132.812 4.445 . . . . 0.0 115.761 -169.937 . . . . . . . . 3 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.71 133.62 40.73 Favored 'General case' 0 N--CA 1.475 0.802 1 C-N-CA 133.727 4.811 . . . . 0.0 117.026 179.025 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . 0.378 0.5 OUTLIER -66.34 101.28 0.27 Allowed Pre-proline 0 CA--C 1.545 0.782 1 C-N-CA 132.002 4.121 . . . . 0.0 117.305 -179.576 . . . . . . . . 4 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . 0.364 11.9 Cg_endo -71.13 -14.72 31.93 Favored 'Trans proline' 0 C--N 1.369 1.613 0 N-CA-C 122.057 3.83 . . . . 0.0 122.057 -174.44 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . 0.301 0.0 OUTLIER -52.71 120.0 5.2 Favored 'General case' 0 N--CA 1.473 0.705 1 C-N-CA 135.388 5.475 . . . . 0.0 119.847 159.998 . . . . . . . . 4 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.062 0 C-N-CA 127.431 2.292 . . . . 0.0 112.919 157.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.744 ' HA ' HG22 ' A' ' 13' ' ' THR 0.346 0.7 OUTLIER . . . . . 0 N--CA 1.47 0.532 0 CA-C-O 113.469 -3.158 . . . . 0.0 115.799 . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.48 -4.16 25.09 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 119.456 3.132 . . . . 0.0 119.456 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.47 ' O ' HD13 ' A' ' 16' ' ' ILE 0.539 0.3 OUTLIER -93.15 -57.12 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 1 CA-C-O 109.184 -5.198 . . . . 0.0 114.773 149.751 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.744 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.589 0.4 OUTLIER -50.18 -60.66 2.75 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 130.136 3.374 . . . . 0.0 119.714 -176.058 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.418 0.0 OUTLIER -49.79 -28.12 5.88 Favored 'General case' 0 N--CA 1.475 0.803 2 C-N-CA 139.608 7.163 . . . . 0.0 122.79 155.317 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -103.56 -32.08 4.65 Favored Glycine 0 CA--C 1.523 0.537 1 CA-C-O 112.925 -4.264 . . . . 0.0 116.695 -159.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.47 HD13 ' O ' ' A' ' 12' ' ' ILE 0.554 0.1 OUTLIER -59.71 -27.79 38.78 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 CA-C-O 114.18 -2.819 . . . . 0.0 117.758 144.76 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.323 0.0 OUTLIER -79.95 -36.05 16.63 Favored 'Isoleucine or valine' 0 C--N 1.359 1.013 0 C-N-CA 131.122 3.769 . . . . 0.0 114.851 169.135 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.455 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -68.97 -36.19 77.6 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-O 112.527 -3.606 . . . . 0.0 115.098 163.352 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 10.0 mtt -68.89 -26.11 64.95 Favored 'General case' 0 C--N 1.346 0.418 0 CA-C-O 113.749 -3.024 . . . . 0.0 117.828 171.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.529 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 3.3 p -79.92 -32.66 40.16 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 113.435 -3.174 . . . . 0.0 117.616 165.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.338 5.4 mt -76.43 -29.45 57.0 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 111.724 -3.989 . . . . 0.0 116.769 167.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.455 HG22 ' O ' ' A' ' 18' ' ' MET 0.512 1.8 tp -70.33 -44.79 77.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 130.987 3.715 . . . . 0.0 118.679 171.024 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.263 87.5 t -75.53 -18.25 15.78 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 1 C-N-CA 134.011 4.925 . . . . 0.0 110.613 172.513 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.529 ' HB ' ' O ' ' A' ' 20' ' ' THR 0.716 1.1 mp -87.56 -39.75 13.21 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 N-CA-C 119.638 3.199 . . . . 0.0 119.638 167.02 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.46 3.2 m-30 -59.52 -25.4 64.45 Favored 'General case' 0 N--CA 1.476 0.847 1 C-N-CA 134.499 5.119 . . . . 0.0 117.446 161.802 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -78.73 -18.07 54.85 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 129.439 3.096 . . . . 0.0 118.89 164.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.88 -16.47 22.86 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.876 2.47 . . . . 0.0 117.08 170.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.477 HG13 ' O ' ' A' ' 24' ' ' ILE 0.418 1.0 OUTLIER . . . . . 0 CA--C 1.542 0.636 0 C-N-CA 130.893 3.677 . . . . 0.0 116.363 178.605 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.748 ' HA ' HG22 ' A' ' 13' ' ' THR 0.322 0.6 OUTLIER . . . . . 0 CA--C 1.537 0.481 0 CA-C-O 113.119 -3.324 . . . . 0.0 115.571 . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.47 -0.12 0.83 Allowed 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 121.367 3.84 . . . . 0.0 121.367 -177.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.363 1.5 mp -112.72 -46.45 5.42 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.801 1 C-N-CA 133.094 4.558 . . . . 0.0 109.507 172.276 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.748 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.527 0.3 OUTLIER -61.12 -62.69 1.66 Allowed 'General case' 0 N--CA 1.477 0.879 1 C-N-CA 132.567 4.347 . . . . 0.0 117.345 178.411 . . . . . . . . 5 4 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.403 0.0 OUTLIER -47.35 -31.31 3.85 Favored 'General case' 0 N--CA 1.47 0.56 1 C-N-CA 139.042 6.937 . . . . 0.0 121.195 151.111 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -91.89 -30.67 10.06 Favored Glycine 0 CA--C 1.522 0.498 0 CA-C-O 114.272 -3.516 . . . . 0.0 118.769 -168.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . 0.606 1.0 OUTLIER -61.24 -31.54 50.5 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 CA-C-O 113.223 -3.275 . . . . 0.0 117.929 150.925 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.283 0.0 OUTLIER -81.35 -35.86 14.36 Favored 'Isoleucine or valine' 0 C--N 1.357 0.909 1 C-N-CA 132.313 4.245 . . . . 0.0 114.585 173.035 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.455 ' O ' HG22 ' A' ' 22' ' ' ILE . 4.3 mtp -71.82 -30.01 65.04 Favored 'General case' 0 C--N 1.356 0.879 0 CA-C-O 112.393 -3.67 . . . . 0.0 118.061 159.036 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 11.9 tpt -71.19 -30.41 66.38 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-O 112.973 -3.394 . . . . 0.0 114.592 170.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.586 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 10.1 p -81.64 -29.99 32.96 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 113.528 -3.13 . . . . 0.0 116.196 176.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.321 10.2 mt -74.5 -30.45 61.82 Favored 'General case' 0 N--CA 1.473 0.707 1 CA-C-O 111.162 -4.256 . . . . 0.0 117.715 159.35 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.455 HG22 ' O ' ' A' ' 18' ' ' MET 0.517 2.4 tp -72.93 -44.54 57.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 129.869 3.268 . . . . 0.0 118.225 173.034 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.4 t -76.0 -19.7 15.43 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.688 1 C-N-CA 134.655 5.182 . . . . 0.0 110.075 172.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.586 ' HB ' ' O ' ' A' ' 20' ' ' THR 0.726 1.1 mp -84.5 -36.91 12.2 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 N-CA-C 120.812 3.634 . . . . 0.0 120.812 162.702 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.548 2.8 m-85 -59.58 -31.73 69.71 Favored 'General case' 0 N--CA 1.476 0.858 1 C-N-CA 133.201 4.6 . . . . 0.0 116.452 163.722 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . 0.255 71.3 t60 -70.95 -15.9 62.62 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 121.006 3.706 . . . . 0.0 121.006 160.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.78 -17.14 17.83 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 128.18 2.592 . . . . 0.0 116.107 171.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.532 HG13 ' O ' ' A' ' 24' ' ' ILE 0.482 0.7 OUTLIER . . . . . 0 CA--C 1.542 0.649 0 C-N-CA 130.945 3.698 . . . . 0.0 115.357 176.026 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.786 ' HA ' HG22 ' A' ' 13' ' ' THR 0.316 0.6 OUTLIER . . . . . 0 N--CA 1.467 0.387 0 CA-C-O 113.781 -3.009 . . . . 0.0 115.562 . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.53 -6.01 33.13 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 120.299 3.444 . . . . 0.0 120.299 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.429 ' O ' HD13 ' A' ' 16' ' ' ILE 0.504 0.1 OUTLIER -87.17 -62.01 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.815 1 CA-C-O 109.34 -5.124 . . . . 0.0 115.751 146.656 . . . . . . . . 5 4 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.786 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.549 0.4 OUTLIER -44.91 -60.4 2.08 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 124.617 3.371 . . . . 0.0 120.007 -176.188 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.407 0.0 OUTLIER -52.77 -28.02 20.53 Favored 'General case' 0 N--CA 1.471 0.604 2 C-N-CA 140.994 7.718 . . . . 0.0 122.93 157.696 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -103.3 -24.55 7.86 Favored Glycine 0 CA--C 1.525 0.679 0 C-N-CA 129.801 3.572 . . . . 0.0 119.007 -166.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.429 HD13 ' O ' ' A' ' 12' ' ' ILE 0.533 0.1 OUTLIER -62.2 -32.51 54.94 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 N-CA-C 117.304 2.335 . . . . 0.0 117.304 144.142 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.339 0.1 OUTLIER -74.05 -33.74 36.71 Favored 'Isoleucine or valine' 0 C--N 1.356 0.868 0 C-N-CA 130.78 3.632 . . . . 0.0 115.496 163.05 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.489 ' O ' HG22 ' A' ' 22' ' ' ILE . 1.8 ttt -71.76 -36.09 70.28 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-O 111.917 -3.896 . . . . 0.0 115.297 165.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -65.95 -25.88 67.32 Favored 'General case' 0 C--N 1.344 0.365 0 CA-C-O 111.828 -3.939 . . . . 0.0 115.752 172.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.567 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 1.9 p -83.95 -33.86 24.56 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 113.669 -3.062 . . . . 0.0 116.476 173.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.0 mp -79.19 -27.14 42.58 Favored 'General case' 0 CA--C 1.55 0.974 1 C-N-CA 132.0 4.12 . . . . 0.0 115.762 169.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.489 HG22 ' O ' ' A' ' 18' ' ' MET 0.551 1.9 tp -70.25 -49.08 57.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 1 C-N-CA 132.075 4.15 . . . . 0.0 118.031 167.797 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.26 99.9 t -73.56 -17.51 17.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.596 1 C-N-CA 134.352 5.061 . . . . 0.0 110.496 174.094 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.567 ' HB ' ' O ' ' A' ' 20' ' ' THR 0.724 1.1 mp -87.53 -36.3 9.48 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 N-CA-C 119.911 3.301 . . . . 0.0 119.911 164.904 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.533 3.1 m-85 -59.08 -36.77 75.67 Favored 'General case' 0 N--CA 1.478 0.974 1 C-N-CA 134.026 4.93 . . . . 0.0 116.024 161.96 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -68.93 -9.33 51.34 Favored 'General case' 0 N--CA 1.469 0.513 1 N-CA-C 121.93 4.048 . . . . 0.0 121.93 161.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -105.36 -21.28 13.26 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 128.491 2.716 . . . . 0.0 116.619 168.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.538 HG13 ' O ' ' A' ' 24' ' ' ILE 0.488 0.8 OUTLIER . . . . . 0 CA--C 1.541 0.623 0 C-N-CA 130.35 3.46 . . . . 0.0 115.718 178.882 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.773 ' HA ' HG22 ' A' ' 13' ' ' THR 0.338 0.7 OUTLIER . . . . . 0 CA--C 1.534 0.345 0 CA-C-O 112.631 -3.557 . . . . 0.0 115.444 . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.25 -5.76 3.73 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 121.532 3.901 . . . . 0.0 121.532 -177.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.481 ' O ' HD13 ' A' ' 16' ' ' ILE 0.424 1.2 mp -98.55 -60.49 2.71 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.751 2 CA-C-O 110.357 -4.639 . . . . 0.0 109.987 161.6 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.773 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.549 0.4 OUTLIER -46.4 -59.66 2.82 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 131.232 3.813 . . . . 0.0 119.475 179.779 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.464 0.0 OUTLIER -52.43 -31.5 34.74 Favored 'General case' 0 N--CA 1.474 0.745 2 C-N-CA 140.491 7.516 . . . . 0.0 122.762 158.134 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -102.83 -24.7 7.97 Favored Glycine 0 CA--C 1.524 0.641 0 CA-C-O 113.476 -3.958 . . . . 0.0 118.332 -164.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.481 HD13 ' O ' ' A' ' 12' ' ' ILE 0.557 0.1 OUTLIER -63.14 -29.45 47.25 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.882 0 CA-C-O 114.647 -2.597 . . . . 0.0 117.885 143.001 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.315 0.0 OUTLIER -76.46 -36.25 28.21 Favored 'Isoleucine or valine' 0 C--N 1.357 0.922 0 C-N-CA 130.932 3.693 . . . . 0.0 114.804 166.374 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.466 ' O ' HG22 ' A' ' 22' ' ' ILE . 1.8 mtt -69.36 -36.59 77.01 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 112.873 -3.441 . . . . 0.0 117.99 164.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.7 mtt -64.53 -23.61 67.33 Favored 'General case' 0 C--N 1.346 0.419 0 CA-C-O 113.066 -3.35 . . . . 0.0 118.344 165.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.481 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 2.1 p -85.13 -29.19 25.01 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 113.794 -3.003 . . . . 0.0 117.578 167.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.327 5.0 mt -76.45 -30.23 57.26 Favored 'General case' 0 N--CA 1.478 0.929 1 CA-C-O 111.574 -4.06 . . . . 0.0 117.277 163.74 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.466 HG22 ' O ' ' A' ' 18' ' ' MET 0.507 1.8 tp -70.41 -45.58 74.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 131.363 3.865 . . . . 0.0 118.174 172.639 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.261 63.4 t -75.48 -18.67 15.84 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 1 C-N-CA 133.912 4.885 . . . . 0.0 110.15 172.451 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.544 ' O ' HG13 ' A' ' 28' ' ' VAL 0.728 1.1 mp -84.82 -41.35 15.81 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 N-CA-C 120.699 3.592 . . . . 0.0 120.699 165.087 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.539 2.8 m-30 -55.07 -34.92 64.01 Favored 'General case' 0 N--CA 1.475 0.798 2 C-N-CA 134.377 5.071 . . . . 0.0 115.71 160.546 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -69.57 -18.31 63.63 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 120.716 3.599 . . . . 0.0 120.716 165.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -101.63 -14.64 17.33 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 129.148 2.979 . . . . 0.0 116.511 172.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.544 HG13 ' O ' ' A' ' 24' ' ' ILE 0.468 0.7 OUTLIER . . . . . 0 CA--C 1.541 0.598 0 C-N-CA 130.075 3.35 . . . . 0.0 113.582 173.388 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.729 ' HA ' HG22 ' A' ' 13' ' ' THR 0.364 0.7 OUTLIER . . . . . 0 N--CA 1.468 0.444 0 CA-C-O 112.993 -3.384 . . . . 0.0 116.789 . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.44 -6.06 6.55 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 121.115 3.746 . . . . 0.0 121.115 -177.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.546 ' O ' HD13 ' A' ' 16' ' ' ILE 0.435 1.3 mp -99.62 -58.67 3.72 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.775 2 CA-C-O 110.111 -4.757 . . . . 0.0 110.073 162.001 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.729 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.555 0.3 OUTLIER -47.98 -60.24 2.75 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 130.762 3.625 . . . . 0.0 119.272 178.958 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.395 0.0 OUTLIER -53.54 -29.0 34.71 Favored 'General case' 0 N--CA 1.475 0.787 2 C-N-CA 140.353 7.461 . . . . 0.0 122.081 157.844 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -95.98 -34.54 5.9 Favored Glycine 0 CA--C 1.52 0.35 1 CA-C-O 109.942 -5.921 . . . . 0.0 116.083 -164.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.546 HD13 ' O ' ' A' ' 12' ' ' ILE 0.549 0.1 OUTLIER -62.06 -26.15 39.3 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 CA-C-O 113.743 -3.027 . . . . 0.0 117.231 150.586 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.26 0.0 OUTLIER -80.16 -40.71 20.44 Favored 'Isoleucine or valine' 0 C--N 1.361 1.073 1 C-N-CA 132.041 4.136 . . . . 0.0 115.337 169.556 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.463 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -62.65 -36.28 82.33 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 129.842 3.257 . . . . 0.0 117.454 161.141 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 51.1 mtt -72.55 -23.07 60.93 Favored 'General case' 0 C--N 1.345 0.409 0 C-N-CA 130.292 3.437 . . . . 0.0 115.313 174.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.478 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 2.6 p -81.99 -32.85 30.44 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 113.135 -3.317 . . . . 0.0 117.951 162.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.268 3.6 mt -76.81 -26.62 54.6 Favored 'General case' 0 N--CA 1.479 0.989 1 C-N-CA 132.09 4.156 . . . . 0.0 116.728 168.519 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.463 HG22 ' O ' ' A' ' 18' ' ' MET 0.485 2.3 tp -71.2 -46.02 68.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 1 C-N-CA 131.902 4.081 . . . . 0.0 117.867 169.49 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.258 84.8 t -73.78 -19.49 17.73 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 1 C-N-CA 133.462 4.705 . . . . 0.0 110.889 171.361 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.515 ' O ' HG13 ' A' ' 28' ' ' VAL 0.747 1.1 mp -85.02 -36.94 11.84 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 N-CA-C 120.877 3.658 . . . . 0.0 120.877 164.907 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.512 2.7 m-85 -63.57 -29.2 70.49 Favored 'General case' 0 N--CA 1.474 0.749 1 C-N-CA 133.54 4.736 . . . . 0.0 117.113 163.756 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -72.96 -14.19 61.4 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 120.604 3.557 . . . . 0.0 120.604 160.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.75 -20.52 18.17 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 115.23 -2.319 . . . . 0.0 117.102 170.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.515 HG13 ' O ' ' A' ' 24' ' ' ILE 0.442 1.0 OUTLIER . . . . . 0 CA--C 1.54 0.576 0 C-N-CA 130.487 3.515 . . . . 0.0 115.795 178.738 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.749 ' HA ' HG22 ' A' ' 13' ' ' THR 0.365 0.4 OUTLIER . . . . . 0 N--CA 1.468 0.432 0 CA-C-O 113.306 -3.235 . . . . 0.0 115.786 . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.25 -5.29 6.68 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 120.549 3.537 . . . . 0.0 120.549 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.498 ' O ' HD13 ' A' ' 16' ' ' ILE 0.461 0.7 OUTLIER -95.54 -60.7 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 2 CA-C-O 110.143 -4.741 . . . . 0.0 113.4 157.522 . . . . . . . . 5 4 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.749 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.546 0.4 OUTLIER -46.99 -57.58 4.85 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 130.747 3.619 . . . . 0.0 120.691 178.972 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.431 0.0 OUTLIER -55.03 -28.73 54.42 Favored 'General case' 0 N--CA 1.474 0.752 2 C-N-CA 140.826 7.65 . . . . 0.0 122.095 157.413 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -103.43 -24.75 7.7 Favored Glycine 0 CA--C 1.524 0.596 0 CA-C-O 114.131 -3.594 . . . . 0.0 117.869 -162.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.498 HD13 ' O ' ' A' ' 12' ' ' ILE 0.528 0.1 OUTLIER -61.07 -30.02 46.88 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 N-CA-C 117.605 2.446 . . . . 0.0 117.605 143.616 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.298 0.0 OUTLIER -78.57 -34.77 18.14 Favored 'Isoleucine or valine' 0 C--N 1.357 0.895 0 C-N-CA 131.076 3.75 . . . . 0.0 115.114 167.666 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.433 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.5 OUTLIER -65.6 -37.58 87.03 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-O 112.183 -3.77 . . . . 0.0 116.174 161.65 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.0 ttp -69.81 -25.57 63.84 Favored 'General case' 0 C--N 1.347 0.47 0 CA-C-O 112.84 -3.457 . . . . 0.0 114.422 175.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.482 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 1.9 p -83.94 -31.62 25.51 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 113.619 -3.086 . . . . 0.0 116.707 170.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.377 5.6 mt -72.85 -34.15 66.59 Favored 'General case' 0 N--CA 1.478 0.958 1 CA-C-O 110.438 -4.601 . . . . 0.0 117.161 162.391 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.433 HG22 ' O ' ' A' ' 18' ' ' MET 0.564 2.0 tp -67.3 -45.96 84.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 131.45 3.9 . . . . 0.0 118.231 173.307 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.278 85.4 t -75.54 -20.63 15.96 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 1 C-N-CA 134.265 5.026 . . . . 0.0 110.479 174.628 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.555 ' O ' HG13 ' A' ' 28' ' ' VAL 0.726 1.2 mp -83.05 -41.15 16.91 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 N-CA-C 120.437 3.495 . . . . 0.0 120.437 165.148 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.487 2.4 m-85 -59.67 -30.42 68.75 Favored 'General case' 0 N--CA 1.474 0.76 1 C-N-CA 134.252 5.021 . . . . 0.0 116.965 160.769 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -76.89 -4.76 45.42 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 120.715 3.598 . . . . 0.0 120.715 159.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . 0.309 . . -97.65 -38.88 9.35 Favored 'General case' 0 CA--C 1.534 0.359 1 CA-C-O 109.542 -5.027 . . . . 0.0 115.046 162.634 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.555 HG13 ' O ' ' A' ' 24' ' ' ILE 0.482 0.8 OUTLIER . . . . . 0 CA--C 1.543 0.679 0 C-N-CA 129.671 3.188 . . . . 0.0 117.25 -176.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.736 ' HA ' HG22 ' A' ' 13' ' ' THR 0.349 0.9 OUTLIER . . . . . 0 CA--C 1.535 0.397 0 CA-C-O 112.106 -3.807 . . . . 0.0 116.303 . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.69 -3.75 3.55 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 121.677 3.954 . . . . 0.0 121.677 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.464 ' O ' HD13 ' A' ' 16' ' ' ILE 0.438 1.0 OUTLIER -99.63 -61.36 2.36 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 2 CA-C-O 110.172 -4.728 . . . . 0.0 109.603 160.698 . . . . . . . . 5 4 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.736 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.568 0.4 OUTLIER -45.47 -59.29 2.79 Favored 'General case' 0 N--CA 1.48 1.067 1 C-N-CA 131.919 4.088 . . . . 0.0 120.406 -179.875 . . . . . . . . 5 4 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.453 0.0 OUTLIER -53.63 -32.69 52.3 Favored 'General case' 0 N--CA 1.473 0.679 2 C-N-CA 140.687 7.595 . . . . 0.0 122.16 159.174 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -101.1 -23.2 9.91 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 130.438 3.875 . . . . 0.0 119.214 -166.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.464 HD13 ' O ' ' A' ' 12' ' ' ILE 0.558 0.1 OUTLIER -63.79 -28.75 45.61 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 CA-C-O 114.7 -2.571 . . . . 0.0 117.658 143.179 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.305 0.0 OUTLIER -78.85 -32.27 15.57 Favored 'Isoleucine or valine' 0 C--N 1.358 0.968 0 C-N-CA 131.666 3.986 . . . . 0.0 114.565 166.29 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.438 ' O ' HG22 ' A' ' 22' ' ' ILE . 2.1 ttt -70.73 -36.38 73.15 Favored 'General case' 0 C--N 1.357 0.917 0 CA-C-O 112.913 -3.422 . . . . 0.0 114.886 164.096 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . 0.343 4.5 mtt -73.52 -20.59 60.62 Favored 'General case' 0 C--N 1.344 0.364 0 CA-C-O 113.666 -3.064 . . . . 0.0 117.288 175.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.493 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 3.1 p -81.25 -31.53 33.73 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 113.928 -2.939 . . . . 0.0 118.911 162.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.304 5.3 mt -78.7 -30.25 45.95 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 131.436 3.894 . . . . 0.0 117.041 165.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.438 HG22 ' O ' ' A' ' 18' ' ' MET 0.518 2.2 tp -68.41 -43.42 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 1 C-N-CA 131.709 4.004 . . . . 0.0 118.225 169.738 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.274 87.9 t -79.55 -17.57 12.94 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.681 1 C-N-CA 134.084 4.954 . . . . 0.0 110.107 173.981 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.554 ' O ' HG13 ' A' ' 28' ' ' VAL 0.716 1.1 mp -87.5 -36.62 9.92 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 N-CA-C 120.206 3.41 . . . . 0.0 120.206 165.203 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.509 2.8 m-85 -59.43 -35.44 74.02 Favored 'General case' 0 N--CA 1.478 0.966 1 C-N-CA 134.426 5.09 . . . . 0.0 115.987 160.367 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -71.02 -7.1 44.0 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 120.911 3.671 . . . . 0.0 120.911 162.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -104.05 -25.29 13.04 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 114.362 -2.733 . . . . 0.0 116.622 166.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.554 HG13 ' O ' ' A' ' 24' ' ' ILE 0.504 0.7 OUTLIER . . . . . 0 CA--C 1.541 0.61 0 C-N-CA 129.938 3.295 . . . . 0.0 116.147 179.68 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.775 ' HA ' HG22 ' A' ' 13' ' ' THR 0.335 0.2 OUTLIER . . . . . 0 N--CA 1.47 0.545 0 CA-C-O 114.476 -2.678 . . . . 0.0 116.389 . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.65 -2.86 10.06 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 120.271 3.434 . . . . 0.0 120.271 -178.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.451 ' O ' HD13 ' A' ' 16' ' ' ILE 0.54 0.2 OUTLIER -88.64 -60.69 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 1 CA-C-O 109.483 -5.056 . . . . 0.0 115.971 146.568 . . . . . . . . 5 4 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.775 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.553 0.3 OUTLIER -45.33 -59.89 2.43 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 130.486 3.514 . . . . 0.0 120.425 -178.153 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.432 0.0 OUTLIER -53.51 -30.36 41.02 Favored 'General case' 0 N--CA 1.473 0.679 2 C-N-CA 140.565 7.546 . . . . 0.0 122.187 157.443 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -98.31 -27.36 8.73 Favored Glycine 0 CA--C 1.522 0.531 0 CA-C-O 113.503 -3.943 . . . . 0.0 118.003 -165.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.451 HD13 ' O ' ' A' ' 12' ' ' ILE 0.529 0.1 OUTLIER -63.1 -31.25 51.95 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.883 0 CA-C-O 115.048 -2.406 . . . . 0.0 117.019 147.954 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.294 0.0 OUTLIER -75.02 -33.73 30.13 Favored 'Isoleucine or valine' 0 C--N 1.359 0.988 0 C-N-CA 131.664 3.986 . . . . 0.0 114.958 166.126 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.458 ' O ' HG22 ' A' ' 22' ' ' ILE . 2.4 tmm? -75.4 -33.66 61.0 Favored 'General case' 0 C--N 1.354 0.771 1 CA-C-O 111.686 -4.007 . . . . 0.0 115.545 167.699 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 13.4 mmt -66.2 -27.2 67.81 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-O 113.718 -3.039 . . . . 0.0 116.829 166.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.506 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 3.0 p -81.53 -31.74 32.63 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 113.369 -3.205 . . . . 0.0 117.443 169.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.309 5.5 mt -75.76 -28.33 58.42 Favored 'General case' 0 N--CA 1.475 0.806 1 C-N-CA 131.894 4.077 . . . . 0.0 116.987 164.623 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.458 HG22 ' O ' ' A' ' 18' ' ' MET 0.512 2.0 tp -71.87 -45.6 64.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 130.329 3.452 . . . . 0.0 117.252 171.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.269 90.7 t -74.71 -19.09 16.62 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 1 C-N-CA 133.478 4.711 . . . . 0.0 110.144 173.751 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.538 ' O ' HG13 ' A' ' 28' ' ' VAL 0.735 1.1 mp -84.29 -39.76 14.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 N-CA-C 120.862 3.652 . . . . 0.0 120.862 165.756 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.478 2.7 m-85 -61.59 -27.5 68.68 Favored 'General case' 0 N--CA 1.476 0.867 1 C-N-CA 134.43 5.092 . . . . 0.0 117.197 161.864 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -74.93 -13.03 60.48 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 120.707 3.595 . . . . 0.0 120.707 159.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.21 -18.55 17.57 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 127.733 2.413 . . . . 0.0 117.07 168.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.538 HG13 ' O ' ' A' ' 24' ' ' ILE 0.461 0.9 OUTLIER . . . . . 0 CA--C 1.538 0.495 0 C-N-CA 130.269 3.427 . . . . 0.0 115.341 179.452 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.785 ' HA ' HG22 ' A' ' 13' ' ' THR 0.334 1.3 tt . . . . . 0 CA--C 1.535 0.37 0 CA-C-O 112.419 -3.657 . . . . 0.0 115.518 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.39 -8.35 5.9 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 121.224 3.786 . . . . 0.0 121.224 178.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.483 ' O ' HD13 ' A' ' 16' ' ' ILE 0.487 0.9 OUTLIER -94.38 -58.69 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 2 CA-C-O 110.18 -4.724 . . . . 0.0 112.943 158.868 . . . . . . . . 5 4 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.785 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.563 0.4 OUTLIER -46.43 -60.23 2.47 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 131.347 3.859 . . . . 0.0 119.766 178.126 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.434 0.0 OUTLIER -53.63 -30.23 41.85 Favored 'General case' 0 N--CA 1.472 0.658 2 C-N-CA 140.173 7.389 . . . . 0.0 122.781 157.471 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -102.38 -22.19 9.99 Favored Glycine 0 CA--C 1.525 0.685 0 CA-C-O 113.7 -3.834 . . . . 0.0 118.83 -165.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.483 HD13 ' O ' ' A' ' 12' ' ' ILE 0.549 0.1 OUTLIER -62.24 -31.73 52.49 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-O 114.749 -2.548 . . . . 0.0 117.848 142.822 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.291 0.0 OUTLIER -75.99 -33.45 25.05 Favored 'Isoleucine or valine' 0 C--N 1.357 0.932 0 C-N-CA 131.176 3.79 . . . . 0.0 115.686 167.243 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.483 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -75.46 -33.96 60.89 Favored 'General case' 0 C--N 1.355 0.817 1 CA-C-O 111.66 -4.019 . . . . 0.0 115.487 165.99 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 8.5 mmm -65.82 -24.78 66.98 Favored 'General case' 0 C--N 1.347 0.496 0 CA-C-O 113.285 -3.245 . . . . 0.0 117.341 167.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.524 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 4.3 p -83.25 -34.69 25.76 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 112.83 -3.462 . . . . 0.0 117.218 169.009 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.329 6.4 mt -73.27 -29.59 62.84 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 131.406 3.882 . . . . 0.0 117.239 164.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.483 HG22 ' O ' ' A' ' 18' ' ' MET 0.534 1.7 tp -68.52 -47.04 79.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 130.63 3.572 . . . . 0.0 117.695 170.721 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.262 87.6 t -76.09 -17.11 15.31 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 1 C-N-CA 134.164 4.985 . . . . 0.0 110.581 174.113 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.524 ' HB ' ' O ' ' A' ' 20' ' ' THR 0.723 1.1 mp -87.85 -36.94 10.12 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 N-CA-C 120.455 3.502 . . . . 0.0 120.455 165.135 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.504 2.5 m-85 -59.56 -31.56 69.55 Favored 'General case' 0 N--CA 1.477 0.902 1 C-N-CA 134.161 4.984 . . . . 0.0 115.592 161.433 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -74.07 -10.68 59.88 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 130.34 3.456 . . . . 0.0 120.24 163.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -101.24 -16.4 16.99 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 127.511 2.325 . . . . 0.0 116.504 167.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.505 HG13 ' O ' ' A' ' 24' ' ' ILE 0.51 0.6 OUTLIER . . . . . 0 CA--C 1.543 0.702 0 C-N-CA 130.545 3.538 . . . . 0.0 116.137 179.529 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.738 ' HA ' HG22 ' A' ' 13' ' ' THR 0.347 0.7 OUTLIER . . . . . 0 N--CA 1.469 0.496 0 CA-C-O 113.831 -2.985 . . . . 0.0 116.569 . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.74 -3.74 10.24 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 120.531 3.53 . . . . 0.0 120.531 178.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.49 ' O ' HD13 ' A' ' 16' ' ' ILE 0.514 0.2 OUTLIER -92.36 -56.81 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 1 CA-C-O 109.726 -4.94 . . . . 0.0 116.151 148.223 . . . . . . . . 5 4 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.738 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.561 0.4 OUTLIER -48.84 -59.71 3.35 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 120.372 3.471 . . . . 0.0 120.372 -177.728 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.422 0.0 OUTLIER -51.63 -29.0 16.01 Favored 'General case' 0 N--CA 1.472 0.666 2 C-N-CA 140.441 7.496 . . . . 0.0 122.408 155.138 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -101.83 -23.87 9.02 Favored Glycine 0 CA--C 1.522 0.518 1 CA-C-O 112.899 -4.278 . . . . 0.0 117.964 -163.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.49 HD13 ' O ' ' A' ' 12' ' ' ILE 0.547 0.1 OUTLIER -63.11 -30.85 50.69 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 N-CA-C 117.968 2.581 . . . . 0.0 117.968 144.923 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.276 0.0 OUTLIER -77.56 -37.25 24.35 Favored 'Isoleucine or valine' 0 C--N 1.358 0.971 0 C-N-CA 131.394 3.878 . . . . 0.0 115.271 169.328 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.458 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -68.53 -32.0 71.63 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-O 112.412 -3.661 . . . . 0.0 118.37 161.277 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 28.0 mtt -73.52 -22.03 60.22 Favored 'General case' 0 C--N 1.344 0.353 0 CA-C-O 114.086 -2.864 . . . . 0.0 117.253 170.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.462 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 4.7 p -82.98 -30.55 28.14 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 114.183 -2.818 . . . . 0.0 118.442 163.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.288 4.5 mt -78.19 -28.35 48.11 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 131.577 3.951 . . . . 0.0 116.744 166.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.458 HG22 ' O ' ' A' ' 18' ' ' MET 0.49 1.8 tp -70.05 -44.04 78.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 131.408 3.883 . . . . 0.0 117.806 170.096 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.268 98.7 t -77.52 -17.05 14.28 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 1 C-N-CA 133.62 4.768 . . . . 0.0 110.696 173.67 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.52 ' O ' HG13 ' A' ' 28' ' ' VAL 0.724 1.2 mp -87.88 -36.61 9.69 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 N-CA-C 120.173 3.397 . . . . 0.0 120.173 165.648 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.479 3.2 m-30 -63.57 -28.34 69.87 Favored 'General case' 0 N--CA 1.478 0.949 1 C-N-CA 134.211 5.005 . . . . 0.0 116.483 163.01 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -73.62 -13.07 60.94 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 120.621 3.563 . . . . 0.0 120.621 160.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.82 -17.3 17.73 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 128.198 2.599 . . . . 0.0 116.996 170.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.52 HG13 ' O ' ' A' ' 24' ' ' ILE 0.477 0.8 OUTLIER . . . . . 0 CA--C 1.54 0.576 0 C-N-CA 130.205 3.402 . . . . 0.0 115.525 178.453 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.794 ' HA ' HG22 ' A' ' 13' ' ' THR 0.29 0.6 OUTLIER . . . . . 0 CA--C 1.533 0.322 0 CA-C-O 113.467 -3.159 . . . . 0.0 115.872 . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.04 -4.25 27.66 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 119.716 3.228 . . . . 0.0 119.716 -178.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.518 ' O ' HD13 ' A' ' 16' ' ' ILE 0.512 0.2 OUTLIER -90.49 -56.27 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 1 CA-C-O 110.353 -4.641 . . . . 0.0 116.479 148.588 . . . . . . . . 5 4 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.794 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.537 0.4 OUTLIER -51.37 -58.54 5.96 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 129.872 3.269 . . . . 0.0 119.647 -176.187 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.446 0.0 OUTLIER -51.31 -31.8 22.9 Favored 'General case' 0 N--CA 1.473 0.718 2 C-N-CA 140.386 7.474 . . . . 0.0 122.496 154.077 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -95.61 -25.45 13.53 Favored Glycine 0 C--N 1.336 0.549 0 CA-C-O 113.66 -3.856 . . . . 0.0 119.21 -167.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.518 HD13 ' O ' ' A' ' 12' ' ' ILE 0.556 0.1 OUTLIER -62.3 -29.74 47.36 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.849 0 N-CA-C 118.062 2.615 . . . . 0.0 118.062 145.846 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.28 0.0 OUTLIER -78.2 -37.42 22.33 Favored 'Isoleucine or valine' 0 C--N 1.358 0.962 0 C-N-CA 131.577 3.951 . . . . 0.0 114.942 168.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.427 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -63.99 -37.6 88.0 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 112.858 -3.448 . . . . 0.0 117.12 160.26 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 5.8 mtp -69.76 -22.65 63.34 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-O 113.113 -3.327 . . . . 0.0 117.147 173.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.499 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 2.0 p -84.02 -31.38 25.47 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 113.774 -3.012 . . . . 0.0 118.129 164.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.293 4.6 mt -78.79 -24.55 44.54 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 131.431 3.893 . . . . 0.0 116.834 166.439 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.427 HG22 ' O ' ' A' ' 18' ' ' MET 0.484 2.6 tp -74.51 -44.62 47.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 131.012 3.725 . . . . 0.0 118.09 170.622 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.267 86.2 t -75.35 -16.74 15.85 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.716 1 C-N-CA 133.685 4.794 . . . . 0.0 110.672 170.788 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.503 ' O ' HG13 ' A' ' 28' ' ' VAL 0.724 1.2 mp -88.33 -34.66 7.26 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 N-CA-C 120.026 3.343 . . . . 0.0 120.026 164.544 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.538 3.0 m-30 -64.74 -30.67 71.68 Favored 'General case' 0 N--CA 1.474 0.734 1 C-N-CA 133.356 4.662 . . . . 0.0 116.847 164.669 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -72.2 -14.11 61.71 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 120.339 3.459 . . . . 0.0 120.339 161.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.51 -15.6 18.61 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 127.81 2.444 . . . . 0.0 116.549 171.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.503 HG13 ' O ' ' A' ' 24' ' ' ILE 0.449 1.0 OUTLIER . . . . . 0 CA--C 1.541 0.611 0 C-N-CA 131.16 3.784 . . . . 0.0 115.522 179.142 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.747 ' HA ' HG22 ' A' ' 13' ' ' THR 0.337 0.7 OUTLIER . . . . . 0 N--CA 1.466 0.361 0 CA-C-O 113.345 -3.217 . . . . 0.0 115.52 . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.87 -8.23 20.89 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 120.365 3.469 . . . . 0.0 120.365 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.467 ' O ' HD13 ' A' ' 16' ' ' ILE 0.459 0.9 OUTLIER -91.26 -60.68 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 2 CA-C-O 110.887 -4.387 . . . . 0.0 113.729 154.354 . . . . . . . . 5 4 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.747 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.553 0.3 OUTLIER -46.31 -59.96 2.61 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 130.74 3.616 . . . . 0.0 120.381 -178.604 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.411 0.0 OUTLIER -52.51 -32.74 41.79 Favored 'General case' 0 N--CA 1.471 0.61 2 C-N-CA 140.847 7.659 . . . . 0.0 122.03 156.614 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.521 ' HA2' ' HB3' ' A' ' 18' ' ' MET . . . -96.85 -23.29 15.73 Favored Glycine 0 CA--C 1.523 0.559 0 C-N-CA 130.649 3.976 . . . . 0.0 119.34 -167.26 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.467 HD13 ' O ' ' A' ' 12' ' ' ILE 0.523 0.1 OUTLIER -63.95 -32.58 57.73 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.87 0 CA-C-O 114.963 -2.446 . . . . 0.0 117.437 144.767 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.299 0.0 OUTLIER -72.89 -38.03 55.78 Favored 'Isoleucine or valine' 0 C--N 1.359 0.981 0 C-N-CA 131.408 3.883 . . . . 0.0 114.455 166.264 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.521 ' HB3' ' HA2' ' A' ' 15' ' ' GLY 0.254 0.8 OUTLIER -66.7 -38.57 87.0 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-O 112.006 -3.854 . . . . 0.0 116.248 164.155 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.34 -25.61 68.38 Favored 'General case' 0 C--N 1.343 0.325 0 CA-C-O 112.569 -3.586 . . . . 0.0 118.574 168.386 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.494 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 1.2 p -84.35 -33.41 23.86 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 114.058 -2.877 . . . . 0.0 116.546 169.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.257 10.5 mp -77.72 -30.95 51.96 Favored 'General case' 0 CA--C 1.546 0.813 1 CA-C-O 111.3 -4.19 . . . . 0.0 115.382 171.565 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.465 HG22 ' O ' ' A' ' 18' ' ' MET 0.536 2.5 tp -65.64 -50.02 74.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 1 C-N-CA 132.135 4.174 . . . . 0.0 118.765 168.254 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.254 84.8 t -72.78 -18.05 18.46 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 1 C-N-CA 133.789 4.836 . . . . 0.0 110.629 175.258 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.505 ' O ' HG13 ' A' ' 28' ' ' VAL 0.69 1.2 mp -86.29 -40.36 14.26 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 C-N-CA 129.765 3.226 . . . . 0.0 118.999 165.104 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.549 3.2 m-85 -55.91 -31.69 63.1 Favored 'General case' 0 N--CA 1.474 0.758 2 C-N-CA 133.763 4.825 . . . . 0.0 116.543 161.599 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -71.44 -19.18 62.27 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 120.828 3.64 . . . . 0.0 120.828 163.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -102.94 -14.05 16.67 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 129.695 3.198 . . . . 0.0 116.32 175.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.505 HG13 ' O ' ' A' ' 24' ' ' ILE 0.47 0.7 OUTLIER . . . . . 0 CA--C 1.54 0.579 0 C-N-CA 130.604 3.561 . . . . 0.0 113.82 172.368 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.715 ' HA ' HG22 ' A' ' 13' ' ' THR 0.353 0.5 OUTLIER . . . . . 0 CA--C 1.535 0.386 0 CA-C-O 113.791 -3.004 . . . . 0.0 116.663 . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.09 -3.38 3.61 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 120.006 3.336 . . . . 0.0 120.006 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.484 0.3 OUTLIER -100.31 -51.9 9.25 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 C-N-CA 129.93 3.292 . . . . 0.0 114.159 157.603 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.715 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.567 0.3 OUTLIER -52.58 -62.12 1.85 Allowed 'General case' 0 N--CA 1.481 1.117 1 C-N-CA 132.168 4.187 . . . . 0.0 119.196 178.811 . . . . . . . . 5 4 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.381 0.0 OUTLIER -49.54 -30.05 7.89 Favored 'General case' 0 N--CA 1.471 0.602 1 C-N-CA 139.454 7.101 . . . . 0.0 121.04 151.254 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -92.14 -33.99 7.41 Favored Glycine 0 C--N 1.334 0.429 0 C-N-CA 128.768 3.08 . . . . 0.0 117.459 -165.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . 0.602 1.0 OUTLIER -59.31 -33.01 49.7 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 CA-C-O 112.862 -3.447 . . . . 0.0 117.666 152.421 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -78.26 -38.78 23.77 Favored 'Isoleucine or valine' 0 C--N 1.358 0.96 1 C-N-CA 132.133 4.173 . . . . 0.0 114.448 171.168 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.475 ' O ' HG22 ' A' ' 22' ' ' ILE . 2.3 mtt -69.98 -27.33 64.63 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-O 112.43 -3.652 . . . . 0.0 118.831 160.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . 0.252 1.6 tpt -73.43 -32.0 64.14 Favored 'General case' 0 C--N 1.347 0.482 0 CA-C-O 113.214 -3.279 . . . . 0.0 115.735 167.236 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.582 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 14.7 p -81.49 -33.36 31.96 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 112.271 -3.728 . . . . 0.0 115.371 178.482 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.414 12.1 mt -65.3 -37.91 88.6 Favored 'General case' 0 N--CA 1.475 0.806 1 CA-C-O 109.52 -5.038 . . . . 0.0 118.393 153.933 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.475 HG22 ' O ' ' A' ' 18' ' ' MET 0.578 1.9 tp -67.79 -43.55 86.22 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 CA-C-N 125.282 3.674 . . . . 0.0 119.101 174.032 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 89.7 t -78.79 -19.73 13.06 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 1 C-N-CA 134.144 4.978 . . . . 0.0 109.639 175.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.582 ' HB ' ' O ' ' A' ' 20' ' ' THR 0.777 1.1 mp -83.87 -41.01 16.23 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 N-CA-C 120.421 3.489 . . . . 0.0 120.421 164.244 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.502 2.4 m-85 -58.24 -25.14 61.35 Favored 'General case' 0 N--CA 1.477 0.901 1 C-N-CA 133.737 4.815 . . . . 0.0 117.738 161.277 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -77.11 -15.18 59.66 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 130.771 3.629 . . . . 0.0 119.684 160.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.06 -15.53 20.96 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 117.916 2.562 . . . . 0.0 117.916 171.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.515 HG13 ' O ' ' A' ' 24' ' ' ILE 0.436 0.8 OUTLIER . . . . . 0 CA--C 1.541 0.617 1 C-N-CA 131.96 4.104 . . . . 0.0 114.974 178.78 . . . . . . . . 4 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.741 ' HA ' HG22 ' A' ' 13' ' ' THR 0.303 0.7 OUTLIER . . . . . 0 CA--C 1.534 0.34 1 CA-C-O 111.667 -4.016 . . . . 0.0 114.886 . . . . . . . . . 4 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.32 -4.58 26.82 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 120.186 3.402 . . . . 0.0 120.186 -177.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.495 ' O ' HD13 ' A' ' 16' ' ' ILE 0.446 0.8 OUTLIER -96.15 -54.48 7.04 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 2 CA-C-O 110.062 -4.78 . . . . 0.0 113.439 157.05 . . . . . . . . 5 4 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.741 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.562 0.4 OUTLIER -51.43 -60.48 3.09 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 130.521 3.528 . . . . 0.0 119.896 179.813 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.399 0.0 OUTLIER -53.18 -27.22 20.34 Favored 'General case' 0 N--CA 1.472 0.647 1 C-N-CA 140.711 7.604 . . . . 0.0 121.738 155.752 . . . . . . . . 4 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -95.91 -31.86 7.13 Favored Glycine 0 CA--C 1.521 0.46 1 CA-C-O 112.899 -4.278 . . . . 0.0 117.873 -166.133 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.495 HD13 ' O ' ' A' ' 12' ' ' ILE 0.546 0.1 OUTLIER -60.2 -29.26 43.53 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.808 0 N-CA-C 118.073 2.619 . . . . 0.0 118.073 148.176 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.33 0.0 OUTLIER -77.18 -37.77 26.4 Favored 'Isoleucine or valine' 0 C--N 1.357 0.909 0 C-N-CA 131.585 3.954 . . . . 0.0 115.641 167.803 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.412 ' O ' HG22 ' A' ' 22' ' ' ILE 0.253 2.5 ttp -67.06 -36.43 82.02 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-O 112.449 -3.644 . . . . 0.0 116.695 161.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 32.2 mtm -65.85 -24.41 66.88 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-O 113.784 -3.007 . . . . 0.0 117.155 169.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.455 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 2.0 p -85.97 -29.91 23.17 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 113.633 -3.08 . . . . 0.0 117.964 166.337 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.302 5.3 mt -75.94 -29.39 58.3 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-O 111.72 -3.991 . . . . 0.0 116.871 162.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.412 HG22 ' O ' ' A' ' 18' ' ' MET 0.526 2.0 tp -69.94 -44.96 78.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 131.105 3.762 . . . . 0.0 118.351 172.459 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.259 67.1 t -76.87 -16.89 14.71 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 1 C-N-CA 134.224 5.01 . . . . 0.0 110.589 172.05 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.507 ' O ' HG13 ' A' ' 28' ' ' VAL 0.763 1.1 mp -85.97 -36.63 10.87 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 N-CA-C 121.596 3.925 . . . . 0.0 121.596 163.427 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.46 2.6 m-85 -63.73 -30.69 71.76 Favored 'General case' 0 N--CA 1.477 0.894 1 C-N-CA 134.4 5.08 . . . . 0.0 116.45 161.898 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -75.56 -6.99 53.06 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 120.735 3.606 . . . . 0.0 120.735 158.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . 0.336 . . -93.28 -38.4 11.54 Favored 'General case' 0 CA--C 1.537 0.443 1 CA-C-O 109.249 -5.167 . . . . 0.0 115.662 157.916 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.507 HG13 ' O ' ' A' ' 24' ' ' ILE 0.537 0.9 OUTLIER . . . . . 0 CA--C 1.54 0.566 0 N-CA-C 118.159 2.651 . . . . 0.0 118.159 -174.668 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.861 ' HA ' HG22 ' A' ' 13' ' ' THR . 0.4 OUTLIER . . . . . 0 CA--C 1.536 0.413 0 CA-C-O 112.845 -3.455 . . . . 0.0 115.335 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.83 -11.67 29.24 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 120.042 3.349 . . . . 0.0 120.042 -176.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.522 ' O ' HD13 ' A' ' 16' ' ' ILE 0.515 0.7 OUTLIER -89.66 -55.59 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 1 CA-C-O 109.853 -4.88 . . . . 0.0 115.561 155.007 . . . . . . . . 5 4 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.861 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.551 0.4 OUTLIER -48.65 -59.35 3.6 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 130.496 3.518 . . . . 0.0 119.483 179.535 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.403 0.0 OUTLIER -53.72 -28.52 34.56 Favored 'General case' 0 N--CA 1.472 0.638 2 C-N-CA 141.243 7.817 . . . . 0.0 122.305 156.242 . . . . . . . . 4 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -98.86 -30.31 6.83 Favored Glycine 0 C--N 1.335 0.481 1 CA-C-O 112.235 -4.647 . . . . 0.0 117.173 -163.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.522 HD13 ' O ' ' A' ' 12' ' ' ILE 0.518 0.1 OUTLIER -60.81 -29.57 45.48 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 CA-C-O 114.682 -2.58 . . . . 0.0 117.477 148.454 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -78.73 -33.48 16.64 Favored 'Isoleucine or valine' 0 C--N 1.358 0.958 0 C-N-CA 131.173 3.789 . . . . 0.0 114.64 168.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.445 ' O ' HG22 ' A' ' 22' ' ' ILE . 2.3 tmm? -72.97 -34.65 66.61 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 112.18 -3.771 . . . . 0.0 115.747 164.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 17.5 mtm -71.02 -23.39 62.16 Favored 'General case' 0 C--N 1.345 0.406 0 CA-C-O 113.359 -3.21 . . . . 0.0 116.994 171.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.491 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 3.3 p -79.81 -36.07 37.52 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 113.411 -3.185 . . . . 0.0 117.771 163.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.3 4.0 mt -75.34 -27.93 59.4 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 131.058 3.743 . . . . 0.0 116.789 168.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.445 HG22 ' O ' ' A' ' 18' ' ' MET 0.52 2.1 tp -69.18 -45.5 79.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 131.521 3.928 . . . . 0.0 118.192 168.794 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.288 91.1 t -75.8 -18.25 15.56 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 1 C-N-CA 134.116 4.966 . . . . 0.0 111.125 172.375 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.506 ' O ' HG13 ' A' ' 28' ' ' VAL 0.749 1.1 mp -86.31 -37.47 11.62 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 N-CA-C 120.798 3.629 . . . . 0.0 120.798 165.08 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.478 2.6 m-85 -61.67 -32.71 72.9 Favored 'General case' 0 N--CA 1.478 0.964 1 C-N-CA 134.725 5.21 . . . . 0.0 115.318 161.635 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -73.44 -7.02 50.01 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 120.704 3.594 . . . . 0.0 120.704 161.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -101.59 -28.65 12.4 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 114.019 -2.896 . . . . 0.0 116.634 164.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.506 HG13 ' O ' ' A' ' 24' ' ' ILE 0.51 0.7 OUTLIER . . . . . 0 CA--C 1.539 0.543 0 C-N-CA 130.267 3.427 . . . . 0.0 115.706 -179.482 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.821 ' HA ' HG22 ' A' ' 13' ' ' THR 0.302 1.0 OUTLIER . . . . . 0 N--CA 1.468 0.43 0 CA-C-O 113.857 -2.973 . . . . 0.0 115.484 . . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.53 -4.68 9.03 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 120.997 3.703 . . . . 0.0 120.997 -178.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.49 ' O ' HD13 ' A' ' 16' ' ' ILE 0.46 0.8 OUTLIER -95.0 -55.62 5.95 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 2 CA-C-O 109.944 -4.836 . . . . 0.0 113.253 156.365 . . . . . . . . 5 4 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.821 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.569 0.4 OUTLIER -50.89 -61.83 1.98 Allowed 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 130.359 3.463 . . . . 0.0 118.716 -178.747 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.397 0.0 OUTLIER -52.49 -24.51 8.15 Favored 'General case' 0 N--CA 1.473 0.72 2 C-N-CA 140.768 7.627 . . . . 0.0 122.217 156.52 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -100.29 -33.8 5.02 Favored Glycine 0 C--N 1.333 0.396 1 CA-C-O 111.343 -5.143 . . . . 0.0 116.317 -162.297 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.49 HD13 ' O ' ' A' ' 12' ' ' ILE 0.515 0.1 OUTLIER -60.05 -30.52 45.81 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.837 0 O-C-N 127.753 2.678 . . . . 0.0 117.41 148.202 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.35 0.1 OUTLIER -75.93 -33.47 25.36 Favored 'Isoleucine or valine' 0 C--N 1.357 0.912 0 C-N-CA 130.754 3.622 . . . . 0.0 115.356 165.825 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.464 ' O ' HG22 ' A' ' 22' ' ' ILE 0.285 0.0 OUTLIER -71.42 -38.99 71.36 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-O 113.199 -3.286 . . . . 0.0 117.238 162.393 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.2 mmt -64.39 -19.33 65.43 Favored 'General case' 0 C--N 1.343 0.3 0 CA-C-O 112.958 -3.401 . . . . 0.0 117.157 171.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.508 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 5.1 p -89.45 -35.24 16.11 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 113.929 -2.939 . . . . 0.0 116.588 168.632 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.2 mp -79.46 -25.32 41.94 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 130.655 3.582 . . . . 0.0 115.319 173.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.464 HG22 ' O ' ' A' ' 18' ' ' MET 0.494 2.0 tp -68.39 -49.28 67.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 131.51 3.924 . . . . 0.0 118.13 165.552 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.25 90.6 t -72.92 -17.89 18.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 1 C-N-CA 134.238 5.015 . . . . 0.0 111.182 173.689 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.508 ' HB ' ' O ' ' A' ' 20' ' ' THR 0.714 1.1 mp -85.46 -36.92 11.55 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 N-CA-C 120.359 3.466 . . . . 0.0 120.359 163.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.499 3.1 m-85 -60.59 -28.27 68.36 Favored 'General case' 0 N--CA 1.477 0.901 1 C-N-CA 134.055 4.942 . . . . 0.0 117.475 162.41 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -76.63 -13.89 60.02 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 120.606 3.558 . . . . 0.0 120.606 162.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.33 -16.79 19.2 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 128.072 2.549 . . . . 0.0 117.223 168.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.508 HG13 ' O ' ' A' ' 24' ' ' ILE 0.464 0.9 OUTLIER . . . . . 0 CA--C 1.542 0.649 0 C-N-CA 131.222 3.809 . . . . 0.0 114.855 178.648 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.718 ' HA ' HG22 ' A' ' 13' ' ' THR 0.361 1.1 tt . . . . . 0 N--CA 1.468 0.452 0 CA-C-O 112.716 -3.516 . . . . 0.0 116.347 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.19 -0.85 1.88 Allowed 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 121.419 3.859 . . . . 0.0 121.419 -178.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.492 ' O ' HD13 ' A' ' 16' ' ' ILE 0.45 1.2 mp -101.87 -58.09 4.1 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 2 CA-C-O 110.049 -4.786 . . . . 0.0 109.475 160.466 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.718 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.556 0.4 OUTLIER -50.03 -60.42 2.95 Favored 'General case' 0 N--CA 1.482 1.14 1 C-N-CA 131.731 4.012 . . . . 0.0 119.127 -179.03 . . . . . . . . 5 4 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.427 0.0 OUTLIER -52.06 -29.03 19.52 Favored 'General case' 0 N--CA 1.472 0.67 2 C-N-CA 139.843 7.257 . . . . 0.0 122.745 157.18 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -103.32 -26.96 6.69 Favored Glycine 0 CA--C 1.522 0.503 1 CA-C-O 112.413 -4.548 . . . . 0.0 117.631 -163.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.492 HD13 ' O ' ' A' ' 12' ' ' ILE 0.544 0.1 OUTLIER -62.92 -29.75 47.92 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.851 0 CA-C-O 114.628 -2.606 . . . . 0.0 117.462 144.406 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.3 0.0 OUTLIER -74.33 -34.89 38.1 Favored 'Isoleucine or valine' 0 C--N 1.359 1.014 0 C-N-CA 130.428 3.491 . . . . 0.0 115.465 165.123 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -75.72 -34.63 60.36 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 113.017 -3.373 . . . . 0.0 117.342 168.008 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 11.9 mtt -62.97 -28.14 69.88 Favored 'General case' 0 C--N 1.345 0.403 0 CA-C-O 113.448 -3.168 . . . . 0.0 116.774 166.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.505 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 4.3 p -80.55 -35.17 34.77 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 113.338 -3.22 . . . . 0.0 116.829 169.545 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.375 6.1 mt -71.39 -31.75 67.65 Favored 'General case' 0 N--CA 1.477 0.921 1 CA-C-O 110.746 -4.455 . . . . 0.0 116.975 164.339 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . 0.535 1.7 tp -70.07 -41.82 79.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 131.598 3.959 . . . . 0.0 117.836 171.407 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.261 59.2 t -77.56 -19.02 14.07 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 1 C-N-CA 134.85 5.26 . . . . 0.0 110.792 172.339 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.555 ' O ' HG13 ' A' ' 28' ' ' VAL 0.752 1.1 mp -88.13 -43.28 15.36 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 N-CA-C 120.296 3.443 . . . . 0.0 120.296 168.184 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.455 3.3 m-30 -52.91 -35.15 57.86 Favored 'General case' 0 N--CA 1.476 0.865 1 C-N-CA 134.974 5.309 . . . . 0.0 116.449 154.959 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . 0.364 79.5 t60 -61.71 -25.16 67.25 Favored 'General case' 0 N--CA 1.469 0.476 1 CA-C-O 107.207 -6.139 . . . . 0.0 119.178 159.919 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.29 -16.15 18.59 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 117.017 2.229 . . . . 0.0 117.017 177.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.555 HG13 ' O ' ' A' ' 24' ' ' ILE 0.434 0.8 OUTLIER . . . . . 0 CA--C 1.54 0.577 0 C-N-CA 130.47 3.508 . . . . 0.0 113.542 177.596 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.847 ' HA ' HG22 ' A' ' 13' ' ' THR 0.253 0.6 OUTLIER . . . . . 0 CA--C 1.534 0.34 0 CA-C-O 112.075 -3.821 . . . . 0.0 114.14 . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.65 -8.77 15.69 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 121.037 3.717 . . . . 0.0 121.037 -178.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.477 ' O ' HD13 ' A' ' 16' ' ' ILE 0.508 0.8 OUTLIER -92.8 -57.09 4.58 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 1 CA-C-O 110.208 -4.711 . . . . 0.0 113.332 156.969 . . . . . . . . 5 4 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.847 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.555 0.3 OUTLIER -47.45 -59.5 3.18 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 130.866 3.666 . . . . 0.0 119.987 179.531 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.417 0.0 OUTLIER -53.72 -31.32 47.75 Favored 'General case' 0 N--CA 1.471 0.607 2 C-N-CA 141.376 7.87 . . . . 0.0 122.918 157.621 . . . . . . . . 4 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -101.2 -22.66 10.38 Favored Glycine 0 CA--C 1.522 0.502 0 CA-C-O 113.789 -3.784 . . . . 0.0 118.376 -164.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.477 HD13 ' O ' ' A' ' 12' ' ' ILE 0.538 0.1 OUTLIER -63.77 -31.93 55.02 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.828 0 CA-C-O 114.717 -2.563 . . . . 0.0 117.588 144.028 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.28 0.0 OUTLIER -74.79 -35.7 37.5 Favored 'Isoleucine or valine' 0 C--N 1.359 0.996 0 C-N-CA 131.432 3.893 . . . . 0.0 114.481 166.47 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.436 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -70.31 -36.76 74.5 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 112.156 -3.783 . . . . 0.0 116.8 164.553 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 13.4 mtp -62.16 -27.42 68.94 Favored 'General case' 0 C--N 1.347 0.462 0 CA-C-O 113.282 -3.246 . . . . 0.0 118.278 166.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.455 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 2.2 p -83.88 -31.36 25.76 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 114.309 -2.758 . . . . 0.0 117.48 169.635 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.39 5.4 mt -72.82 -36.14 67.46 Favored 'General case' 0 N--CA 1.476 0.868 1 CA-C-O 110.553 -4.546 . . . . 0.0 116.432 162.554 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.436 HG22 ' O ' ' A' ' 18' ' ' MET 0.569 1.7 tp -64.73 -44.11 96.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 131.26 3.824 . . . . 0.0 118.649 173.094 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.264 90.7 t -78.13 -20.11 13.56 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 1 C-N-CA 133.812 4.845 . . . . 0.0 110.107 175.596 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.558 ' O ' HG13 ' A' ' 28' ' ' VAL 0.714 1.2 mp -84.89 -40.58 15.16 Favored 'Isoleucine or valine' 0 C--N 1.351 0.64 0 N-CA-C 119.838 3.273 . . . . 0.0 119.838 166.912 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.504 2.3 m-85 -56.66 -34.86 67.75 Favored 'General case' 0 N--CA 1.472 0.661 2 C-N-CA 134.016 4.926 . . . . 0.0 116.938 160.271 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -71.27 -10.49 59.85 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 121.128 3.751 . . . . 0.0 121.128 160.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -101.82 -21.03 14.68 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 114.797 -2.525 . . . . 0.0 117.045 166.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 24' ' ' ILE 0.49 0.9 OUTLIER . . . . . 0 CA--C 1.539 0.541 0 C-N-CA 129.323 3.049 . . . . 0.0 116.34 178.626 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.726 ' HA ' HG22 ' A' ' 13' ' ' THR 0.371 0.4 OUTLIER . . . . . 0 N--CA 1.469 0.512 0 CA-C-O 113.204 -3.284 . . . . 0.0 116.08 . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.25 -6.5 9.8 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 120.628 3.566 . . . . 0.0 120.628 179.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.522 ' O ' HD13 ' A' ' 16' ' ' ILE 0.444 0.7 OUTLIER -92.97 -59.7 2.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 1 CA-C-O 110.45 -4.595 . . . . 0.0 113.237 155.446 . . . . . . . . 5 4 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.726 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.548 0.3 OUTLIER -49.17 -61.85 1.85 Allowed 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 130.567 3.547 . . . . 0.0 119.917 -179.282 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.38 0.0 OUTLIER -49.57 -28.01 5.14 Favored 'General case' 0 N--CA 1.473 0.682 2 C-N-CA 139.957 7.303 . . . . 0.0 122.176 154.189 . . . . . . . . 4 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -97.78 -32.62 6.15 Favored Glycine 0 C--N 1.334 0.452 1 CA-C-O 111.052 -5.304 . . . . 0.0 117.025 -164.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.522 HD13 ' O ' ' A' ' 12' ' ' ILE 0.535 0.1 OUTLIER -58.82 -31.28 44.51 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 CA-C-O 114.732 -2.556 . . . . 0.0 117.506 147.199 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.337 0.0 OUTLIER -76.26 -35.68 28.31 Favored 'Isoleucine or valine' 0 C--N 1.357 0.926 0 C-N-CA 131.143 3.777 . . . . 0.0 115.344 167.318 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.424 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.5 OUTLIER -71.0 -37.05 72.67 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 113.221 -3.276 . . . . 0.0 115.65 164.882 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.5 mtp -68.75 -22.81 64.28 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 129.847 3.259 . . . . 0.0 117.216 175.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.514 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 2.0 p -80.51 -35.77 34.17 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 113.457 -3.163 . . . . 0.0 117.779 162.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.7 mp -79.31 -26.56 42.22 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 131.076 3.751 . . . . 0.0 115.952 173.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.424 HG22 ' O ' ' A' ' 18' ' ' MET 0.476 1.9 tp -68.1 -49.32 68.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 1 C-N-CA 133.031 4.533 . . . . 0.0 118.102 166.019 . . . . . . . . 4 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.256 91.5 t -72.46 -18.19 18.87 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 1 C-N-CA 133.79 4.836 . . . . 0.0 110.689 173.172 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.514 ' HB ' ' O ' ' A' ' 20' ' ' THR 0.711 1.1 mp -86.49 -37.54 11.59 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 N-CA-C 120.007 3.336 . . . . 0.0 120.007 165.139 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.514 3.2 m-85 -59.23 -30.65 68.4 Favored 'General case' 0 N--CA 1.476 0.847 1 C-N-CA 133.916 4.886 . . . . 0.0 116.379 161.668 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -77.07 -12.37 59.93 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 120.114 3.376 . . . . 0.0 120.114 164.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.09 -16.95 18.46 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 128.01 2.524 . . . . 0.0 116.984 167.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 24' ' ' ILE 0.474 0.8 OUTLIER . . . . . 0 CA--C 1.541 0.619 0 C-N-CA 130.508 3.523 . . . . 0.0 114.764 177.307 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.851 ' HA ' HG22 ' A' ' 13' ' ' THR 0.25 0.7 OUTLIER . . . . . 0 CA--C 1.535 0.388 0 CA-C-O 112.667 -3.54 . . . . 0.0 115.458 . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.44 -8.56 19.63 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 120.646 3.573 . . . . 0.0 120.646 -177.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.518 ' O ' HD13 ' A' ' 16' ' ' ILE 0.46 0.7 OUTLIER -91.63 -58.08 3.84 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 2 CA-C-O 110.645 -4.502 . . . . 0.0 113.473 156.739 . . . . . . . . 5 4 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.851 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.553 0.3 OUTLIER -48.42 -59.91 3.1 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 130.671 3.588 . . . . 0.0 120.422 179.893 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.39 0.0 OUTLIER -53.29 -26.77 19.68 Favored 'General case' 0 N--CA 1.472 0.669 1 C-N-CA 141.246 7.819 . . . . 0.0 121.659 155.492 . . . . . . . . 4 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -100.21 -31.96 5.71 Favored Glycine 0 C--N 1.333 0.383 1 CA-C-O 111.685 -4.953 . . . . 0.0 115.894 -160.543 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.518 HD13 ' O ' ' A' ' 12' ' ' ILE 0.56 0.1 OUTLIER -59.11 -31.63 46.27 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 CA-C-O 114.07 -2.871 . . . . 0.0 117.869 147.18 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -77.91 -38.77 25.08 Favored 'Isoleucine or valine' 0 C--N 1.357 0.898 0 C-N-CA 131.026 3.73 . . . . 0.0 114.873 170.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.434 ' O ' HG22 ' A' ' 22' ' ' ILE . 1.6 mtp -66.05 -36.64 83.78 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-O 113.763 -3.018 . . . . 0.0 117.393 161.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 34.5 mtt -67.55 -23.5 65.43 Favored 'General case' 0 C--N 1.346 0.442 0 CA-C-O 113.735 -3.031 . . . . 0.0 116.964 171.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.498 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 1.3 p -82.86 -32.84 27.24 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 113.215 -3.279 . . . . 0.0 118.102 164.162 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.337 5.5 mt -74.68 -28.74 60.95 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 112.03 -3.843 . . . . 0.0 117.033 165.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.434 HG22 ' O ' ' A' ' 18' ' ' MET 0.507 2.0 tp -68.19 -48.96 71.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 131.332 3.853 . . . . 0.0 118.052 170.478 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.253 67.5 t -72.91 -17.22 18.09 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 1 C-N-CA 133.968 4.907 . . . . 0.0 110.895 171.875 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.533 ' O ' HG13 ' A' ' 28' ' ' VAL 0.721 1.2 mp -86.92 -35.97 9.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 N-CA-C 120.411 3.486 . . . . 0.0 120.411 164.105 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.496 2.5 m-85 -64.42 -31.73 73.06 Favored 'General case' 0 N--CA 1.476 0.851 1 C-N-CA 134.113 4.965 . . . . 0.0 115.553 164.767 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -74.43 -10.09 59.23 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 120.154 3.39 . . . . 0.0 120.154 161.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . 0.28 . . -94.98 -28.9 14.91 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 111.787 -3.959 . . . . 0.0 115.976 164.028 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.533 HG13 ' O ' ' A' ' 24' ' ' ILE 0.485 0.7 OUTLIER . . . . . 0 CA--C 1.542 0.648 0 C-N-CA 130.056 3.342 . . . . 0.0 116.845 -176.562 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 109.84 -0.429 . . . . 0.0 109.84 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.312 2.3 pp -132.42 138.2 52.72 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.957 1 C-N-CA 132.563 4.345 . . . . 0.0 110.233 171.811 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.475 13.5 m 51.32 -169.4 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.38 2 C-N-CA 135.67 5.588 . . . . 0.0 123.42 -174.154 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . 0.308 0.3 OUTLIER -71.34 102.45 2.61 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 129.504 3.121 . . . . 0.0 116.302 155.435 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -141.49 137.19 31.92 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 131.399 3.88 . . . . 0.0 116.115 174.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.289 0.0 OUTLIER -52.08 -5.24 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.9 2 C-N-CA 134.563 5.145 . . . . 0.0 121.837 159.369 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.419 ' O ' ' HB3' ' A' ' 10' ' ' LEU 0.287 2.8 mm? -57.18 -3.69 0.16 Allowed 'General case' 0 CA--C 1.546 0.812 1 C-N-CA 133.119 4.568 . . . . 0.0 118.823 168.525 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -51.06 -12.88 0.13 Allowed 'General case' 0 N--CA 1.478 0.943 1 C-N-CA 134.203 5.001 . . . . 0.0 118.47 148.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.8 m -65.99 -15.01 62.63 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 130.146 3.379 . . . . 0.0 118.567 156.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.744 ' HA ' HG22 ' A' ' 13' ' ' THR 0.346 0.7 OUTLIER -67.18 -43.33 82.45 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 131.689 3.995 . . . . 0.0 115.799 151.378 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.48 -4.16 25.09 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 119.456 3.132 . . . . 0.0 119.456 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.47 ' O ' HD13 ' A' ' 16' ' ' ILE 0.539 0.3 OUTLIER -93.15 -57.12 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 1 CA-C-O 109.184 -5.198 . . . . 0.0 114.773 149.751 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.744 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.589 0.4 OUTLIER -50.18 -60.66 2.75 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 130.136 3.374 . . . . 0.0 119.714 -176.058 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.418 0.0 OUTLIER -49.79 -28.12 5.88 Favored 'General case' 0 N--CA 1.475 0.803 2 C-N-CA 139.608 7.163 . . . . 0.0 122.79 155.317 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -103.56 -32.08 4.65 Favored Glycine 0 CA--C 1.523 0.537 1 CA-C-O 112.925 -4.264 . . . . 0.0 116.695 -159.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.47 HD13 ' O ' ' A' ' 12' ' ' ILE 0.554 0.1 OUTLIER -59.71 -27.79 38.78 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 CA-C-O 114.18 -2.819 . . . . 0.0 117.758 144.76 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.323 0.0 OUTLIER -79.95 -36.05 16.63 Favored 'Isoleucine or valine' 0 C--N 1.359 1.013 0 C-N-CA 131.122 3.769 . . . . 0.0 114.851 169.135 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.455 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -68.97 -36.19 77.6 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-O 112.527 -3.606 . . . . 0.0 115.098 163.352 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 10.0 mtt -68.89 -26.11 64.95 Favored 'General case' 0 C--N 1.346 0.418 0 CA-C-O 113.749 -3.024 . . . . 0.0 117.828 171.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.529 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 3.3 p -79.92 -32.66 40.16 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 113.435 -3.174 . . . . 0.0 117.616 165.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.338 5.4 mt -76.43 -29.45 57.0 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 111.724 -3.989 . . . . 0.0 116.769 167.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.455 HG22 ' O ' ' A' ' 18' ' ' MET 0.512 1.8 tp -70.33 -44.79 77.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 130.987 3.715 . . . . 0.0 118.679 171.024 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.263 87.5 t -75.53 -18.25 15.78 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 1 C-N-CA 134.011 4.925 . . . . 0.0 110.613 172.513 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.529 ' HB ' ' O ' ' A' ' 20' ' ' THR 0.716 1.1 mp -87.56 -39.75 13.21 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 N-CA-C 119.638 3.199 . . . . 0.0 119.638 167.02 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.46 3.2 m-30 -59.52 -25.4 64.45 Favored 'General case' 0 N--CA 1.476 0.847 1 C-N-CA 134.499 5.119 . . . . 0.0 117.446 161.802 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -78.73 -18.07 54.85 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 129.439 3.096 . . . . 0.0 118.89 164.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.88 -16.47 22.86 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.876 2.47 . . . . 0.0 117.08 170.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.477 HG13 ' O ' ' A' ' 24' ' ' ILE 0.418 1.0 OUTLIER -101.98 -54.79 6.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 130.893 3.677 . . . . 0.0 116.363 178.605 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -85.53 -57.62 2.99 Favored 'General case' 0 CA--C 1.546 0.807 1 C-N-CA 134.026 4.93 . . . . 0.0 114.507 -173.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.07 -176.49 2.56 Favored 'General case' 0 N--CA 1.479 1.009 1 C-N-CA 134.046 4.938 . . . . 0.0 119.188 153.256 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 87.7 m -73.9 132.06 42.1 Favored 'General case' 0 N--CA 1.483 1.177 1 C-N-CA 132.296 4.238 . . . . 0.0 116.303 172.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -49.01 107.79 0.15 Allowed 'General case' 0 N--CA 1.474 0.747 1 C-N-CA 132.702 4.401 . . . . 0.0 118.49 168.084 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . 0.34 0.3 OUTLIER -95.29 94.8 1.43 Allowed Pre-proline 0 CA--C 1.536 0.429 2 CA-C-N 103.356 -6.293 . . . . 0.0 116.686 161.711 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . 0.288 19.1 Cg_endo -82.77 134.36 7.3 Favored 'Trans proline' 0 C--N 1.361 1.219 0 C-N-CA 125.161 3.907 . . . . 0.0 121.115 148.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? -74.34 -42.57 59.19 Favored 'General case' 0 N--CA 1.477 0.886 1 C-N-CA 134.223 5.009 . . . . 0.0 114.596 173.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . 0.394 0.1 OUTLIER . . . . . 0 C--O 1.25 1.105 0 C-N-CA 127.756 2.422 . . . . 0.0 109.028 -171.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 0.401 8.8 ptm . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 115.36 -2.257 . . . . 0.0 116.93 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.384 1.2 pp -126.94 159.63 36.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 130.559 3.544 . . . . 0.0 114.315 -158.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.321 21.4 m -66.19 88.72 0.12 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 128.426 2.691 . . . . 0.0 117.442 170.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -127.59 -177.42 4.09 Favored 'General case' 0 CA--C 1.552 1.049 2 C-N-CA 133.958 4.903 . . . . 0.0 112.425 167.468 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -45.06 146.25 0.88 Allowed 'General case' 0 N--CA 1.482 1.172 2 C-N-CA 134.485 5.114 . . . . 0.0 123.438 150.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.369 4.0 pt20 -51.38 -13.5 0.21 Allowed 'General case' 0 N--CA 1.48 1.066 1 C-N-CA 135.808 5.643 . . . . 0.0 121.463 173.475 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -47.82 8.14 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.034 1 C-N-CA 136.471 5.909 . . . . 0.0 120.858 157.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -62.25 -19.79 63.58 Favored 'General case' 0 N--CA 1.476 0.844 1 C-N-CA 134.013 4.925 . . . . 0.0 118.076 142.025 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.47 -14.38 60.85 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 130.012 3.325 . . . . 0.0 119.447 155.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.748 ' HA ' HG22 ' A' ' 13' ' ' THR 0.322 0.6 OUTLIER -72.13 -48.35 44.32 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-O 113.119 -3.324 . . . . 0.0 115.571 149.385 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.47 -0.12 0.83 Allowed 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 121.367 3.84 . . . . 0.0 121.367 -177.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.363 1.5 mp -112.72 -46.45 5.42 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.801 1 C-N-CA 133.094 4.558 . . . . 0.0 109.507 172.276 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.748 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.527 0.3 OUTLIER -61.12 -62.69 1.66 Allowed 'General case' 0 N--CA 1.477 0.879 1 C-N-CA 132.567 4.347 . . . . 0.0 117.345 178.411 . . . . . . . . 5 4 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.403 0.0 OUTLIER -47.35 -31.31 3.85 Favored 'General case' 0 N--CA 1.47 0.56 1 C-N-CA 139.042 6.937 . . . . 0.0 121.195 151.111 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -91.89 -30.67 10.06 Favored Glycine 0 CA--C 1.522 0.498 0 CA-C-O 114.272 -3.516 . . . . 0.0 118.769 -168.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . 0.606 1.0 OUTLIER -61.24 -31.54 50.5 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 CA-C-O 113.223 -3.275 . . . . 0.0 117.929 150.925 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.283 0.0 OUTLIER -81.35 -35.86 14.36 Favored 'Isoleucine or valine' 0 C--N 1.357 0.909 1 C-N-CA 132.313 4.245 . . . . 0.0 114.585 173.035 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.455 ' O ' HG22 ' A' ' 22' ' ' ILE . 4.3 mtp -71.82 -30.01 65.04 Favored 'General case' 0 C--N 1.356 0.879 0 CA-C-O 112.393 -3.67 . . . . 0.0 118.061 159.036 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 11.9 tpt -71.19 -30.41 66.38 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-O 112.973 -3.394 . . . . 0.0 114.592 170.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.586 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 10.1 p -81.64 -29.99 32.96 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 113.528 -3.13 . . . . 0.0 116.196 176.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.321 10.2 mt -74.5 -30.45 61.82 Favored 'General case' 0 N--CA 1.473 0.707 1 CA-C-O 111.162 -4.256 . . . . 0.0 117.715 159.35 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.455 HG22 ' O ' ' A' ' 18' ' ' MET 0.517 2.4 tp -72.93 -44.54 57.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 129.869 3.268 . . . . 0.0 118.225 173.034 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.4 t -76.0 -19.7 15.43 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.688 1 C-N-CA 134.655 5.182 . . . . 0.0 110.075 172.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.586 ' HB ' ' O ' ' A' ' 20' ' ' THR 0.726 1.1 mp -84.5 -36.91 12.2 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 N-CA-C 120.812 3.634 . . . . 0.0 120.812 162.702 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.548 2.8 m-85 -59.58 -31.73 69.71 Favored 'General case' 0 N--CA 1.476 0.858 1 C-N-CA 133.201 4.6 . . . . 0.0 116.452 163.722 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . 0.255 71.3 t60 -70.95 -15.9 62.62 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 121.006 3.706 . . . . 0.0 121.006 160.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.78 -17.14 17.83 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 128.18 2.592 . . . . 0.0 116.107 171.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.532 HG13 ' O ' ' A' ' 24' ' ' ILE 0.482 0.7 OUTLIER -100.87 -55.93 5.58 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 C-N-CA 130.945 3.698 . . . . 0.0 115.357 176.026 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -76.92 -47.46 20.98 Favored 'General case' 0 CA--C 1.546 0.809 1 C-N-CA 134.193 4.997 . . . . 0.0 116.471 -177.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.67 146.56 23.57 Favored 'General case' 0 N--CA 1.477 0.888 1 C-N-CA 133.516 4.726 . . . . 0.0 115.691 168.597 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.316 32.8 m -75.24 92.57 2.75 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 130.741 3.616 . . . . 0.0 113.442 -156.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.3 mtm -150.41 170.33 19.31 Favored 'General case' 0 N--CA 1.477 0.897 1 C-N-CA 135.871 5.668 . . . . 0.0 114.115 -169.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . 0.286 75.6 p -50.76 108.52 1.05 Allowed Pre-proline 0 N--CA 1.479 1.022 1 C-N-CA 133.372 4.669 . . . . 0.0 120.276 175.582 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . 0.429 12.2 Cg_endo -80.55 102.34 1.4 Allowed 'Trans proline' 0 C--N 1.371 1.719 1 N-CA-C 123.736 4.475 . . . . 0.0 123.736 -174.563 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.02 128.46 20.08 Favored 'General case' 0 N--CA 1.484 1.225 1 C-N-CA 134.217 5.007 . . . . 0.0 113.9 177.581 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . 0.587 1.5 m-80 . . . . . 0 C--O 1.249 1.053 1 C-N-CA 137.362 6.265 . . . . 0.0 106.631 133.713 . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 120.857 0.36 . . . . 0.0 110.739 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.434 4.2 pt -117.94 91.7 1.9 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 C-N-CA 129.538 3.135 . . . . 0.0 110.06 175.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.323 63.3 m -124.44 -76.23 0.59 Allowed 'General case' 0 N--CA 1.477 0.88 0 CA-C-O 112.909 -3.424 . . . . 0.0 115.437 173.179 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -118.17 95.03 4.72 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 129.438 3.095 . . . . 0.0 110.346 -170.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.359 0.4 OUTLIER -144.78 128.46 17.19 Favored 'General case' 0 N--CA 1.471 0.603 1 C-N-CA 132.32 4.248 . . . . 0.0 114.277 -177.163 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.299 2.7 pm0 -80.45 1.68 28.23 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 131.662 3.985 . . . . 0.0 120.152 155.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.64 2.91 0.39 Allowed 'General case' 0 CA--C 1.548 0.895 1 C-N-CA 132.665 4.386 . . . . 0.0 119.867 167.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -55.53 -14.29 1.98 Allowed 'General case' 0 N--CA 1.478 0.935 1 C-N-CA 133.088 4.555 . . . . 0.0 118.791 151.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 61.5 m -62.75 -11.87 20.4 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 130.556 3.543 . . . . 0.0 120.111 155.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.786 ' HA ' HG22 ' A' ' 13' ' ' THR 0.316 0.6 OUTLIER -72.82 -43.61 62.48 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 130.48 3.512 . . . . 0.0 115.562 151.546 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.53 -6.01 33.13 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 120.299 3.444 . . . . 0.0 120.299 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.429 ' O ' HD13 ' A' ' 16' ' ' ILE 0.504 0.1 OUTLIER -87.17 -62.01 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.815 1 CA-C-O 109.34 -5.124 . . . . 0.0 115.751 146.656 . . . . . . . . 5 4 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.786 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.549 0.4 OUTLIER -44.91 -60.4 2.08 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 124.617 3.371 . . . . 0.0 120.007 -176.188 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.407 0.0 OUTLIER -52.77 -28.02 20.53 Favored 'General case' 0 N--CA 1.471 0.604 2 C-N-CA 140.994 7.718 . . . . 0.0 122.93 157.696 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -103.3 -24.55 7.86 Favored Glycine 0 CA--C 1.525 0.679 0 C-N-CA 129.801 3.572 . . . . 0.0 119.007 -166.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.429 HD13 ' O ' ' A' ' 12' ' ' ILE 0.533 0.1 OUTLIER -62.2 -32.51 54.94 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 N-CA-C 117.304 2.335 . . . . 0.0 117.304 144.142 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.339 0.1 OUTLIER -74.05 -33.74 36.71 Favored 'Isoleucine or valine' 0 C--N 1.356 0.868 0 C-N-CA 130.78 3.632 . . . . 0.0 115.496 163.05 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.489 ' O ' HG22 ' A' ' 22' ' ' ILE . 1.8 ttt -71.76 -36.09 70.28 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-O 111.917 -3.896 . . . . 0.0 115.297 165.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -65.95 -25.88 67.32 Favored 'General case' 0 C--N 1.344 0.365 0 CA-C-O 111.828 -3.939 . . . . 0.0 115.752 172.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.567 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 1.9 p -83.95 -33.86 24.56 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 113.669 -3.062 . . . . 0.0 116.476 173.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.0 mp -79.19 -27.14 42.58 Favored 'General case' 0 CA--C 1.55 0.974 1 C-N-CA 132.0 4.12 . . . . 0.0 115.762 169.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.489 HG22 ' O ' ' A' ' 18' ' ' MET 0.551 1.9 tp -70.25 -49.08 57.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 1 C-N-CA 132.075 4.15 . . . . 0.0 118.031 167.797 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.26 99.9 t -73.56 -17.51 17.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.596 1 C-N-CA 134.352 5.061 . . . . 0.0 110.496 174.094 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.567 ' HB ' ' O ' ' A' ' 20' ' ' THR 0.724 1.1 mp -87.53 -36.3 9.48 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 N-CA-C 119.911 3.301 . . . . 0.0 119.911 164.904 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.533 3.1 m-85 -59.08 -36.77 75.67 Favored 'General case' 0 N--CA 1.478 0.974 1 C-N-CA 134.026 4.93 . . . . 0.0 116.024 161.96 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -68.93 -9.33 51.34 Favored 'General case' 0 N--CA 1.469 0.513 1 N-CA-C 121.93 4.048 . . . . 0.0 121.93 161.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -105.36 -21.28 13.26 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 128.491 2.716 . . . . 0.0 116.619 168.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.538 HG13 ' O ' ' A' ' 24' ' ' ILE 0.488 0.8 OUTLIER -97.51 -59.71 3.07 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 C-N-CA 130.35 3.46 . . . . 0.0 115.718 178.882 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.48 -28.2 12.65 Favored 'General case' 0 CA--C 1.546 0.799 1 C-N-CA 134.682 5.193 . . . . 0.0 119.288 167.035 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 p -69.68 172.75 7.0 Favored 'General case' 0 N--CA 1.476 0.837 1 C-N-CA 133.966 4.906 . . . . 0.0 120.267 159.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.309 27.1 m -73.71 82.62 1.58 Allowed 'General case' 0 N--CA 1.477 0.897 1 C-N-CA 131.723 4.009 . . . . 0.0 112.716 -175.729 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.68 156.44 46.82 Favored 'General case' 0 CA--C 1.542 0.65 2 C-N-CA 135.875 5.67 . . . . 0.0 111.959 173.149 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . 0.272 92.1 p -55.13 110.5 2.24 Favored Pre-proline 0 CA--C 1.547 0.857 1 C-N-CA 132.938 4.495 . . . . 0.0 119.136 165.717 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . 0.392 2.1 Cg_endo -78.6 108.92 2.53 Favored 'Trans proline' 0 C--N 1.369 1.635 2 N-CA-C 124.022 4.585 . . . . 0.0 124.022 175.758 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.9 tmtm? -124.45 117.38 24.27 Favored 'General case' 0 N--CA 1.477 0.91 1 C-N-CA 134.119 4.968 . . . . 0.0 111.365 178.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . 0.338 0.8 OUTLIER . . . . . 0 C--O 1.249 1.049 0 C-N-CA 129.65 3.18 . . . . 0.0 112.419 154.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 0.27 8.9 mtm . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 113.147 -3.311 . . . . 0.0 115.603 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.391 8.1 pt -120.4 101.75 11.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 129.507 3.123 . . . . 0.0 110.864 -167.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.384 63.1 m -107.72 -82.24 0.55 Allowed 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 112.848 -3.454 . . . . 0.0 115.691 -175.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.63 100.75 5.42 Favored 'General case' 0 N--CA 1.479 1.004 1 C-N-CA 132.343 4.257 . . . . 0.0 108.626 171.445 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -152.55 142.63 22.29 Favored 'General case' 0 N--CA 1.479 1.005 1 C-N-CA 133.52 4.728 . . . . 0.0 113.81 168.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.273 0.0 OUTLIER -67.57 17.65 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.988 1 C-N-CA 133.169 4.587 . . . . 0.0 120.621 156.625 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -67.77 11.9 0.12 Allowed 'General case' 0 CA--C 1.553 1.088 1 C-N-CA 133.153 4.581 . . . . 0.0 118.051 158.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -66.22 -21.65 66.31 Favored 'General case' 0 N--CA 1.48 1.052 1 C-N-CA 133.968 4.907 . . . . 0.0 117.459 152.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.46 -9.44 12.73 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 130.126 3.37 . . . . 0.0 119.658 156.099 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.773 ' HA ' HG22 ' A' ' 13' ' ' THR 0.338 0.7 OUTLIER -76.6 -49.02 17.35 Favored 'General case' 0 C--N 1.344 0.353 0 CA-C-O 112.631 -3.557 . . . . 0.0 115.444 148.911 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.25 -5.76 3.73 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 121.532 3.901 . . . . 0.0 121.532 -177.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.481 ' O ' HD13 ' A' ' 16' ' ' ILE 0.424 1.2 mp -98.55 -60.49 2.71 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.751 2 CA-C-O 110.357 -4.639 . . . . 0.0 109.987 161.6 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.773 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.549 0.4 OUTLIER -46.4 -59.66 2.82 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 131.232 3.813 . . . . 0.0 119.475 179.779 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.464 0.0 OUTLIER -52.43 -31.5 34.74 Favored 'General case' 0 N--CA 1.474 0.745 2 C-N-CA 140.491 7.516 . . . . 0.0 122.762 158.134 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -102.83 -24.7 7.97 Favored Glycine 0 CA--C 1.524 0.641 0 CA-C-O 113.476 -3.958 . . . . 0.0 118.332 -164.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.481 HD13 ' O ' ' A' ' 12' ' ' ILE 0.557 0.1 OUTLIER -63.14 -29.45 47.25 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.882 0 CA-C-O 114.647 -2.597 . . . . 0.0 117.885 143.001 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.315 0.0 OUTLIER -76.46 -36.25 28.21 Favored 'Isoleucine or valine' 0 C--N 1.357 0.922 0 C-N-CA 130.932 3.693 . . . . 0.0 114.804 166.374 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.466 ' O ' HG22 ' A' ' 22' ' ' ILE . 1.8 mtt -69.36 -36.59 77.01 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 112.873 -3.441 . . . . 0.0 117.99 164.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.7 mtt -64.53 -23.61 67.33 Favored 'General case' 0 C--N 1.346 0.419 0 CA-C-O 113.066 -3.35 . . . . 0.0 118.344 165.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.481 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 2.1 p -85.13 -29.19 25.01 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 113.794 -3.003 . . . . 0.0 117.578 167.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.327 5.0 mt -76.45 -30.23 57.26 Favored 'General case' 0 N--CA 1.478 0.929 1 CA-C-O 111.574 -4.06 . . . . 0.0 117.277 163.74 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.466 HG22 ' O ' ' A' ' 18' ' ' MET 0.507 1.8 tp -70.41 -45.58 74.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 131.363 3.865 . . . . 0.0 118.174 172.639 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.261 63.4 t -75.48 -18.67 15.84 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 1 C-N-CA 133.912 4.885 . . . . 0.0 110.15 172.451 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.544 ' O ' HG13 ' A' ' 28' ' ' VAL 0.728 1.1 mp -84.82 -41.35 15.81 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 N-CA-C 120.699 3.592 . . . . 0.0 120.699 165.087 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.539 2.8 m-30 -55.07 -34.92 64.01 Favored 'General case' 0 N--CA 1.475 0.798 2 C-N-CA 134.377 5.071 . . . . 0.0 115.71 160.546 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -69.57 -18.31 63.63 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 120.716 3.599 . . . . 0.0 120.716 165.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -101.63 -14.64 17.33 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 129.148 2.979 . . . . 0.0 116.511 172.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.544 HG13 ' O ' ' A' ' 24' ' ' ILE 0.468 0.7 OUTLIER -100.08 -65.94 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 C-N-CA 130.075 3.35 . . . . 0.0 113.582 173.388 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.72 -0.97 0.12 Allowed 'General case' 0 CA--C 1.545 0.774 1 C-N-CA 134.765 5.226 . . . . 0.0 121.266 162.446 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 27.8 t -31.47 138.79 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.71 1 C-N-CA 134.982 5.313 . . . . 0.0 121.41 149.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.391 28.2 m -88.0 84.14 6.99 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 128.409 2.683 . . . . 0.0 110.702 -174.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -145.17 164.6 30.81 Favored 'General case' 0 CA--C 1.542 0.651 2 C-N-CA 136.614 5.965 . . . . 0.0 110.649 -165.855 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . 0.337 0.1 OUTLIER -45.44 119.54 4.42 Favored Pre-proline 0 CA--C 1.549 0.914 0 C-N-CA 131.671 3.988 . . . . 0.0 120.356 150.019 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -65.73 148.78 87.13 Favored 'Trans proline' 0 C--N 1.37 1.683 2 C-N-CA 126.511 4.807 . . . . 0.0 123.757 168.378 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . 0.446 6.0 tptm -72.03 -49.86 33.3 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 130.991 3.716 . . . . 0.0 115.836 -172.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 48.1 t30 . . . . . 0 C--O 1.256 1.447 0 N-CA-C 104.013 -2.588 . . . . 0.0 104.013 176.216 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 0.258 11.4 mtp . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.36 0.2 OUTLIER -135.81 138.22 48.02 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 129.578 3.151 . . . . 0.0 113.321 176.258 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -72.15 33.26 0.06 Allowed 'General case' 0 CA--C 1.546 0.79 1 C-N-CA 132.139 4.175 . . . . 0.0 119.178 162.004 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -138.36 144.03 40.13 Favored 'General case' 0 N--CA 1.477 0.881 1 C-N-CA 132.688 4.395 . . . . 0.0 112.823 -172.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.32 1.2 mp0 -93.53 110.41 21.99 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 129.134 2.974 . . . . 0.0 117.15 172.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.34 8.4 pt20 -107.76 0.74 22.48 Favored 'General case' 0 CA--C 1.546 0.812 1 C-N-CA 134.851 5.261 . . . . 0.0 116.27 -179.134 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -62.93 7.28 0.08 Allowed 'General case' 0 CA--C 1.553 1.061 1 C-N-CA 133.443 4.697 . . . . 0.0 119.521 169.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -58.99 -17.34 23.97 Favored 'General case' 0 N--CA 1.478 0.975 1 C-N-CA 133.606 4.762 . . . . 0.0 118.922 146.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.31 -14.11 62.75 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 129.552 3.141 . . . . 0.0 118.34 159.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.729 ' HA ' HG22 ' A' ' 13' ' ' THR 0.364 0.7 OUTLIER -72.1 -47.46 51.14 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 130.718 3.607 . . . . 0.0 116.789 148.925 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.44 -6.06 6.55 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 121.115 3.746 . . . . 0.0 121.115 -177.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.546 ' O ' HD13 ' A' ' 16' ' ' ILE 0.435 1.3 mp -99.62 -58.67 3.72 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.775 2 CA-C-O 110.111 -4.757 . . . . 0.0 110.073 162.001 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.729 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.555 0.3 OUTLIER -47.98 -60.24 2.75 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 130.762 3.625 . . . . 0.0 119.272 178.958 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.395 0.0 OUTLIER -53.54 -29.0 34.71 Favored 'General case' 0 N--CA 1.475 0.787 2 C-N-CA 140.353 7.461 . . . . 0.0 122.081 157.844 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -95.98 -34.54 5.9 Favored Glycine 0 CA--C 1.52 0.35 1 CA-C-O 109.942 -5.921 . . . . 0.0 116.083 -164.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.546 HD13 ' O ' ' A' ' 12' ' ' ILE 0.549 0.1 OUTLIER -62.06 -26.15 39.3 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 CA-C-O 113.743 -3.027 . . . . 0.0 117.231 150.586 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.26 0.0 OUTLIER -80.16 -40.71 20.44 Favored 'Isoleucine or valine' 0 C--N 1.361 1.073 1 C-N-CA 132.041 4.136 . . . . 0.0 115.337 169.556 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.463 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -62.65 -36.28 82.33 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 129.842 3.257 . . . . 0.0 117.454 161.141 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 51.1 mtt -72.55 -23.07 60.93 Favored 'General case' 0 C--N 1.345 0.409 0 C-N-CA 130.292 3.437 . . . . 0.0 115.313 174.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.478 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 2.6 p -81.99 -32.85 30.44 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 113.135 -3.317 . . . . 0.0 117.951 162.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.268 3.6 mt -76.81 -26.62 54.6 Favored 'General case' 0 N--CA 1.479 0.989 1 C-N-CA 132.09 4.156 . . . . 0.0 116.728 168.519 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.463 HG22 ' O ' ' A' ' 18' ' ' MET 0.485 2.3 tp -71.2 -46.02 68.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 1 C-N-CA 131.902 4.081 . . . . 0.0 117.867 169.49 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.258 84.8 t -73.78 -19.49 17.73 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 1 C-N-CA 133.462 4.705 . . . . 0.0 110.889 171.361 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.515 ' O ' HG13 ' A' ' 28' ' ' VAL 0.747 1.1 mp -85.02 -36.94 11.84 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 N-CA-C 120.877 3.658 . . . . 0.0 120.877 164.907 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.512 2.7 m-85 -63.57 -29.2 70.49 Favored 'General case' 0 N--CA 1.474 0.749 1 C-N-CA 133.54 4.736 . . . . 0.0 117.113 163.756 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -72.96 -14.19 61.4 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 120.604 3.557 . . . . 0.0 120.604 160.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.75 -20.52 18.17 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 115.23 -2.319 . . . . 0.0 117.102 170.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.515 HG13 ' O ' ' A' ' 24' ' ' ILE 0.442 1.0 OUTLIER -99.96 -57.71 4.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 C-N-CA 130.487 3.515 . . . . 0.0 115.795 178.738 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.27 -54.48 6.42 Favored 'General case' 0 CA--C 1.545 0.773 1 C-N-CA 134.289 5.036 . . . . 0.0 115.511 -178.739 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.49 152.11 27.48 Favored 'General case' 0 N--CA 1.478 0.933 1 C-N-CA 133.037 4.535 . . . . 0.0 119.12 161.127 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.297 61.1 m -81.87 89.73 6.37 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 131.483 3.913 . . . . 0.0 112.965 -165.027 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.7 mtp -137.22 -175.02 3.91 Favored 'General case' 0 N--CA 1.479 1.0 1 C-N-CA 136.005 5.722 . . . . 0.0 114.29 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.9 123.43 25.43 Favored Pre-proline 0 N--CA 1.482 1.148 1 C-N-CA 132.03 4.132 . . . . 0.0 121.253 156.807 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . 0.328 8.1 Cg_endo -84.27 130.39 4.67 Favored 'Trans proline' 0 C--N 1.368 1.591 2 C-N-CA 126.203 4.602 . . . . 0.0 123.804 162.676 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.77 -53.3 2.66 Favored 'General case' 0 N--CA 1.48 1.046 2 C-N-CA 133.914 4.886 . . . . 0.0 113.638 -178.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . 0.282 39.6 m-80 . . . . . 0 C--O 1.251 1.15 0 CA-C-N 123.42 2.827 . . . . 0.0 112.899 -154.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.4 mtt . . . . . 0 N--CA 1.493 1.721 0 N-CA-C 115.342 1.608 . . . . 0.0 115.342 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.257 0.3 OUTLIER -88.19 146.64 5.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 1 C-N-CA 133.159 4.584 . . . . 0.0 116.176 167.328 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.366 0.3 OUTLIER -41.25 89.47 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.639 1 C-N-CA 133.503 4.721 . . . . 0.0 118.539 156.706 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -136.16 122.88 21.08 Favored 'General case' 0 CA--C 1.543 0.703 1 C-N-CA 132.465 4.306 . . . . 0.0 113.665 -169.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -109.56 161.51 15.28 Favored 'General case' 0 N--CA 1.48 1.072 1 C-N-CA 131.777 4.031 . . . . 0.0 117.697 162.081 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.493 2.2 mt-30 81.6 23.01 0.28 Allowed 'General case' 0 N--CA 1.491 1.576 1 C-N-CA 137.24 6.216 . . . . 0.0 119.46 -164.235 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.333 1.2 mm? -74.81 -2.52 27.03 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 116.565 -3.834 . . . . 0.0 118.247 -176.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -51.2 -13.7 0.2 Allowed 'General case' 0 N--CA 1.476 0.841 1 C-N-CA 134.61 5.164 . . . . 0.0 120.152 148.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.1 m -65.76 -14.0 60.48 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 129.02 2.928 . . . . 0.0 118.456 154.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.749 ' HA ' HG22 ' A' ' 13' ' ' THR 0.365 0.4 OUTLIER -71.5 -46.75 58.89 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 130.112 3.365 . . . . 0.0 115.786 151.015 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.25 -5.29 6.68 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 120.549 3.537 . . . . 0.0 120.549 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.498 ' O ' HD13 ' A' ' 16' ' ' ILE 0.461 0.7 OUTLIER -95.54 -60.7 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 2 CA-C-O 110.143 -4.741 . . . . 0.0 113.4 157.522 . . . . . . . . 5 4 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.749 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.546 0.4 OUTLIER -46.99 -57.58 4.85 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 130.747 3.619 . . . . 0.0 120.691 178.972 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.431 0.0 OUTLIER -55.03 -28.73 54.42 Favored 'General case' 0 N--CA 1.474 0.752 2 C-N-CA 140.826 7.65 . . . . 0.0 122.095 157.413 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -103.43 -24.75 7.7 Favored Glycine 0 CA--C 1.524 0.596 0 CA-C-O 114.131 -3.594 . . . . 0.0 117.869 -162.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.498 HD13 ' O ' ' A' ' 12' ' ' ILE 0.528 0.1 OUTLIER -61.07 -30.02 46.88 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 N-CA-C 117.605 2.446 . . . . 0.0 117.605 143.616 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.298 0.0 OUTLIER -78.57 -34.77 18.14 Favored 'Isoleucine or valine' 0 C--N 1.357 0.895 0 C-N-CA 131.076 3.75 . . . . 0.0 115.114 167.666 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.433 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.5 OUTLIER -65.6 -37.58 87.03 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-O 112.183 -3.77 . . . . 0.0 116.174 161.65 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.0 ttp -69.81 -25.57 63.84 Favored 'General case' 0 C--N 1.347 0.47 0 CA-C-O 112.84 -3.457 . . . . 0.0 114.422 175.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.482 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 1.9 p -83.94 -31.62 25.51 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 113.619 -3.086 . . . . 0.0 116.707 170.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.377 5.6 mt -72.85 -34.15 66.59 Favored 'General case' 0 N--CA 1.478 0.958 1 CA-C-O 110.438 -4.601 . . . . 0.0 117.161 162.391 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.433 HG22 ' O ' ' A' ' 18' ' ' MET 0.564 2.0 tp -67.3 -45.96 84.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 131.45 3.9 . . . . 0.0 118.231 173.307 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.278 85.4 t -75.54 -20.63 15.96 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 1 C-N-CA 134.265 5.026 . . . . 0.0 110.479 174.628 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.555 ' O ' HG13 ' A' ' 28' ' ' VAL 0.726 1.2 mp -83.05 -41.15 16.91 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 N-CA-C 120.437 3.495 . . . . 0.0 120.437 165.148 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.487 2.4 m-85 -59.67 -30.42 68.75 Favored 'General case' 0 N--CA 1.474 0.76 1 C-N-CA 134.252 5.021 . . . . 0.0 116.965 160.769 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -76.89 -4.76 45.42 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 120.715 3.598 . . . . 0.0 120.715 159.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . 0.309 . . -97.65 -38.88 9.35 Favored 'General case' 0 CA--C 1.534 0.359 1 CA-C-O 109.542 -5.027 . . . . 0.0 115.046 162.634 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.555 HG13 ' O ' ' A' ' 24' ' ' ILE 0.482 0.8 OUTLIER -85.8 -56.05 5.9 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 C-N-CA 129.671 3.188 . . . . 0.0 117.25 -176.926 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -63.22 -45.32 92.18 Favored 'General case' 0 N--CA 1.476 0.862 1 C-N-CA 134.571 5.148 . . . . 0.0 116.524 -179.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.5 t -55.28 156.56 4.16 Favored 'General case' 0 N--CA 1.476 0.868 2 C-N-CA 135.875 5.67 . . . . 0.0 122.056 152.213 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.461 4.3 t -56.19 78.36 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.794 1 C-N-CA 133.662 4.785 . . . . 0.0 118.743 178.26 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.69 178.94 4.79 Favored 'General case' 0 N--CA 1.476 0.854 1 C-N-CA 136.095 5.758 . . . . 0.0 112.987 174.117 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.69 112.37 4.43 Favored Pre-proline 0 N--CA 1.477 0.897 0 C-N-CA 131.236 3.814 . . . . 0.0 118.397 157.233 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . 0.434 3.3 Cg_exo -76.83 102.74 1.65 Allowed 'Trans proline' 0 C--N 1.368 1.592 1 N-CA-C 123.056 4.214 . . . . 0.0 123.056 173.732 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . 0.408 3.2 tptt -104.45 117.61 34.57 Favored 'General case' 0 N--CA 1.475 0.781 2 C-N-CA 134.7 5.2 . . . . 0.0 116.672 -168.144 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . 0.355 8.5 p30 . . . . . 0 C--O 1.251 1.175 0 N-CA-C 121.37 3.841 . . . . 0.0 121.37 163.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 0.331 5.4 mpp? . . . . . 0 N--CA 1.488 1.45 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.329 2.7 pp -135.14 114.63 17.2 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 1 C-N-CA 133.626 4.77 . . . . 0.0 110.476 -174.77 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.62 -58.84 0.77 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 129.755 3.222 . . . . 0.0 112.932 163.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.2 p30 -118.98 146.86 44.66 Favored 'General case' 0 N--CA 1.479 0.98 1 C-N-CA 134.082 4.953 . . . . 0.0 113.754 -172.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -75.76 102.12 5.32 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 129.282 3.033 . . . . 0.0 113.069 -172.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.285 0.4 OUTLIER -101.09 13.54 34.85 Favored 'General case' 0 CA--C 1.544 0.714 1 C-N-CA 132.543 4.337 . . . . 0.0 118.095 -177.251 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -70.92 10.0 0.6 Allowed 'General case' 0 CA--C 1.552 1.03 1 C-N-CA 133.232 4.613 . . . . 0.0 116.529 163.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -63.74 -22.0 66.69 Favored 'General case' 0 N--CA 1.479 1.014 1 C-N-CA 133.727 4.811 . . . . 0.0 118.011 147.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.2 m -68.21 -14.37 62.93 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 128.824 2.85 . . . . 0.0 117.644 162.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.736 ' HA ' HG22 ' A' ' 13' ' ' THR 0.349 0.9 OUTLIER -71.65 -48.08 50.1 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 112.106 -3.807 . . . . 0.0 116.303 148.672 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.69 -3.75 3.55 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 121.677 3.954 . . . . 0.0 121.677 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.464 ' O ' HD13 ' A' ' 16' ' ' ILE 0.438 1.0 OUTLIER -99.63 -61.36 2.36 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 2 CA-C-O 110.172 -4.728 . . . . 0.0 109.603 160.698 . . . . . . . . 5 4 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.736 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.568 0.4 OUTLIER -45.47 -59.29 2.79 Favored 'General case' 0 N--CA 1.48 1.067 1 C-N-CA 131.919 4.088 . . . . 0.0 120.406 -179.875 . . . . . . . . 5 4 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.453 0.0 OUTLIER -53.63 -32.69 52.3 Favored 'General case' 0 N--CA 1.473 0.679 2 C-N-CA 140.687 7.595 . . . . 0.0 122.16 159.174 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -101.1 -23.2 9.91 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 130.438 3.875 . . . . 0.0 119.214 -166.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.464 HD13 ' O ' ' A' ' 12' ' ' ILE 0.558 0.1 OUTLIER -63.79 -28.75 45.61 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 CA-C-O 114.7 -2.571 . . . . 0.0 117.658 143.179 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.305 0.0 OUTLIER -78.85 -32.27 15.57 Favored 'Isoleucine or valine' 0 C--N 1.358 0.968 0 C-N-CA 131.666 3.986 . . . . 0.0 114.565 166.29 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.438 ' O ' HG22 ' A' ' 22' ' ' ILE . 2.1 ttt -70.73 -36.38 73.15 Favored 'General case' 0 C--N 1.357 0.917 0 CA-C-O 112.913 -3.422 . . . . 0.0 114.886 164.096 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . 0.343 4.5 mtt -73.52 -20.59 60.62 Favored 'General case' 0 C--N 1.344 0.364 0 CA-C-O 113.666 -3.064 . . . . 0.0 117.288 175.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.493 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 3.1 p -81.25 -31.53 33.73 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 113.928 -2.939 . . . . 0.0 118.911 162.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.304 5.3 mt -78.7 -30.25 45.95 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 131.436 3.894 . . . . 0.0 117.041 165.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.438 HG22 ' O ' ' A' ' 18' ' ' MET 0.518 2.2 tp -68.41 -43.42 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 1 C-N-CA 131.709 4.004 . . . . 0.0 118.225 169.738 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.274 87.9 t -79.55 -17.57 12.94 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.681 1 C-N-CA 134.084 4.954 . . . . 0.0 110.107 173.981 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.554 ' O ' HG13 ' A' ' 28' ' ' VAL 0.716 1.1 mp -87.5 -36.62 9.92 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 N-CA-C 120.206 3.41 . . . . 0.0 120.206 165.203 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.509 2.8 m-85 -59.43 -35.44 74.02 Favored 'General case' 0 N--CA 1.478 0.966 1 C-N-CA 134.426 5.09 . . . . 0.0 115.987 160.367 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -71.02 -7.1 44.0 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 120.911 3.671 . . . . 0.0 120.911 162.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -104.05 -25.29 13.04 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 114.362 -2.733 . . . . 0.0 116.622 166.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.554 HG13 ' O ' ' A' ' 24' ' ' ILE 0.504 0.7 OUTLIER -93.81 -58.6 3.57 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 C-N-CA 129.938 3.295 . . . . 0.0 116.147 179.68 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.73 -29.96 20.56 Favored 'General case' 0 CA--C 1.547 0.84 1 C-N-CA 134.723 5.209 . . . . 0.0 119.239 168.087 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.75 176.51 3.56 Favored 'General case' 0 N--CA 1.477 0.923 1 C-N-CA 135.363 5.465 . . . . 0.0 120.275 160.816 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.324 71.6 m -74.01 85.08 1.78 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 131.665 3.986 . . . . 0.0 112.338 -173.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 3.4 mtt -142.81 164.95 28.7 Favored 'General case' 0 N--CA 1.476 0.833 1 C-N-CA 135.155 5.382 . . . . 0.0 112.758 179.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.6 m -81.23 107.16 7.06 Favored Pre-proline 0 N--CA 1.475 0.782 0 N-CA-C 118.949 2.944 . . . . 0.0 118.949 146.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -79.83 144.65 17.36 Favored 'Trans proline' 0 C--N 1.366 1.464 2 C-N-CA 127.101 5.2 . . . . 0.0 124.505 154.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.17 -52.03 4.74 Favored 'General case' 0 N--CA 1.483 1.193 1 C-N-CA 135.991 5.716 . . . . 0.0 114.375 173.584 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . 0.439 2.6 m-80 . . . . . 0 C--O 1.253 1.238 0 CA-C-N 122.213 2.279 . . . . 0.0 110.185 -164.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.405 1.7 pp -125.13 120.77 59.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 131.151 3.781 . . . . 0.0 114.063 172.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.72 160.21 30.31 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 130.914 3.685 . . . . 0.0 117.073 165.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -66.85 90.87 0.18 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 130.575 3.55 . . . . 0.0 116.149 152.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -151.77 149.86 29.51 Favored 'General case' 0 N--CA 1.475 0.824 1 C-N-CA 134.683 5.193 . . . . 0.0 113.969 178.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.267 0.4 OUTLIER -44.48 -17.32 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.908 2 C-N-CA 134.091 4.956 . . . . 0.0 123.088 156.589 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -51.61 -0.95 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.828 1 C-N-CA 133.915 4.886 . . . . 0.0 120.083 173.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -47.3 -17.53 0.08 Allowed 'General case' 0 N--CA 1.476 0.864 1 C-N-CA 134.298 5.039 . . . . 0.0 118.885 143.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.425 0.3 OUTLIER -67.73 -0.92 4.51 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 119.676 3.213 . . . . 0.0 119.676 155.093 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.775 ' HA ' HG22 ' A' ' 13' ' ' THR 0.335 0.2 OUTLIER -76.41 -45.62 30.8 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 130.489 3.515 . . . . 0.0 116.389 143.513 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.65 -2.86 10.06 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 120.271 3.434 . . . . 0.0 120.271 -178.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.451 ' O ' HD13 ' A' ' 16' ' ' ILE 0.54 0.2 OUTLIER -88.64 -60.69 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 1 CA-C-O 109.483 -5.056 . . . . 0.0 115.971 146.568 . . . . . . . . 5 4 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.775 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.553 0.3 OUTLIER -45.33 -59.89 2.43 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 130.486 3.514 . . . . 0.0 120.425 -178.153 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.432 0.0 OUTLIER -53.51 -30.36 41.02 Favored 'General case' 0 N--CA 1.473 0.679 2 C-N-CA 140.565 7.546 . . . . 0.0 122.187 157.443 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -98.31 -27.36 8.73 Favored Glycine 0 CA--C 1.522 0.531 0 CA-C-O 113.503 -3.943 . . . . 0.0 118.003 -165.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.451 HD13 ' O ' ' A' ' 12' ' ' ILE 0.529 0.1 OUTLIER -63.1 -31.25 51.95 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.883 0 CA-C-O 115.048 -2.406 . . . . 0.0 117.019 147.954 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.294 0.0 OUTLIER -75.02 -33.73 30.13 Favored 'Isoleucine or valine' 0 C--N 1.359 0.988 0 C-N-CA 131.664 3.986 . . . . 0.0 114.958 166.126 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.458 ' O ' HG22 ' A' ' 22' ' ' ILE . 2.4 tmm? -75.4 -33.66 61.0 Favored 'General case' 0 C--N 1.354 0.771 1 CA-C-O 111.686 -4.007 . . . . 0.0 115.545 167.699 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 13.4 mmt -66.2 -27.2 67.81 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-O 113.718 -3.039 . . . . 0.0 116.829 166.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.506 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 3.0 p -81.53 -31.74 32.63 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 113.369 -3.205 . . . . 0.0 117.443 169.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.309 5.5 mt -75.76 -28.33 58.42 Favored 'General case' 0 N--CA 1.475 0.806 1 C-N-CA 131.894 4.077 . . . . 0.0 116.987 164.623 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.458 HG22 ' O ' ' A' ' 18' ' ' MET 0.512 2.0 tp -71.87 -45.6 64.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 130.329 3.452 . . . . 0.0 117.252 171.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.269 90.7 t -74.71 -19.09 16.62 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 1 C-N-CA 133.478 4.711 . . . . 0.0 110.144 173.751 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.538 ' O ' HG13 ' A' ' 28' ' ' VAL 0.735 1.1 mp -84.29 -39.76 14.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 N-CA-C 120.862 3.652 . . . . 0.0 120.862 165.756 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.478 2.7 m-85 -61.59 -27.5 68.68 Favored 'General case' 0 N--CA 1.476 0.867 1 C-N-CA 134.43 5.092 . . . . 0.0 117.197 161.864 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -74.93 -13.03 60.48 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 120.707 3.595 . . . . 0.0 120.707 159.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.21 -18.55 17.57 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 127.733 2.413 . . . . 0.0 117.07 168.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.538 HG13 ' O ' ' A' ' 24' ' ' ILE 0.461 0.9 OUTLIER -100.35 -56.25 5.35 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 130.269 3.427 . . . . 0.0 115.341 179.452 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -79.06 -58.37 3.27 Favored 'General case' 0 CA--C 1.542 0.666 1 C-N-CA 134.053 4.941 . . . . 0.0 114.514 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.88 150.27 32.23 Favored 'General case' 0 N--CA 1.475 0.783 1 C-N-CA 133.091 4.556 . . . . 0.0 119.542 161.131 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.426 3.8 t -53.6 94.54 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.691 1 C-N-CA 133.685 4.794 . . . . 0.0 118.917 -178.204 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.402 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -119.12 129.51 55.08 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 109.596 -3.457 . . . . 0.0 113.923 162.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.6 m -92.98 96.65 1.45 Allowed Pre-proline 0 CA--C 1.547 0.86 0 CA-C-N 110.778 -2.919 . . . . 0.0 113.325 145.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.402 ' HD3' ' HB3' ' A' ' 32' ' ' MET 0.449 9.9 Cg_endo -82.04 -24.77 3.76 Favored 'Trans proline' 0 C--N 1.368 1.557 1 N-CA-C 124.691 4.843 . . . . 0.0 124.691 167.314 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -78.04 -43.66 28.69 Favored 'General case' 0 N--CA 1.479 0.988 1 C-N-CA 132.079 4.152 . . . . 0.0 112.325 162.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 t30 . . . . . 0 C--O 1.255 1.37 0 CA-C-N 122.348 2.34 . . . . 0.0 111.754 -177.47 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 ttt . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 121.225 0.536 . . . . 0.0 112.009 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.34 0.0 OUTLIER -118.4 112.76 39.54 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 1 C-N-CA 131.934 4.094 . . . . 0.0 113.102 174.226 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.09 152.97 43.66 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 130.144 3.378 . . . . 0.0 118.367 168.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.76 96.46 5.6 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 130.922 3.689 . . . . 0.0 112.879 163.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -151.58 145.36 25.07 Favored 'General case' 0 N--CA 1.478 0.933 1 C-N-CA 134.465 5.106 . . . . 0.0 113.7 -177.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.258 2.6 pt20 -49.4 -10.38 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.069 2 C-N-CA 134.809 5.243 . . . . 0.0 122.545 158.622 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -59.34 6.23 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.946 1 C-N-CA 134.414 5.086 . . . . 0.0 118.764 172.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -54.79 -25.32 27.38 Favored 'General case' 0 N--CA 1.475 0.788 1 C-N-CA 133.144 4.578 . . . . 0.0 118.912 145.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.4 m -67.47 -22.04 65.49 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 129.567 3.147 . . . . 0.0 117.998 161.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.785 ' HA ' HG22 ' A' ' 13' ' ' THR 0.334 1.3 tt -72.97 -46.72 50.71 Favored 'General case' 0 C--N 1.345 0.375 0 CA-C-O 112.419 -3.657 . . . . 0.0 115.518 152.132 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.39 -8.35 5.9 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 121.224 3.786 . . . . 0.0 121.224 178.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.483 ' O ' HD13 ' A' ' 16' ' ' ILE 0.487 0.9 OUTLIER -94.38 -58.69 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 2 CA-C-O 110.18 -4.724 . . . . 0.0 112.943 158.868 . . . . . . . . 5 4 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.785 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.563 0.4 OUTLIER -46.43 -60.23 2.47 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 131.347 3.859 . . . . 0.0 119.766 178.126 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.434 0.0 OUTLIER -53.63 -30.23 41.85 Favored 'General case' 0 N--CA 1.472 0.658 2 C-N-CA 140.173 7.389 . . . . 0.0 122.781 157.471 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -102.38 -22.19 9.99 Favored Glycine 0 CA--C 1.525 0.685 0 CA-C-O 113.7 -3.834 . . . . 0.0 118.83 -165.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.483 HD13 ' O ' ' A' ' 12' ' ' ILE 0.549 0.1 OUTLIER -62.24 -31.73 52.49 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-O 114.749 -2.548 . . . . 0.0 117.848 142.822 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.291 0.0 OUTLIER -75.99 -33.45 25.05 Favored 'Isoleucine or valine' 0 C--N 1.357 0.932 0 C-N-CA 131.176 3.79 . . . . 0.0 115.686 167.243 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.483 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -75.46 -33.96 60.89 Favored 'General case' 0 C--N 1.355 0.817 1 CA-C-O 111.66 -4.019 . . . . 0.0 115.487 165.99 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 8.5 mmm -65.82 -24.78 66.98 Favored 'General case' 0 C--N 1.347 0.496 0 CA-C-O 113.285 -3.245 . . . . 0.0 117.341 167.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.524 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 4.3 p -83.25 -34.69 25.76 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 112.83 -3.462 . . . . 0.0 117.218 169.009 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.329 6.4 mt -73.27 -29.59 62.84 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 131.406 3.882 . . . . 0.0 117.239 164.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.483 HG22 ' O ' ' A' ' 18' ' ' MET 0.534 1.7 tp -68.52 -47.04 79.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 130.63 3.572 . . . . 0.0 117.695 170.721 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.262 87.6 t -76.09 -17.11 15.31 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 1 C-N-CA 134.164 4.985 . . . . 0.0 110.581 174.113 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.524 ' HB ' ' O ' ' A' ' 20' ' ' THR 0.723 1.1 mp -87.85 -36.94 10.12 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 N-CA-C 120.455 3.502 . . . . 0.0 120.455 165.135 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.504 2.5 m-85 -59.56 -31.56 69.55 Favored 'General case' 0 N--CA 1.477 0.902 1 C-N-CA 134.161 4.984 . . . . 0.0 115.592 161.433 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -74.07 -10.68 59.88 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 130.34 3.456 . . . . 0.0 120.24 163.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -101.24 -16.4 16.99 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 127.511 2.325 . . . . 0.0 116.504 167.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.505 HG13 ' O ' ' A' ' 24' ' ' ILE 0.51 0.6 OUTLIER -104.7 -59.35 3.43 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 C-N-CA 130.545 3.538 . . . . 0.0 116.137 179.529 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -70.54 -49.73 45.06 Favored 'General case' 0 N--CA 1.475 0.805 1 C-N-CA 134.491 5.117 . . . . 0.0 116.725 -173.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.8 t -53.49 171.68 0.08 Allowed 'General case' 0 N--CA 1.476 0.825 1 C-N-CA 134.277 5.031 . . . . 0.0 119.896 147.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.8 m -61.17 103.76 0.32 Allowed 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 130.958 3.703 . . . . 0.0 112.115 170.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . 0.274 0.0 OUTLIER -57.03 137.25 55.97 Favored 'General case' 0 CA--C 1.537 0.45 2 C-N-CA 133.227 4.611 . . . . 0.0 116.258 169.034 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . 0.307 51.0 m -103.51 86.59 1.17 Allowed Pre-proline 0 CA--C 1.542 0.651 0 C-N-CA 126.509 1.924 . . . . 0.0 112.827 169.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . 0.371 5.6 Cg_endo -82.64 -22.02 4.76 Favored 'Trans proline' 0 C--N 1.366 1.5 0 N-CA-C 121.827 3.741 . . . . 0.0 121.827 164.243 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.76 96.98 4.37 Favored 'General case' 0 N--CA 1.474 0.74 1 C-N-CA 132.327 4.251 . . . . 0.0 111.395 151.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.3 t30 . . . . . 0 C--O 1.251 1.161 0 CA-C-N 110.368 -3.105 . . . . 0.0 109.961 147.981 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 113.886 -2.959 . . . . 0.0 114.305 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.252 0.3 OUTLIER -130.09 141.36 46.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 1 C-N-CA 132.687 4.395 . . . . 0.0 109.558 -173.032 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 t -79.67 -35.7 38.8 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 130.593 3.557 . . . . 0.0 116.369 173.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -100.2 127.15 46.53 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 130.91 3.684 . . . . 0.0 114.879 174.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.435 1.0 OUTLIER -86.91 101.92 13.85 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 129.46 3.104 . . . . 0.0 116.799 -169.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.379 0.3 OUTLIER -99.28 -10.03 22.88 Favored 'General case' 0 N--CA 1.475 0.8 1 C-N-CA 133.273 4.629 . . . . 0.0 117.863 -177.018 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -67.25 5.69 0.69 Allowed 'General case' 0 CA--C 1.552 1.029 1 C-N-CA 133.23 4.612 . . . . 0.0 118.668 178.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -52.98 -16.46 1.06 Allowed 'General case' 0 N--CA 1.476 0.867 1 C-N-CA 134.616 5.166 . . . . 0.0 119.707 142.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.0 m -73.65 -12.94 60.9 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 130.686 3.594 . . . . 0.0 117.106 162.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.738 ' HA ' HG22 ' A' ' 13' ' ' THR 0.347 0.7 OUTLIER -72.99 -44.71 60.74 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 131.313 3.845 . . . . 0.0 116.569 146.487 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.74 -3.74 10.24 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 120.531 3.53 . . . . 0.0 120.531 178.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.49 ' O ' HD13 ' A' ' 16' ' ' ILE 0.514 0.2 OUTLIER -92.36 -56.81 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 1 CA-C-O 109.726 -4.94 . . . . 0.0 116.151 148.223 . . . . . . . . 5 4 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.738 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.561 0.4 OUTLIER -48.84 -59.71 3.35 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 120.372 3.471 . . . . 0.0 120.372 -177.728 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.422 0.0 OUTLIER -51.63 -29.0 16.01 Favored 'General case' 0 N--CA 1.472 0.666 2 C-N-CA 140.441 7.496 . . . . 0.0 122.408 155.138 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -101.83 -23.87 9.02 Favored Glycine 0 CA--C 1.522 0.518 1 CA-C-O 112.899 -4.278 . . . . 0.0 117.964 -163.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.49 HD13 ' O ' ' A' ' 12' ' ' ILE 0.547 0.1 OUTLIER -63.11 -30.85 50.69 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 N-CA-C 117.968 2.581 . . . . 0.0 117.968 144.923 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.276 0.0 OUTLIER -77.56 -37.25 24.35 Favored 'Isoleucine or valine' 0 C--N 1.358 0.971 0 C-N-CA 131.394 3.878 . . . . 0.0 115.271 169.328 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.458 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -68.53 -32.0 71.63 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-O 112.412 -3.661 . . . . 0.0 118.37 161.277 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 28.0 mtt -73.52 -22.03 60.22 Favored 'General case' 0 C--N 1.344 0.353 0 CA-C-O 114.086 -2.864 . . . . 0.0 117.253 170.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.462 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 4.7 p -82.98 -30.55 28.14 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 114.183 -2.818 . . . . 0.0 118.442 163.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.288 4.5 mt -78.19 -28.35 48.11 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 131.577 3.951 . . . . 0.0 116.744 166.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.458 HG22 ' O ' ' A' ' 18' ' ' MET 0.49 1.8 tp -70.05 -44.04 78.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 131.408 3.883 . . . . 0.0 117.806 170.096 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.268 98.7 t -77.52 -17.05 14.28 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 1 C-N-CA 133.62 4.768 . . . . 0.0 110.696 173.67 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.52 ' O ' HG13 ' A' ' 28' ' ' VAL 0.724 1.2 mp -87.88 -36.61 9.69 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 N-CA-C 120.173 3.397 . . . . 0.0 120.173 165.648 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.479 3.2 m-30 -63.57 -28.34 69.87 Favored 'General case' 0 N--CA 1.478 0.949 1 C-N-CA 134.211 5.005 . . . . 0.0 116.483 163.01 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -73.62 -13.07 60.94 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 120.621 3.563 . . . . 0.0 120.621 160.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.82 -17.3 17.73 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 128.198 2.599 . . . . 0.0 116.996 170.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.52 HG13 ' O ' ' A' ' 24' ' ' ILE 0.477 0.8 OUTLIER -101.97 -55.87 5.59 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 C-N-CA 130.205 3.402 . . . . 0.0 115.525 178.453 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -83.68 -53.21 5.81 Favored 'General case' 0 CA--C 1.544 0.732 1 C-N-CA 134.249 5.02 . . . . 0.0 114.773 -175.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 m -82.01 151.98 26.89 Favored 'General case' 0 N--CA 1.475 0.804 1 C-N-CA 133.0 4.52 . . . . 0.0 119.514 158.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.437 1.0 OUTLIER -60.49 109.93 1.14 Allowed 'General case' 0 N--CA 1.474 0.757 1 C-N-CA 133.295 4.638 . . . . 0.0 120.309 177.135 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -111.68 163.93 13.59 Favored 'General case' 0 N--CA 1.475 0.818 1 C-N-CA 131.757 4.023 . . . . 0.0 116.984 168.131 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . 0.294 1.1 p -84.2 95.1 0.31 Allowed Pre-proline 0 CA--C 1.545 0.772 0 C-N-CA 129.072 2.949 . . . . 0.0 115.336 151.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . 0.488 9.5 Cg_endo -85.03 88.9 0.88 Allowed 'Trans proline' 0 C--N 1.369 1.617 0 N-CA-C 122.095 3.844 . . . . 0.0 122.095 164.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . 0.44 0.0 OUTLIER -114.66 -26.95 7.65 Favored 'General case' 0 CA--C 1.543 0.677 2 CA-C-N 105.93 -5.123 . . . . 0.0 116.754 -171.454 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 . . . . . 0 C--O 1.249 1.067 0 C-N-CA 129.018 2.927 . . . . 0.0 114.841 -161.169 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 114.703 -2.57 . . . . 0.0 115.391 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.387 5.6 tt -161.84 130.62 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 130.676 3.59 . . . . 0.0 108.96 -150.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.364 1.0 OUTLIER -76.49 38.44 0.19 Allowed 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 131.114 3.765 . . . . 0.0 116.949 171.037 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -127.77 162.6 26.25 Favored 'General case' 0 N--CA 1.48 1.031 1 C-N-CA 136.526 5.93 . . . . 0.0 113.887 -172.416 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -79.05 108.85 12.84 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 131.274 3.83 . . . . 0.0 113.61 161.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.321 0.6 OUTLIER -108.95 18.78 20.31 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 131.452 3.901 . . . . 0.0 118.174 176.324 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -72.19 9.41 0.99 Allowed 'General case' 0 CA--C 1.551 1.008 1 C-N-CA 132.605 4.362 . . . . 0.0 116.951 167.345 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -63.32 -22.67 67.02 Favored 'General case' 0 N--CA 1.477 0.897 1 C-N-CA 134.022 4.929 . . . . 0.0 117.767 150.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.7 m -70.15 -15.11 62.91 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 129.34 3.056 . . . . 0.0 117.616 163.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.794 ' HA ' HG22 ' A' ' 13' ' ' THR 0.29 0.6 OUTLIER -74.81 -41.51 59.82 Favored 'General case' 0 C--N 1.345 0.377 0 C-N-CA 130.396 3.478 . . . . 0.0 115.872 149.897 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.04 -4.25 27.66 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 119.716 3.228 . . . . 0.0 119.716 -178.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.518 ' O ' HD13 ' A' ' 16' ' ' ILE 0.512 0.2 OUTLIER -90.49 -56.27 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 1 CA-C-O 110.353 -4.641 . . . . 0.0 116.479 148.588 . . . . . . . . 5 4 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.794 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.537 0.4 OUTLIER -51.37 -58.54 5.96 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 129.872 3.269 . . . . 0.0 119.647 -176.187 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.446 0.0 OUTLIER -51.31 -31.8 22.9 Favored 'General case' 0 N--CA 1.473 0.718 2 C-N-CA 140.386 7.474 . . . . 0.0 122.496 154.077 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -95.61 -25.45 13.53 Favored Glycine 0 C--N 1.336 0.549 0 CA-C-O 113.66 -3.856 . . . . 0.0 119.21 -167.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.518 HD13 ' O ' ' A' ' 12' ' ' ILE 0.556 0.1 OUTLIER -62.3 -29.74 47.36 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.849 0 N-CA-C 118.062 2.615 . . . . 0.0 118.062 145.846 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.28 0.0 OUTLIER -78.2 -37.42 22.33 Favored 'Isoleucine or valine' 0 C--N 1.358 0.962 0 C-N-CA 131.577 3.951 . . . . 0.0 114.942 168.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.427 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -63.99 -37.6 88.0 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 112.858 -3.448 . . . . 0.0 117.12 160.26 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 5.8 mtp -69.76 -22.65 63.34 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-O 113.113 -3.327 . . . . 0.0 117.147 173.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.499 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 2.0 p -84.02 -31.38 25.47 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 113.774 -3.012 . . . . 0.0 118.129 164.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.293 4.6 mt -78.79 -24.55 44.54 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 131.431 3.893 . . . . 0.0 116.834 166.439 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.427 HG22 ' O ' ' A' ' 18' ' ' MET 0.484 2.6 tp -74.51 -44.62 47.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 131.012 3.725 . . . . 0.0 118.09 170.622 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.267 86.2 t -75.35 -16.74 15.85 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.716 1 C-N-CA 133.685 4.794 . . . . 0.0 110.672 170.788 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.503 ' O ' HG13 ' A' ' 28' ' ' VAL 0.724 1.2 mp -88.33 -34.66 7.26 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 N-CA-C 120.026 3.343 . . . . 0.0 120.026 164.544 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.538 3.0 m-30 -64.74 -30.67 71.68 Favored 'General case' 0 N--CA 1.474 0.734 1 C-N-CA 133.356 4.662 . . . . 0.0 116.847 164.669 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -72.2 -14.11 61.71 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 120.339 3.459 . . . . 0.0 120.339 161.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.51 -15.6 18.61 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 127.81 2.444 . . . . 0.0 116.549 171.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.503 HG13 ' O ' ' A' ' 24' ' ' ILE 0.449 1.0 OUTLIER -104.07 -56.56 5.01 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 C-N-CA 131.16 3.784 . . . . 0.0 115.522 179.142 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.71 -47.96 14.45 Favored 'General case' 0 CA--C 1.546 0.804 1 C-N-CA 134.656 5.182 . . . . 0.0 116.245 -178.57 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.4 m -93.42 170.43 9.62 Favored 'General case' 0 N--CA 1.477 0.91 1 C-N-CA 132.783 4.433 . . . . 0.0 118.658 158.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.441 0.8 OUTLIER -63.95 123.13 18.18 Favored 'General case' 0 N--CA 1.476 0.834 1 C-N-CA 132.143 4.177 . . . . 0.0 120.323 161.817 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 3.2 ptt? -102.05 167.38 10.06 Favored 'General case' 0 N--CA 1.477 0.905 1 C-N-CA 133.098 4.559 . . . . 0.0 117.837 167.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . 0.259 12.0 p -50.51 119.65 11.44 Favored Pre-proline 0 N--CA 1.477 0.914 0 C-N-CA 131.307 3.843 . . . . 0.0 119.441 152.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . 0.384 11.4 Cg_endo -69.74 -34.22 15.07 Favored 'Trans proline' 0 C--N 1.37 1.671 1 N-CA-C 122.726 4.087 . . . . 0.0 122.726 -175.917 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -79.57 102.12 8.68 Favored 'General case' 0 N--CA 1.474 0.766 1 C-N-CA 132.804 4.442 . . . . 0.0 111.974 157.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . 0.281 12.2 p-10 . . . . . 0 C--O 1.251 1.152 0 CA-C-N 109.001 -3.727 . . . . 0.0 118.537 158.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 0.432 13.9 ptt? . . . . . 0 N--CA 1.488 1.453 0 CA-C-O 116.508 -1.711 . . . . 0.0 113.741 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.297 2.7 pp -142.57 144.57 24.41 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.936 1 C-N-CA 132.761 4.424 . . . . 0.0 110.519 -154.513 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.503 68.0 m 66.6 172.5 0.25 Allowed 'General case' 0 N--CA 1.484 1.24 1 C-N-CA 135.785 5.634 . . . . 0.0 121.184 -173.868 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . 0.257 10.5 m-20 -89.07 92.68 9.31 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 129.119 2.967 . . . . 0.0 113.167 175.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -157.31 137.86 13.03 Favored 'General case' 0 N--CA 1.478 0.964 1 C-N-CA 134.466 5.106 . . . . 0.0 113.964 -167.253 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.268 0.0 OUTLIER -68.36 7.96 0.53 Allowed 'General case' 0 N--CA 1.48 1.047 1 C-N-CA 133.568 4.747 . . . . 0.0 121.127 163.817 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.25 3.0 mm? -56.81 0.45 0.04 OUTLIER 'General case' 0 CA--C 1.549 0.939 1 C-N-CA 132.88 4.472 . . . . 0.0 118.276 164.357 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -56.88 -23.65 46.18 Favored 'General case' 0 N--CA 1.477 0.915 1 C-N-CA 134.216 5.006 . . . . 0.0 118.374 156.26 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.5 m -59.12 -23.55 62.23 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 120.284 3.439 . . . . 0.0 120.284 156.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.747 ' HA ' HG22 ' A' ' 13' ' ' THR 0.337 0.7 OUTLIER -75.09 -43.65 51.8 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 130.376 3.47 . . . . 0.0 115.52 154.264 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.87 -8.23 20.89 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 120.365 3.469 . . . . 0.0 120.365 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.467 ' O ' HD13 ' A' ' 16' ' ' ILE 0.459 0.9 OUTLIER -91.26 -60.68 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 2 CA-C-O 110.887 -4.387 . . . . 0.0 113.729 154.354 . . . . . . . . 5 4 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.747 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.553 0.3 OUTLIER -46.31 -59.96 2.61 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 130.74 3.616 . . . . 0.0 120.381 -178.604 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.411 0.0 OUTLIER -52.51 -32.74 41.79 Favored 'General case' 0 N--CA 1.471 0.61 2 C-N-CA 140.847 7.659 . . . . 0.0 122.03 156.614 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.521 ' HA2' ' HB3' ' A' ' 18' ' ' MET . . . -96.85 -23.29 15.73 Favored Glycine 0 CA--C 1.523 0.559 0 C-N-CA 130.649 3.976 . . . . 0.0 119.34 -167.26 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.467 HD13 ' O ' ' A' ' 12' ' ' ILE 0.523 0.1 OUTLIER -63.95 -32.58 57.73 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.87 0 CA-C-O 114.963 -2.446 . . . . 0.0 117.437 144.767 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.299 0.0 OUTLIER -72.89 -38.03 55.78 Favored 'Isoleucine or valine' 0 C--N 1.359 0.981 0 C-N-CA 131.408 3.883 . . . . 0.0 114.455 166.264 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.521 ' HB3' ' HA2' ' A' ' 15' ' ' GLY 0.254 0.8 OUTLIER -66.7 -38.57 87.0 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-O 112.006 -3.854 . . . . 0.0 116.248 164.155 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.34 -25.61 68.38 Favored 'General case' 0 C--N 1.343 0.325 0 CA-C-O 112.569 -3.586 . . . . 0.0 118.574 168.386 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.494 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 1.2 p -84.35 -33.41 23.86 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 114.058 -2.877 . . . . 0.0 116.546 169.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.257 10.5 mp -77.72 -30.95 51.96 Favored 'General case' 0 CA--C 1.546 0.813 1 CA-C-O 111.3 -4.19 . . . . 0.0 115.382 171.565 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.465 HG22 ' O ' ' A' ' 18' ' ' MET 0.536 2.5 tp -65.64 -50.02 74.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 1 C-N-CA 132.135 4.174 . . . . 0.0 118.765 168.254 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.254 84.8 t -72.78 -18.05 18.46 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 1 C-N-CA 133.789 4.836 . . . . 0.0 110.629 175.258 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.505 ' O ' HG13 ' A' ' 28' ' ' VAL 0.69 1.2 mp -86.29 -40.36 14.26 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 C-N-CA 129.765 3.226 . . . . 0.0 118.999 165.104 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.549 3.2 m-85 -55.91 -31.69 63.1 Favored 'General case' 0 N--CA 1.474 0.758 2 C-N-CA 133.763 4.825 . . . . 0.0 116.543 161.599 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -71.44 -19.18 62.27 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 120.828 3.64 . . . . 0.0 120.828 163.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -102.94 -14.05 16.67 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 129.695 3.198 . . . . 0.0 116.32 175.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.505 HG13 ' O ' ' A' ' 24' ' ' ILE 0.47 0.7 OUTLIER -100.71 -64.04 1.58 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 C-N-CA 130.604 3.561 . . . . 0.0 113.82 172.368 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.23 -1.95 0.39 Allowed 'General case' 0 CA--C 1.548 0.881 1 C-N-CA 134.521 5.129 . . . . 0.0 120.886 162.07 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.5 t -29.61 149.25 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.809 1 C-N-CA 134.59 5.156 . . . . 0.0 121.628 147.063 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.408 28.6 m -82.03 93.1 6.91 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 128.734 2.813 . . . . 0.0 110.341 -172.345 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -167.41 161.14 13.86 Favored 'General case' 0 N--CA 1.476 0.842 2 C-N-CA 137.319 6.248 . . . . 0.0 112.304 -148.263 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 m -39.31 126.31 1.35 Allowed Pre-proline 0 N--CA 1.481 1.113 2 N-CA-C 123.246 4.535 . . . . 0.0 123.246 163.011 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . 0.317 5.9 Cg_exo -73.21 120.05 6.35 Favored 'Trans proline' 0 C--N 1.366 1.467 2 C-N-CA 126.228 4.619 . . . . 0.0 123.619 173.519 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . 0.474 0.3 OUTLIER -92.43 -41.35 10.36 Favored 'General case' 0 N--CA 1.472 0.65 1 C-N-CA 133.231 4.612 . . . . 0.0 118.451 179.8 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . 0.341 1.2 t-20 . . . . . 0 C--O 1.254 1.318 0 C-N-CA 129.34 3.056 . . . . 0.0 105.147 -168.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 114.066 1.136 . . . . 0.0 114.066 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.329 0.2 OUTLIER -112.98 154.26 14.42 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 C-N-CA 130.458 3.503 . . . . 0.0 114.412 168.64 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.73 138.02 29.97 Favored 'General case' 0 N--CA 1.473 0.719 1 C-N-CA 132.948 4.499 . . . . 0.0 121.554 161.358 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . 0.398 2.7 p-10 -88.64 73.52 8.56 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 130.277 3.431 . . . . 0.0 115.063 -167.289 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -138.55 135.81 35.41 Favored 'General case' 0 N--CA 1.474 0.769 1 C-N-CA 134.699 5.2 . . . . 0.0 111.934 -176.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.67 0.0 OUTLIER 67.53 19.41 9.93 Favored 'General case' 0 N--CA 1.48 1.049 1 C-N-CA 136.134 5.774 . . . . 0.0 120.423 -171.754 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.311 1.6 mm? -64.56 -4.47 4.12 Favored 'General case' 0 CA--C 1.547 0.851 1 C-N-CA 132.114 4.166 . . . . 0.0 118.863 177.015 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -54.19 -9.24 0.25 Allowed 'General case' 0 N--CA 1.478 0.937 1 C-N-CA 134.474 5.11 . . . . 0.0 118.326 149.49 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.264 3.4 p -59.36 -10.19 2.93 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 130.915 3.686 . . . . 0.0 120.943 150.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.715 ' HA ' HG22 ' A' ' 13' ' ' THR 0.353 0.5 OUTLIER -70.65 -46.97 62.26 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 130.891 3.676 . . . . 0.0 116.663 152.176 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.09 -3.38 3.61 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 120.006 3.336 . . . . 0.0 120.006 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.484 0.3 OUTLIER -100.31 -51.9 9.25 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 C-N-CA 129.93 3.292 . . . . 0.0 114.159 157.603 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.715 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.567 0.3 OUTLIER -52.58 -62.12 1.85 Allowed 'General case' 0 N--CA 1.481 1.117 1 C-N-CA 132.168 4.187 . . . . 0.0 119.196 178.811 . . . . . . . . 5 4 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.381 0.0 OUTLIER -49.54 -30.05 7.89 Favored 'General case' 0 N--CA 1.471 0.602 1 C-N-CA 139.454 7.101 . . . . 0.0 121.04 151.254 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -92.14 -33.99 7.41 Favored Glycine 0 C--N 1.334 0.429 0 C-N-CA 128.768 3.08 . . . . 0.0 117.459 -165.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . 0.602 1.0 OUTLIER -59.31 -33.01 49.7 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 CA-C-O 112.862 -3.447 . . . . 0.0 117.666 152.421 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -78.26 -38.78 23.77 Favored 'Isoleucine or valine' 0 C--N 1.358 0.96 1 C-N-CA 132.133 4.173 . . . . 0.0 114.448 171.168 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.475 ' O ' HG22 ' A' ' 22' ' ' ILE . 2.3 mtt -69.98 -27.33 64.63 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-O 112.43 -3.652 . . . . 0.0 118.831 160.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . 0.252 1.6 tpt -73.43 -32.0 64.14 Favored 'General case' 0 C--N 1.347 0.482 0 CA-C-O 113.214 -3.279 . . . . 0.0 115.735 167.236 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.582 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 14.7 p -81.49 -33.36 31.96 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 112.271 -3.728 . . . . 0.0 115.371 178.482 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.414 12.1 mt -65.3 -37.91 88.6 Favored 'General case' 0 N--CA 1.475 0.806 1 CA-C-O 109.52 -5.038 . . . . 0.0 118.393 153.933 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.475 HG22 ' O ' ' A' ' 18' ' ' MET 0.578 1.9 tp -67.79 -43.55 86.22 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 CA-C-N 125.282 3.674 . . . . 0.0 119.101 174.032 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 89.7 t -78.79 -19.73 13.06 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 1 C-N-CA 134.144 4.978 . . . . 0.0 109.639 175.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.582 ' HB ' ' O ' ' A' ' 20' ' ' THR 0.777 1.1 mp -83.87 -41.01 16.23 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 N-CA-C 120.421 3.489 . . . . 0.0 120.421 164.244 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.502 2.4 m-85 -58.24 -25.14 61.35 Favored 'General case' 0 N--CA 1.477 0.901 1 C-N-CA 133.737 4.815 . . . . 0.0 117.738 161.277 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -77.11 -15.18 59.66 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 130.771 3.629 . . . . 0.0 119.684 160.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.06 -15.53 20.96 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 117.916 2.562 . . . . 0.0 117.916 171.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.515 HG13 ' O ' ' A' ' 24' ' ' ILE 0.436 0.8 OUTLIER -103.69 -55.13 6.01 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 1 C-N-CA 131.96 4.104 . . . . 0.0 114.974 178.78 . . . . . . . . 5 4 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -83.86 -56.43 3.7 Favored 'General case' 0 CA--C 1.544 0.722 1 C-N-CA 133.427 4.691 . . . . 0.0 114.662 -175.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.4 m -73.97 150.44 40.75 Favored 'General case' 0 N--CA 1.477 0.893 1 C-N-CA 132.75 4.42 . . . . 0.0 119.363 154.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.327 33.7 m -81.77 86.63 6.42 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 130.944 3.698 . . . . 0.0 113.357 -173.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.3 mmt -132.57 168.01 19.01 Favored 'General case' 0 N--CA 1.475 0.814 1 C-N-CA 136.268 5.827 . . . . 0.0 112.567 169.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . 0.312 38.1 p -32.98 102.06 0.2 Allowed Pre-proline 0 N--CA 1.479 0.977 2 C-N-CA 134.224 5.01 . . . . 0.0 122.662 161.794 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . 0.363 11.4 Cg_endo -81.95 131.64 7.07 Favored 'Trans proline' 0 C--N 1.37 1.702 2 C-N-CA 126.47 4.78 . . . . 0.0 124.386 -177.213 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . 0.495 0.0 OUTLIER -105.61 -46.9 4.05 Favored 'General case' 0 N--CA 1.479 0.977 1 C-N-CA 134.341 5.057 . . . . 0.0 117.189 -176.13 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . 0.512 1.0 OUTLIER . . . . . 0 C--O 1.252 1.2 0 C-N-CA 127.438 2.295 . . . . 0.0 107.704 -159.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 0.253 1.4 mpp? . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 114.522 -2.656 . . . . 0.0 115.416 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.349 0.9 OUTLIER -123.5 131.93 72.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 131.251 3.82 . . . . 0.0 112.079 -166.12 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.392 2.3 m -90.75 81.27 5.8 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 126.46 1.904 . . . . 0.0 115.114 -175.42 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -139.05 152.48 47.6 Favored 'General case' 0 N--CA 1.473 0.694 2 C-N-CA 136.866 6.066 . . . . 0.0 111.275 -167.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -78.43 110.74 13.76 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 130.243 3.417 . . . . 0.0 113.193 152.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.312 0.0 OUTLIER -112.79 21.39 15.57 Favored 'General case' 0 N--CA 1.478 0.941 1 C-N-CA 132.332 4.253 . . . . 0.0 117.244 171.202 . . . . . . . . 4 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -72.47 11.45 0.61 Allowed 'General case' 0 CA--C 1.553 1.069 1 C-N-CA 132.317 4.247 . . . . 0.0 117.257 165.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.98 -31.81 72.21 Favored 'General case' 0 N--CA 1.479 0.976 1 C-N-CA 133.148 4.579 . . . . 0.0 117.633 151.873 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.0 m -62.27 -18.25 60.76 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 120.445 3.498 . . . . 0.0 120.445 159.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.741 ' HA ' HG22 ' A' ' 13' ' ' THR 0.303 0.7 OUTLIER -78.88 -42.24 27.79 Favored 'General case' 0 CA--C 1.534 0.34 1 CA-C-O 111.667 -4.016 . . . . 0.0 114.886 152.082 . . . . . . . . 5 4 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.32 -4.58 26.82 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 120.186 3.402 . . . . 0.0 120.186 -177.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.495 ' O ' HD13 ' A' ' 16' ' ' ILE 0.446 0.8 OUTLIER -96.15 -54.48 7.04 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 2 CA-C-O 110.062 -4.78 . . . . 0.0 113.439 157.05 . . . . . . . . 5 4 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.741 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.562 0.4 OUTLIER -51.43 -60.48 3.09 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 130.521 3.528 . . . . 0.0 119.896 179.813 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.399 0.0 OUTLIER -53.18 -27.22 20.34 Favored 'General case' 0 N--CA 1.472 0.647 1 C-N-CA 140.711 7.604 . . . . 0.0 121.738 155.752 . . . . . . . . 4 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -95.91 -31.86 7.13 Favored Glycine 0 CA--C 1.521 0.46 1 CA-C-O 112.899 -4.278 . . . . 0.0 117.873 -166.133 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.495 HD13 ' O ' ' A' ' 12' ' ' ILE 0.546 0.1 OUTLIER -60.2 -29.26 43.53 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.808 0 N-CA-C 118.073 2.619 . . . . 0.0 118.073 148.176 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.33 0.0 OUTLIER -77.18 -37.77 26.4 Favored 'Isoleucine or valine' 0 C--N 1.357 0.909 0 C-N-CA 131.585 3.954 . . . . 0.0 115.641 167.803 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.412 ' O ' HG22 ' A' ' 22' ' ' ILE 0.253 2.5 ttp -67.06 -36.43 82.02 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-O 112.449 -3.644 . . . . 0.0 116.695 161.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 32.2 mtm -65.85 -24.41 66.88 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-O 113.784 -3.007 . . . . 0.0 117.155 169.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.455 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 2.0 p -85.97 -29.91 23.17 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 113.633 -3.08 . . . . 0.0 117.964 166.337 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.302 5.3 mt -75.94 -29.39 58.3 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-O 111.72 -3.991 . . . . 0.0 116.871 162.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.412 HG22 ' O ' ' A' ' 18' ' ' MET 0.526 2.0 tp -69.94 -44.96 78.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 131.105 3.762 . . . . 0.0 118.351 172.459 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.259 67.1 t -76.87 -16.89 14.71 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 1 C-N-CA 134.224 5.01 . . . . 0.0 110.589 172.05 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.507 ' O ' HG13 ' A' ' 28' ' ' VAL 0.763 1.1 mp -85.97 -36.63 10.87 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 N-CA-C 121.596 3.925 . . . . 0.0 121.596 163.427 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.46 2.6 m-85 -63.73 -30.69 71.76 Favored 'General case' 0 N--CA 1.477 0.894 1 C-N-CA 134.4 5.08 . . . . 0.0 116.45 161.898 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -75.56 -6.99 53.06 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 120.735 3.606 . . . . 0.0 120.735 158.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . 0.336 . . -93.28 -38.4 11.54 Favored 'General case' 0 CA--C 1.537 0.443 1 CA-C-O 109.249 -5.167 . . . . 0.0 115.662 157.916 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.507 HG13 ' O ' ' A' ' 24' ' ' ILE 0.537 0.9 OUTLIER -87.36 -53.21 10.46 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 N-CA-C 118.159 2.651 . . . . 0.0 118.159 -174.668 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -69.22 -46.76 66.6 Favored 'General case' 0 N--CA 1.473 0.705 1 C-N-CA 134.498 5.119 . . . . 0.0 116.147 177.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.9 t -72.39 159.21 34.37 Favored 'General case' 0 N--CA 1.476 0.869 1 C-N-CA 134.639 5.176 . . . . 0.0 118.708 162.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.288 25.8 p -73.22 84.63 1.38 Allowed 'General case' 0 N--CA 1.475 0.808 1 C-N-CA 131.929 4.091 . . . . 0.0 116.432 -157.613 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.441 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -134.47 163.66 29.21 Favored 'General case' 0 N--CA 1.473 0.679 1 C-N-CA 133.991 4.916 . . . . 0.0 116.204 -175.821 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . 0.253 90.7 p -76.42 98.97 0.29 Allowed Pre-proline 0 CA--C 1.548 0.875 0 N-CA-C 121.373 3.842 . . . . 0.0 121.373 138.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.441 ' HD3' ' HB3' ' A' ' 32' ' ' MET 0.342 11.5 Cg_endo -86.05 166.9 9.64 Favored 'Trans proline' 0 C--N 1.369 1.647 2 C-N-CA 128.132 5.888 . . . . 0.0 122.937 153.184 . . . . . . . . 4 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . 0.409 0.5 OUTLIER -54.03 -35.91 62.46 Favored 'General case' 0 N--CA 1.481 1.096 1 C-N-CA 133.81 4.844 . . . . 0.0 120.449 177.113 . . . . . . . . 4 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . 0.756 9.5 m-80 . . . . . 0 C--O 1.252 1.204 2 N-CA-C 127.649 6.166 . . . . 0.0 127.649 -158.169 . . . . . . . . 2 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mmt . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.257 2.8 mt -128.26 102.67 8.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 131.201 3.8 . . . . 0.0 106.623 179.287 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 t -126.65 -66.18 0.92 Allowed 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 131.219 3.808 . . . . 0.0 113.132 159.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -144.23 134.87 24.87 Favored 'General case' 0 N--CA 1.477 0.896 1 C-N-CA 133.099 4.559 . . . . 0.0 110.985 -157.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.251 21.7 mt-10 -81.34 103.69 11.28 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 130.126 3.371 . . . . 0.0 115.041 -175.032 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.319 6.5 mt-30 -117.76 7.03 12.39 Favored 'General case' 0 CA--C 1.543 0.696 1 C-N-CA 133.306 4.643 . . . . 0.0 115.335 -169.482 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -64.27 9.82 0.07 Allowed 'General case' 0 CA--C 1.552 1.057 1 C-N-CA 134.855 5.262 . . . . 0.0 118.25 160.159 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -65.73 -34.9 79.26 Favored 'General case' 0 N--CA 1.477 0.912 1 C-N-CA 132.978 4.511 . . . . 0.0 116.344 154.024 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.26 -13.5 62.43 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 130.352 3.461 . . . . 0.0 118.631 162.017 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.861 ' HA ' HG22 ' A' ' 13' ' ' THR . 0.4 OUTLIER -80.85 -46.46 15.26 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 112.845 -3.455 . . . . 0.0 115.335 149.644 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.83 -11.67 29.24 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 120.042 3.349 . . . . 0.0 120.042 -176.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.522 ' O ' HD13 ' A' ' 16' ' ' ILE 0.515 0.7 OUTLIER -89.66 -55.59 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 1 CA-C-O 109.853 -4.88 . . . . 0.0 115.561 155.007 . . . . . . . . 5 4 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.861 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.551 0.4 OUTLIER -48.65 -59.35 3.6 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 130.496 3.518 . . . . 0.0 119.483 179.535 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.403 0.0 OUTLIER -53.72 -28.52 34.56 Favored 'General case' 0 N--CA 1.472 0.638 2 C-N-CA 141.243 7.817 . . . . 0.0 122.305 156.242 . . . . . . . . 4 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -98.86 -30.31 6.83 Favored Glycine 0 C--N 1.335 0.481 1 CA-C-O 112.235 -4.647 . . . . 0.0 117.173 -163.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.522 HD13 ' O ' ' A' ' 12' ' ' ILE 0.518 0.1 OUTLIER -60.81 -29.57 45.48 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 CA-C-O 114.682 -2.58 . . . . 0.0 117.477 148.454 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -78.73 -33.48 16.64 Favored 'Isoleucine or valine' 0 C--N 1.358 0.958 0 C-N-CA 131.173 3.789 . . . . 0.0 114.64 168.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.445 ' O ' HG22 ' A' ' 22' ' ' ILE . 2.3 tmm? -72.97 -34.65 66.61 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 112.18 -3.771 . . . . 0.0 115.747 164.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 17.5 mtm -71.02 -23.39 62.16 Favored 'General case' 0 C--N 1.345 0.406 0 CA-C-O 113.359 -3.21 . . . . 0.0 116.994 171.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.491 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 3.3 p -79.81 -36.07 37.52 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 113.411 -3.185 . . . . 0.0 117.771 163.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.3 4.0 mt -75.34 -27.93 59.4 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 131.058 3.743 . . . . 0.0 116.789 168.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.445 HG22 ' O ' ' A' ' 18' ' ' MET 0.52 2.1 tp -69.18 -45.5 79.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 131.521 3.928 . . . . 0.0 118.192 168.794 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.288 91.1 t -75.8 -18.25 15.56 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 1 C-N-CA 134.116 4.966 . . . . 0.0 111.125 172.375 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.506 ' O ' HG13 ' A' ' 28' ' ' VAL 0.749 1.1 mp -86.31 -37.47 11.62 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 N-CA-C 120.798 3.629 . . . . 0.0 120.798 165.08 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.478 2.6 m-85 -61.67 -32.71 72.9 Favored 'General case' 0 N--CA 1.478 0.964 1 C-N-CA 134.725 5.21 . . . . 0.0 115.318 161.635 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -73.44 -7.02 50.01 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 120.704 3.594 . . . . 0.0 120.704 161.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -101.59 -28.65 12.4 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 114.019 -2.896 . . . . 0.0 116.634 164.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.506 HG13 ' O ' ' A' ' 24' ' ' ILE 0.51 0.7 OUTLIER -92.6 -61.89 1.88 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 130.267 3.427 . . . . 0.0 115.706 -179.482 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -57.36 -31.37 65.69 Favored 'General case' 0 N--CA 1.476 0.839 1 C-N-CA 134.898 5.279 . . . . 0.0 117.707 174.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.6 p -59.44 157.61 10.95 Favored 'General case' 0 N--CA 1.474 0.742 1 C-N-CA 133.541 4.736 . . . . 0.0 119.806 160.529 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.462 0.8 OUTLIER -68.04 89.63 0.3 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 130.613 3.565 . . . . 0.0 116.631 -168.553 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.38 168.42 9.99 Favored 'General case' 0 N--CA 1.474 0.741 1 C-N-CA 134.587 5.155 . . . . 0.0 114.717 179.715 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.5 m -42.7 120.22 2.6 Favored Pre-proline 0 N--CA 1.477 0.908 0 N-CA-C 120.246 3.424 . . . . 0.0 120.246 148.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . 0.465 33.2 Cg_endo -68.97 139.19 42.33 Favored 'Trans proline' 0 C--N 1.367 1.552 2 C-N-CA 126.749 4.966 . . . . 0.0 122.516 168.516 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . 0.297 0.0 OUTLIER -48.71 -42.12 34.02 Favored 'General case' 0 N--CA 1.486 1.35 1 C-N-CA 135.642 5.577 . . . . 0.0 118.081 -168.998 . . . . . . . . 4 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.4 t30 . . . . . 0 C--O 1.25 1.127 1 C-N-CA 134.386 5.075 . . . . 0.0 121.513 -162.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.5 mmt . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 113.804 1.039 . . . . 0.0 113.804 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.5 mp -108.28 112.5 40.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 C-N-CA 131.557 3.943 . . . . 0.0 107.696 173.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.62 121.18 10.95 Favored 'General case' 0 N--CA 1.469 0.497 1 C-N-CA 132.662 4.385 . . . . 0.0 118.038 169.448 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . 0.393 1.9 p-10 -74.62 93.86 2.59 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 109.805 -3.361 . . . . 0.0 114.911 -171.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -109.39 124.5 51.1 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 131.661 3.984 . . . . 0.0 114.285 -171.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.305 3.2 pt20 -47.94 -2.07 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.714 2 C-N-CA 135.562 5.545 . . . . 0.0 121.883 162.703 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -64.0 6.43 0.17 Allowed 'General case' 0 CA--C 1.55 0.976 1 C-N-CA 134.697 5.199 . . . . 0.0 118.315 160.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -64.01 -14.17 52.13 Favored 'General case' 0 N--CA 1.475 0.817 1 C-N-CA 133.174 4.59 . . . . 0.0 117.569 145.47 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.1 m -69.37 -15.77 63.38 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 129.831 3.253 . . . . 0.0 117.122 158.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.821 ' HA ' HG22 ' A' ' 13' ' ' THR 0.302 1.0 OUTLIER -71.6 -47.22 56.14 Favored 'General case' 0 C--N 1.348 0.525 0 C-N-CA 130.685 3.594 . . . . 0.0 115.484 151.159 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.53 -4.68 9.03 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 120.997 3.703 . . . . 0.0 120.997 -178.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.49 ' O ' HD13 ' A' ' 16' ' ' ILE 0.46 0.8 OUTLIER -95.0 -55.62 5.95 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 2 CA-C-O 109.944 -4.836 . . . . 0.0 113.253 156.365 . . . . . . . . 5 4 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.821 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.569 0.4 OUTLIER -50.89 -61.83 1.98 Allowed 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 130.359 3.463 . . . . 0.0 118.716 -178.747 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.397 0.0 OUTLIER -52.49 -24.51 8.15 Favored 'General case' 0 N--CA 1.473 0.72 2 C-N-CA 140.768 7.627 . . . . 0.0 122.217 156.52 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -100.29 -33.8 5.02 Favored Glycine 0 C--N 1.333 0.396 1 CA-C-O 111.343 -5.143 . . . . 0.0 116.317 -162.297 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.49 HD13 ' O ' ' A' ' 12' ' ' ILE 0.515 0.1 OUTLIER -60.05 -30.52 45.81 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.837 0 O-C-N 127.753 2.678 . . . . 0.0 117.41 148.202 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.35 0.1 OUTLIER -75.93 -33.47 25.36 Favored 'Isoleucine or valine' 0 C--N 1.357 0.912 0 C-N-CA 130.754 3.622 . . . . 0.0 115.356 165.825 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.464 ' O ' HG22 ' A' ' 22' ' ' ILE 0.285 0.0 OUTLIER -71.42 -38.99 71.36 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-O 113.199 -3.286 . . . . 0.0 117.238 162.393 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.2 mmt -64.39 -19.33 65.43 Favored 'General case' 0 C--N 1.343 0.3 0 CA-C-O 112.958 -3.401 . . . . 0.0 117.157 171.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.508 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 5.1 p -89.45 -35.24 16.11 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 113.929 -2.939 . . . . 0.0 116.588 168.632 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.2 mp -79.46 -25.32 41.94 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 130.655 3.582 . . . . 0.0 115.319 173.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.464 HG22 ' O ' ' A' ' 18' ' ' MET 0.494 2.0 tp -68.39 -49.28 67.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 131.51 3.924 . . . . 0.0 118.13 165.552 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.25 90.6 t -72.92 -17.89 18.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 1 C-N-CA 134.238 5.015 . . . . 0.0 111.182 173.689 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.508 ' HB ' ' O ' ' A' ' 20' ' ' THR 0.714 1.1 mp -85.46 -36.92 11.55 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 N-CA-C 120.359 3.466 . . . . 0.0 120.359 163.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.499 3.1 m-85 -60.59 -28.27 68.36 Favored 'General case' 0 N--CA 1.477 0.901 1 C-N-CA 134.055 4.942 . . . . 0.0 117.475 162.41 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -76.63 -13.89 60.02 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 120.606 3.558 . . . . 0.0 120.606 162.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.33 -16.79 19.2 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 128.072 2.549 . . . . 0.0 117.223 168.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.508 HG13 ' O ' ' A' ' 24' ' ' ILE 0.464 0.9 OUTLIER -101.45 -60.07 3.02 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 C-N-CA 131.222 3.809 . . . . 0.0 114.855 178.648 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -78.81 -52.53 8.21 Favored 'General case' 0 N--CA 1.473 0.704 1 C-N-CA 134.346 5.058 . . . . 0.0 116.013 -178.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.77 166.88 15.72 Favored 'General case' 0 N--CA 1.475 0.777 1 C-N-CA 133.893 4.877 . . . . 0.0 119.626 158.327 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.409 1.3 t -82.88 121.64 27.21 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 130.583 3.553 . . . . 0.0 118.246 164.368 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.52 151.76 20.28 Favored 'General case' 0 N--CA 1.475 0.796 1 C-N-CA 132.38 4.272 . . . . 0.0 114.382 156.656 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.13 120.05 51.09 Favored Pre-proline 0 N--CA 1.473 0.715 0 N-CA-C 117.951 2.574 . . . . 0.0 117.951 140.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . 0.321 17.7 Cg_endo -80.27 173.02 12.99 Favored 'Trans proline' 0 C--N 1.363 1.323 0 C-N-CA 124.71 3.607 . . . . 0.0 120.324 159.111 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . 0.326 0.3 OUTLIER -51.92 -42.16 62.57 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-O 112.33 -3.7 . . . . 0.0 115.643 176.018 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . 0.37 0.2 OUTLIER . . . . . 0 C--O 1.253 1.277 0 C-N-CA 128.436 2.695 . . . . 0.0 107.973 -164.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mtt . . . . . 0 N--CA 1.489 1.499 0 CA-C-O 120.765 0.317 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.302 1.4 tp -122.44 128.01 75.27 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 C-N-CA 131.194 3.798 . . . . 0.0 112.52 -172.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.3 m -94.16 93.39 7.77 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 129.78 3.232 . . . . 0.0 114.866 162.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -152.33 151.6 31.07 Favored 'General case' 0 N--CA 1.477 0.917 1 C-N-CA 134.465 5.106 . . . . 0.0 113.26 165.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -78.89 152.6 31.1 Favored 'General case' 0 N--CA 1.486 1.375 1 C-N-CA 134.573 5.149 . . . . 0.0 118.949 157.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.554 1.0 OUTLIER 75.89 33.56 0.6 Allowed 'General case' 0 N--CA 1.493 1.713 1 C-N-CA 137.265 6.226 . . . . 0.0 119.176 -169.21 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -84.26 14.92 3.89 Favored 'General case' 0 CA--C 1.548 0.896 1 C-N-CA 134.052 4.941 . . . . 0.0 118.361 173.474 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -62.69 -16.51 57.55 Favored 'General case' 0 N--CA 1.477 0.901 1 C-N-CA 133.002 4.521 . . . . 0.0 118.616 143.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 m -67.3 -12.23 59.6 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 129.497 3.119 . . . . 0.0 116.14 161.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.718 ' HA ' HG22 ' A' ' 13' ' ' THR 0.361 1.1 tt -69.08 -51.02 43.09 Favored 'General case' 0 C--N 1.349 0.57 0 C-N-CA 130.811 3.644 . . . . 0.0 116.347 150.298 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.19 -0.85 1.88 Allowed 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 121.419 3.859 . . . . 0.0 121.419 -178.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.492 ' O ' HD13 ' A' ' 16' ' ' ILE 0.45 1.2 mp -101.87 -58.09 4.1 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 2 CA-C-O 110.049 -4.786 . . . . 0.0 109.475 160.466 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.718 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.556 0.4 OUTLIER -50.03 -60.42 2.95 Favored 'General case' 0 N--CA 1.482 1.14 1 C-N-CA 131.731 4.012 . . . . 0.0 119.127 -179.03 . . . . . . . . 5 4 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.427 0.0 OUTLIER -52.06 -29.03 19.52 Favored 'General case' 0 N--CA 1.472 0.67 2 C-N-CA 139.843 7.257 . . . . 0.0 122.745 157.18 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -103.32 -26.96 6.69 Favored Glycine 0 CA--C 1.522 0.503 1 CA-C-O 112.413 -4.548 . . . . 0.0 117.631 -163.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.492 HD13 ' O ' ' A' ' 12' ' ' ILE 0.544 0.1 OUTLIER -62.92 -29.75 47.92 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.851 0 CA-C-O 114.628 -2.606 . . . . 0.0 117.462 144.406 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.3 0.0 OUTLIER -74.33 -34.89 38.1 Favored 'Isoleucine or valine' 0 C--N 1.359 1.014 0 C-N-CA 130.428 3.491 . . . . 0.0 115.465 165.123 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -75.72 -34.63 60.36 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 113.017 -3.373 . . . . 0.0 117.342 168.008 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 11.9 mtt -62.97 -28.14 69.88 Favored 'General case' 0 C--N 1.345 0.403 0 CA-C-O 113.448 -3.168 . . . . 0.0 116.774 166.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.505 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 4.3 p -80.55 -35.17 34.77 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 113.338 -3.22 . . . . 0.0 116.829 169.545 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.375 6.1 mt -71.39 -31.75 67.65 Favored 'General case' 0 N--CA 1.477 0.921 1 CA-C-O 110.746 -4.455 . . . . 0.0 116.975 164.339 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . 0.535 1.7 tp -70.07 -41.82 79.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 131.598 3.959 . . . . 0.0 117.836 171.407 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.261 59.2 t -77.56 -19.02 14.07 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 1 C-N-CA 134.85 5.26 . . . . 0.0 110.792 172.339 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.555 ' O ' HG13 ' A' ' 28' ' ' VAL 0.752 1.1 mp -88.13 -43.28 15.36 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 N-CA-C 120.296 3.443 . . . . 0.0 120.296 168.184 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.455 3.3 m-30 -52.91 -35.15 57.86 Favored 'General case' 0 N--CA 1.476 0.865 1 C-N-CA 134.974 5.309 . . . . 0.0 116.449 154.959 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . 0.364 79.5 t60 -61.71 -25.16 67.25 Favored 'General case' 0 N--CA 1.469 0.476 1 CA-C-O 107.207 -6.139 . . . . 0.0 119.178 159.919 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.29 -16.15 18.59 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 117.017 2.229 . . . . 0.0 117.017 177.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.555 HG13 ' O ' ' A' ' 24' ' ' ILE 0.434 0.8 OUTLIER -98.62 -60.28 2.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 130.47 3.508 . . . . 0.0 113.542 177.596 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.23 -6.99 1.67 Allowed 'General case' 0 CA--C 1.545 0.773 1 C-N-CA 133.738 4.815 . . . . 0.0 120.47 157.617 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.69 146.59 1.5 Allowed 'General case' 0 N--CA 1.476 0.829 1 C-N-CA 131.93 4.092 . . . . 0.0 120.163 150.487 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.338 36.6 p -65.8 84.57 0.08 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 131.047 3.739 . . . . 0.0 114.701 -177.143 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -117.58 152.17 35.67 Favored 'General case' 0 N--CA 1.471 0.604 2 C-N-CA 135.253 5.421 . . . . 0.0 110.627 -168.823 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . 0.359 1.0 OUTLIER -52.66 94.75 0.06 OUTLIER Pre-proline 0 N--CA 1.476 0.866 1 C-N-CA 133.362 4.665 . . . . 0.0 117.817 -179.955 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . 0.436 9.2 Cg_endo -83.72 108.53 1.45 Allowed 'Trans proline' 0 C--N 1.368 1.56 1 N-CA-C 122.952 4.174 . . . . 0.0 122.952 -171.446 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.14 -41.59 9.02 Favored 'General case' 0 N--CA 1.474 0.726 1 C-N-CA 132.169 4.188 . . . . 0.0 114.814 -165.855 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--O 1.254 1.329 0 C-N-CA 127.065 2.146 . . . . 0.0 110.837 174.583 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 0.286 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.255 2.5 pp -122.48 143.95 33.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 1 C-N-CA 132.462 4.305 . . . . 0.0 112.807 -170.621 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.276 67.6 m -101.82 67.3 1.09 Allowed 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 128.224 2.609 . . . . 0.0 114.744 170.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -158.61 162.89 37.36 Favored 'General case' 0 N--CA 1.483 1.196 1 C-N-CA 134.219 5.007 . . . . 0.0 115.416 178.633 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.73 115.05 10.47 Favored 'General case' 0 N--CA 1.481 1.124 1 C-N-CA 132.704 4.402 . . . . 0.0 115.533 159.196 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.291 2.0 pt20 -109.95 -11.4 14.66 Favored 'General case' 0 N--CA 1.475 0.787 2 C-N-CA 134.198 4.999 . . . . 0.0 116.249 174.482 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -58.28 6.78 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.011 1 C-N-CA 134.05 4.94 . . . . 0.0 119.446 175.57 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.416 ' HA ' ' HB3' ' A' ' 11' ' ' ALA . 3.8 t-20 -57.27 -36.03 70.5 Favored 'General case' 0 N--CA 1.478 0.943 1 C-N-CA 134.304 5.041 . . . . 0.0 118.749 147.365 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 m -64.1 -22.61 67.0 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 119.58 3.178 . . . . 0.0 119.58 159.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.847 ' HA ' HG22 ' A' ' 13' ' ' THR 0.253 0.6 OUTLIER -76.87 -44.95 30.09 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 112.075 -3.821 . . . . 0.0 114.14 154.794 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.416 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . . . -64.65 -8.77 15.69 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 121.037 3.717 . . . . 0.0 121.037 -178.254 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.477 ' O ' HD13 ' A' ' 16' ' ' ILE 0.508 0.8 OUTLIER -92.8 -57.09 4.58 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 1 CA-C-O 110.208 -4.711 . . . . 0.0 113.332 156.969 . . . . . . . . 5 4 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.847 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.555 0.3 OUTLIER -47.45 -59.5 3.18 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 130.866 3.666 . . . . 0.0 119.987 179.531 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.417 0.0 OUTLIER -53.72 -31.32 47.75 Favored 'General case' 0 N--CA 1.471 0.607 2 C-N-CA 141.376 7.87 . . . . 0.0 122.918 157.621 . . . . . . . . 4 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -101.2 -22.66 10.38 Favored Glycine 0 CA--C 1.522 0.502 0 CA-C-O 113.789 -3.784 . . . . 0.0 118.376 -164.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.477 HD13 ' O ' ' A' ' 12' ' ' ILE 0.538 0.1 OUTLIER -63.77 -31.93 55.02 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.828 0 CA-C-O 114.717 -2.563 . . . . 0.0 117.588 144.028 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.28 0.0 OUTLIER -74.79 -35.7 37.5 Favored 'Isoleucine or valine' 0 C--N 1.359 0.996 0 C-N-CA 131.432 3.893 . . . . 0.0 114.481 166.47 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.436 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -70.31 -36.76 74.5 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 112.156 -3.783 . . . . 0.0 116.8 164.553 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 13.4 mtp -62.16 -27.42 68.94 Favored 'General case' 0 C--N 1.347 0.462 0 CA-C-O 113.282 -3.246 . . . . 0.0 118.278 166.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.455 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 2.2 p -83.88 -31.36 25.76 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 114.309 -2.758 . . . . 0.0 117.48 169.635 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.39 5.4 mt -72.82 -36.14 67.46 Favored 'General case' 0 N--CA 1.476 0.868 1 CA-C-O 110.553 -4.546 . . . . 0.0 116.432 162.554 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.436 HG22 ' O ' ' A' ' 18' ' ' MET 0.569 1.7 tp -64.73 -44.11 96.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 131.26 3.824 . . . . 0.0 118.649 173.094 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.264 90.7 t -78.13 -20.11 13.56 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 1 C-N-CA 133.812 4.845 . . . . 0.0 110.107 175.596 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.558 ' O ' HG13 ' A' ' 28' ' ' VAL 0.714 1.2 mp -84.89 -40.58 15.16 Favored 'Isoleucine or valine' 0 C--N 1.351 0.64 0 N-CA-C 119.838 3.273 . . . . 0.0 119.838 166.912 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.504 2.3 m-85 -56.66 -34.86 67.75 Favored 'General case' 0 N--CA 1.472 0.661 2 C-N-CA 134.016 4.926 . . . . 0.0 116.938 160.271 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -71.27 -10.49 59.85 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 121.128 3.751 . . . . 0.0 121.128 160.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -101.82 -21.03 14.68 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 114.797 -2.525 . . . . 0.0 117.045 166.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 24' ' ' ILE 0.49 0.9 OUTLIER -95.97 -55.78 5.79 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 129.323 3.049 . . . . 0.0 116.34 178.626 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.06 -28.24 62.4 Favored 'General case' 0 CA--C 1.548 0.868 1 C-N-CA 134.961 5.304 . . . . 0.0 118.284 171.449 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.21 172.96 2.17 Favored 'General case' 0 N--CA 1.476 0.871 1 C-N-CA 135.337 5.455 . . . . 0.0 121.279 156.428 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.348 90.1 m -74.97 82.99 2.22 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 131.244 3.818 . . . . 0.0 112.198 -179.398 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.29 179.37 5.82 Favored 'General case' 0 N--CA 1.477 0.918 1 C-N-CA 135.662 5.585 . . . . 0.0 112.977 170.072 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.3 m -53.35 119.05 16.02 Favored Pre-proline 0 N--CA 1.481 1.089 0 C-N-CA 131.271 3.828 . . . . 0.0 120.673 154.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . 0.302 5.2 Cg_exo -76.08 129.98 11.83 Favored 'Trans proline' 0 C--N 1.368 1.573 2 N-CA-C 124.432 4.743 . . . . 0.0 124.432 167.954 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . 0.418 0.8 OUTLIER -111.68 -40.33 4.35 Favored 'General case' 0 N--CA 1.475 0.81 1 C-N-CA 133.964 4.906 . . . . 0.0 116.379 -173.829 . . . . . . . . 4 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . 0.335 1.5 t-20 . . . . . 0 C--O 1.255 1.373 0 C-N-CA 129.065 2.946 . . . . 0.0 105.251 -169.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 0.364 27.2 mtm . . . . . 0 N--CA 1.492 1.626 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.354 0.3 OUTLIER -110.44 132.23 59.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 131.41 3.884 . . . . 0.0 114.307 167.829 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.2 m -95.07 96.68 9.41 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 130.325 3.45 . . . . 0.0 113.995 169.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -130.71 145.65 51.99 Favored 'General case' 0 CA--C 1.548 0.871 1 C-N-CA 131.765 4.026 . . . . 0.0 113.294 176.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -93.2 155.92 17.15 Favored 'General case' 0 N--CA 1.484 1.243 1 C-N-CA 134.739 5.216 . . . . 0.0 116.653 168.455 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.51 0.0 OUTLIER 79.62 14.91 0.94 Allowed 'General case' 0 N--CA 1.494 1.732 1 C-N-CA 136.241 5.816 . . . . 0.0 119.483 -166.423 . . . . . . . . 4 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.294 1.8 mm? -64.06 -2.08 1.83 Allowed 'General case' 0 N--CA 1.477 0.884 1 C-N-CA 132.185 4.194 . . . . 0.0 120.081 176.167 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -50.7 -10.18 0.06 Allowed 'General case' 0 N--CA 1.479 0.992 1 C-N-CA 133.144 4.578 . . . . 0.0 119.239 147.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.49 -9.9 58.93 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 129.687 3.195 . . . . 0.0 117.925 157.102 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.726 ' HA ' HG22 ' A' ' 13' ' ' THR 0.371 0.4 OUTLIER -70.15 -48.15 58.61 Favored 'General case' 0 C--N 1.348 0.525 0 C-N-CA 130.777 3.631 . . . . 0.0 116.08 149.595 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.25 -6.5 9.8 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 120.628 3.566 . . . . 0.0 120.628 179.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.522 ' O ' HD13 ' A' ' 16' ' ' ILE 0.444 0.7 OUTLIER -92.97 -59.7 2.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 1 CA-C-O 110.45 -4.595 . . . . 0.0 113.237 155.446 . . . . . . . . 5 4 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.726 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.548 0.3 OUTLIER -49.17 -61.85 1.85 Allowed 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 130.567 3.547 . . . . 0.0 119.917 -179.282 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.38 0.0 OUTLIER -49.57 -28.01 5.14 Favored 'General case' 0 N--CA 1.473 0.682 2 C-N-CA 139.957 7.303 . . . . 0.0 122.176 154.189 . . . . . . . . 4 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -97.78 -32.62 6.15 Favored Glycine 0 C--N 1.334 0.452 1 CA-C-O 111.052 -5.304 . . . . 0.0 117.025 -164.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.522 HD13 ' O ' ' A' ' 12' ' ' ILE 0.535 0.1 OUTLIER -58.82 -31.28 44.51 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 CA-C-O 114.732 -2.556 . . . . 0.0 117.506 147.199 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.337 0.0 OUTLIER -76.26 -35.68 28.31 Favored 'Isoleucine or valine' 0 C--N 1.357 0.926 0 C-N-CA 131.143 3.777 . . . . 0.0 115.344 167.318 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.424 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.5 OUTLIER -71.0 -37.05 72.67 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 113.221 -3.276 . . . . 0.0 115.65 164.882 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.5 mtp -68.75 -22.81 64.28 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 129.847 3.259 . . . . 0.0 117.216 175.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.514 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 2.0 p -80.51 -35.77 34.17 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 113.457 -3.163 . . . . 0.0 117.779 162.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.7 mp -79.31 -26.56 42.22 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 131.076 3.751 . . . . 0.0 115.952 173.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.424 HG22 ' O ' ' A' ' 18' ' ' MET 0.476 1.9 tp -68.1 -49.32 68.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 1 C-N-CA 133.031 4.533 . . . . 0.0 118.102 166.019 . . . . . . . . 4 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.256 91.5 t -72.46 -18.19 18.87 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 1 C-N-CA 133.79 4.836 . . . . 0.0 110.689 173.172 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.514 ' HB ' ' O ' ' A' ' 20' ' ' THR 0.711 1.1 mp -86.49 -37.54 11.59 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 N-CA-C 120.007 3.336 . . . . 0.0 120.007 165.139 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.514 3.2 m-85 -59.23 -30.65 68.4 Favored 'General case' 0 N--CA 1.476 0.847 1 C-N-CA 133.916 4.886 . . . . 0.0 116.379 161.668 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -77.07 -12.37 59.93 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 120.114 3.376 . . . . 0.0 120.114 164.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.09 -16.95 18.46 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 128.01 2.524 . . . . 0.0 116.984 167.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 24' ' ' ILE 0.474 0.8 OUTLIER -99.1 -60.83 2.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 C-N-CA 130.508 3.523 . . . . 0.0 114.764 177.307 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.61 -52.15 8.87 Favored 'General case' 0 CA--C 1.543 0.684 1 C-N-CA 133.973 4.909 . . . . 0.0 114.891 -176.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.31 161.24 19.6 Favored 'General case' 0 N--CA 1.475 0.81 1 C-N-CA 133.438 4.695 . . . . 0.0 118.446 161.195 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.274 68.0 m -90.63 97.17 11.02 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 131.627 3.971 . . . . 0.0 112.688 -177.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.42 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -123.41 138.97 54.48 Favored 'General case' 0 N--CA 1.471 0.615 1 C-N-CA 133.147 4.579 . . . . 0.0 113.58 164.282 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.9 m -105.73 105.2 52.12 Favored Pre-proline 0 CA--C 1.544 0.735 0 C-N-CA 126.994 2.118 . . . . 0.0 115.035 142.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.42 ' HD3' ' HB3' ' A' ' 32' ' ' MET 0.304 19.7 Cg_endo -76.18 33.59 0.41 Allowed 'Trans proline' 0 C--N 1.364 1.393 2 C-N-CA 126.497 4.798 . . . . 0.0 122.64 168.946 . . . . . . . . 4 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . 0.448 0.0 OUTLIER -137.21 -42.67 0.56 Allowed 'General case' 0 N--CA 1.472 0.637 1 C-N-CA 132.697 4.399 . . . . 0.0 113.3 -162.063 . . . . . . . . 4 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.7 t30 . . . . . 0 C--O 1.254 1.34 0 C-N-CA 129.168 2.987 . . . . 0.0 112.498 -153.244 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 0.388 3.1 ptm . . . . . 0 N--CA 1.489 1.477 0 CA-C-O 117.782 -1.104 . . . . 0.0 112.97 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.457 5.5 tt -142.85 103.27 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 130.762 3.625 . . . . 0.0 109.518 -159.164 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.261 32.7 t -110.11 -73.24 0.69 Allowed 'General case' 0 N--CA 1.474 0.735 1 C-N-CA 132.156 4.182 . . . . 0.0 111.695 169.895 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.31 147.91 34.09 Favored 'General case' 0 N--CA 1.477 0.897 1 C-N-CA 131.891 4.076 . . . . 0.0 114.525 177.103 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.368 0.2 OUTLIER -45.6 90.18 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.614 1 C-N-CA 132.853 4.461 . . . . 0.0 119.426 164.838 . . . . . . . . 4 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . 0.259 0.0 OUTLIER -108.53 15.06 24.15 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 131.33 3.852 . . . . 0.0 118.585 177.932 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -67.6 7.8 0.44 Allowed 'General case' 0 CA--C 1.553 1.088 1 C-N-CA 133.043 4.537 . . . . 0.0 116.487 161.019 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -65.83 -32.39 73.88 Favored 'General case' 0 N--CA 1.479 1.019 1 C-N-CA 133.784 4.834 . . . . 0.0 117.182 152.528 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.38 -15.64 58.48 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 129.346 3.058 . . . . 0.0 115.729 167.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.851 ' HA ' HG22 ' A' ' 13' ' ' THR 0.25 0.7 OUTLIER -75.58 -45.36 38.09 Favored 'General case' 0 C--N 1.346 0.436 0 C-N-CA 130.977 3.711 . . . . 0.0 115.458 149.67 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.44 -8.56 19.63 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 120.646 3.573 . . . . 0.0 120.646 -177.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.518 ' O ' HD13 ' A' ' 16' ' ' ILE 0.46 0.7 OUTLIER -91.63 -58.08 3.84 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 2 CA-C-O 110.645 -4.502 . . . . 0.0 113.473 156.739 . . . . . . . . 5 4 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.851 HG22 ' HA ' ' A' ' 10' ' ' LEU 0.553 0.3 OUTLIER -48.42 -59.91 3.1 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 130.671 3.588 . . . . 0.0 120.422 179.893 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.39 0.0 OUTLIER -53.29 -26.77 19.68 Favored 'General case' 0 N--CA 1.472 0.669 1 C-N-CA 141.246 7.819 . . . . 0.0 121.659 155.492 . . . . . . . . 4 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -100.21 -31.96 5.71 Favored Glycine 0 C--N 1.333 0.383 1 CA-C-O 111.685 -4.953 . . . . 0.0 115.894 -160.543 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.518 HD13 ' O ' ' A' ' 12' ' ' ILE 0.56 0.1 OUTLIER -59.11 -31.63 46.27 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 CA-C-O 114.07 -2.871 . . . . 0.0 117.869 147.18 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -77.91 -38.77 25.08 Favored 'Isoleucine or valine' 0 C--N 1.357 0.898 0 C-N-CA 131.026 3.73 . . . . 0.0 114.873 170.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.434 ' O ' HG22 ' A' ' 22' ' ' ILE . 1.6 mtp -66.05 -36.64 83.78 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-O 113.763 -3.018 . . . . 0.0 117.393 161.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 34.5 mtt -67.55 -23.5 65.43 Favored 'General case' 0 C--N 1.346 0.442 0 CA-C-O 113.735 -3.031 . . . . 0.0 116.964 171.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.498 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 1.3 p -82.86 -32.84 27.24 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 113.215 -3.279 . . . . 0.0 118.102 164.162 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.337 5.5 mt -74.68 -28.74 60.95 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 112.03 -3.843 . . . . 0.0 117.033 165.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.434 HG22 ' O ' ' A' ' 18' ' ' MET 0.507 2.0 tp -68.19 -48.96 71.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 131.332 3.853 . . . . 0.0 118.052 170.478 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.253 67.5 t -72.91 -17.22 18.09 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 1 C-N-CA 133.968 4.907 . . . . 0.0 110.895 171.875 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.533 ' O ' HG13 ' A' ' 28' ' ' VAL 0.721 1.2 mp -86.92 -35.97 9.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 N-CA-C 120.411 3.486 . . . . 0.0 120.411 164.105 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . 0.496 2.5 m-85 -64.42 -31.73 73.06 Favored 'General case' 0 N--CA 1.476 0.851 1 C-N-CA 134.113 4.965 . . . . 0.0 115.553 164.767 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -74.43 -10.09 59.23 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 120.154 3.39 . . . . 0.0 120.154 161.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . 0.28 . . -94.98 -28.9 14.91 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 111.787 -3.959 . . . . 0.0 115.976 164.028 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.533 HG13 ' O ' ' A' ' 24' ' ' ILE 0.485 0.7 OUTLIER -96.15 -57.36 4.48 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 C-N-CA 130.056 3.342 . . . . 0.0 116.845 -176.562 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -69.71 -48.46 59.48 Favored 'General case' 0 N--CA 1.475 0.823 1 C-N-CA 134.501 5.12 . . . . 0.0 115.268 -176.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . 0.257 13.9 t -63.13 172.39 1.86 Allowed 'General case' 0 N--CA 1.474 0.773 1 C-N-CA 134.536 5.134 . . . . 0.0 119.294 151.262 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.255 41.6 p -62.53 94.84 0.06 Allowed 'General case' 0 N--CA 1.474 0.764 1 C-N-CA 132.812 4.445 . . . . 0.0 115.761 -169.937 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.71 133.62 40.73 Favored 'General case' 0 N--CA 1.475 0.802 1 C-N-CA 133.727 4.811 . . . . 0.0 117.026 179.025 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . 0.378 0.5 OUTLIER -66.34 101.28 0.27 Allowed Pre-proline 0 CA--C 1.545 0.782 1 C-N-CA 132.002 4.121 . . . . 0.0 117.305 -179.576 . . . . . . . . 4 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . 0.364 11.9 Cg_endo -71.13 -14.72 31.93 Favored 'Trans proline' 0 C--N 1.369 1.613 0 N-CA-C 122.057 3.83 . . . . 0.0 122.057 -174.44 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . 0.301 0.0 OUTLIER -52.71 120.0 5.2 Favored 'General case' 0 N--CA 1.473 0.705 1 C-N-CA 135.388 5.475 . . . . 0.0 119.847 159.998 . . . . . . . . 4 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 . . . . . 0 C--O 1.249 1.062 0 C-N-CA 127.431 2.292 . . . . 0.0 112.919 157.072 . . . . . . . . 0 0 . 1 stop_ save_