data_6y8w_residue ############################ # Computer software used # ############################ 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 6y8w _Structure_validation_residue.Date_analyzed 2020-03-13 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 ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.665 0 CA-C-O 122.087 0.946 . . . . 0.0 113.458 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -133.02 144.93 50.39 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.8 1.64 . . . . 0.0 111.567 171.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 86.9 t -102.25 144.88 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 125.084 1.354 . . . . 0.0 110.95 176.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.0 p -136.51 141.07 42.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.803 1.641 . . . . 0.0 111.433 171.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 N--CA 1.472 0.653 0 C-N-CA 125.054 1.342 . . . . 0.0 113.145 -177.211 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 77.8 t . . . . . 0 N--CA 1.476 0.847 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -130.42 143.61 50.87 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.95 1.3 . . . . 0.0 110.96 175.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -130.45 114.01 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 124.809 1.244 . . . . 0.0 109.587 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.29 163.34 30.14 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 124.075 0.845 . . . . 0.0 113.853 178.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 54.82 41.77 31.66 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 126.068 1.747 . . . . 0.0 113.961 173.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.0 m -73.73 136.39 25.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 O-C-N 121.358 -0.839 . . . . 0.0 111.724 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.8 mt -90.97 -28.53 17.97 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.097 1.359 . . . . 0.0 112.015 173.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 64.3 tt0 -158.41 150.53 21.68 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.847 0.859 . . . . 0.0 112.567 178.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.2 t -134.65 138.1 50.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 126.631 1.972 . . . . 0.0 109.552 171.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -137.37 136.97 38.38 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 125.31 1.444 . . . . 0.0 111.726 -179.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.682 0 C-N-CA 123.651 0.78 . . . . 0.0 109.09 165.128 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.652 0 CA-C-O 121.299 0.571 . . . . 0.0 111.421 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 88.7 t -109.39 128.3 65.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 O-C-N 121.746 -0.596 . . . . 0.0 110.662 163.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -99.57 147.01 25.8 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.862 1.665 . . . . 0.0 110.334 168.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -152.3 139.07 12.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 123.495 0.718 . . . . 0.0 111.694 175.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.0 m -126.07 145.58 50.27 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.053 1.341 . . . . 0.0 110.91 -171.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 43.5 p -122.32 164.98 16.97 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 125.089 1.356 . . . . 0.0 113.232 -172.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.09 -5.18 20.52 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 171.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -79.5 4.51 15.45 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.529 1.132 . . . . 0.0 112.858 170.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 60.83 14.06 4.89 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.803 2.041 . . . . 0.0 113.987 -167.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -89.33 146.14 24.9 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.935 1.294 . . . . 0.0 111.386 175.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.2 tt0 -132.11 132.47 43.31 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.891 1.277 . . . . 0.0 110.937 175.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -111.97 154.36 25.4 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 126.277 1.831 . . . . 0.0 111.269 -179.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -138.57 136.4 35.98 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.752 1.221 . . . . 0.0 111.526 173.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -132.06 92.55 29.11 Favored Pre-proline 0 C--O 1.239 0.534 0 C-N-CA 125.409 1.484 . . . . 0.0 110.281 -173.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -68.94 147.08 67.36 Favored 'Trans proline' 0 CA--C 1.54 0.817 0 C-N-CA 123.258 2.639 . . . . 0.0 112.876 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.37 6.91 85.55 Favored Glycine 0 CA--C 1.53 1.029 0 C-N-CA 125.018 1.294 . . . . 0.0 114.699 -178.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.6 mt -108.69 163.25 13.42 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.219 1.408 . . . . 0.0 113.106 178.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.09 160.57 39.63 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 127.375 2.27 . . . . 0.0 110.278 164.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 55.6 mt -72.58 116.43 14.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 O-C-N 121.583 -0.698 . . . . 0.0 109.265 174.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.49 -38.31 4.26 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 123.951 0.786 . . . . 0.0 114.436 -175.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -153.23 145.67 24.07 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.294 1.037 . . . . 0.0 111.703 -173.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 41.4 t -134.21 112.11 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 C-N-CA 125.514 1.526 . . . . 0.0 108.17 174.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -110.55 91.45 3.66 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.546 1.539 . . . . 0.0 110.896 -175.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -69.83 -12.12 61.38 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.109 1.364 . . . . 0.0 113.463 -173.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 59.6 mtt85 -61.86 -29.79 70.42 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.661 1.184 . . . . 0.0 112.233 171.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.8 m -129.74 -8.4 4.52 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.732 1.613 . . . . 0.0 114.017 -177.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.2 25.9 67.55 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 124.606 1.098 . . . . 0.0 114.234 -177.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.6 t -94.79 127.89 46.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 CA-C-N 118.362 1.081 . . . . 0.0 111.368 -177.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 92.5 mt -108.79 112.01 38.56 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 C-N-CA 126.347 1.859 . . . . 0.0 108.404 173.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.3 m -100.42 123.86 45.19 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.504 0.722 . . . . 0.0 110.879 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.9 mt -91.07 151.83 20.87 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.082 0.953 . . . . 0.0 111.134 173.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -131.92 151.5 35.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 125.583 1.553 . . . . 0.0 110.509 178.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.9 mp0 -69.37 127.87 34.57 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.783 0.833 . . . . 0.0 111.129 176.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.547 0.853 0 C-N-CA 123.673 0.789 . . . . 0.0 112.691 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 5.4 mpp? . . . . . 0 CA--C 1.541 0.609 0 N-CA-C 114.09 1.144 . . . . 0.0 114.09 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.61 -179.82 5.52 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.404 1.481 . . . . 0.0 112.72 172.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -137.29 143.42 42.13 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.516 1.526 . . . . 0.0 111.752 168.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 89.4 t -100.86 145.82 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 125.369 1.468 . . . . 0.0 111.011 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 9.7 p -133.49 143.67 38.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 125.681 1.592 . . . . 0.0 111.8 168.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp -147.91 155.53 41.69 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.684 1.594 . . . . 0.0 112.284 177.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 22.0 m -110.3 132.05 54.52 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.77 1.228 . . . . 0.0 110.854 176.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -81.09 162.02 23.9 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.161 1.784 . . . . 0.0 112.493 178.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.76 -22.98 66.96 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.04 0.936 . . . . 0.0 113.509 173.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -74.94 -7.38 53.4 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.125 1.37 . . . . 0.0 114.067 173.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.13 -6.37 79.65 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 125.262 1.411 . . . . 0.0 114.931 -175.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.52 168.65 54.48 Favored Glycine 0 CA--C 1.533 1.211 0 CA-C-N 118.421 1.11 . . . . 0.0 112.553 169.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -127.82 153.23 46.84 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.675 1.19 . . . . 0.0 112.847 -178.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 75.6 t -134.15 142.05 42.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 126.095 1.758 . . . . 0.0 109.222 -177.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -129.03 149.79 50.7 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.793 1.237 . . . . 0.0 111.861 176.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -128.81 112.33 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 125.208 1.403 . . . . 0.0 108.337 174.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.29 154.9 26.71 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 124.019 0.819 . . . . 0.0 114.234 -176.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 52.15 48.14 23.3 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 126.177 1.791 . . . . 0.0 113.737 171.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 34.8 m -75.6 135.14 27.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 O-C-N 120.833 -1.167 . . . . 0.0 112.314 -176.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 92.1 mt -80.95 -31.16 35.04 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.69 1.196 . . . . 0.0 111.823 172.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -160.21 147.13 16.0 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.989 0.916 . . . . 0.0 112.923 -174.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t -134.29 138.86 49.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 126.042 1.737 . . . . 0.0 109.472 170.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -133.1 140.75 47.81 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 126.71 2.004 . . . . 0.0 110.458 -175.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.607 0 C-N-CA 124.604 1.162 . . . . 0.0 111.154 167.991 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.781 0 CA-C-O 121.411 0.624 . . . . 0.0 112.669 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -110.92 145.87 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 125.162 1.385 . . . . 0.0 110.825 161.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -130.26 148.86 52.14 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.1 1.76 . . . . 0.0 110.502 173.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -154.07 141.3 12.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 123.509 0.724 . . . . 0.0 112.696 -173.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 85.1 m -122.81 136.86 55.01 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.257 1.423 . . . . 0.0 112.04 -174.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 44.7 p -101.32 166.36 10.79 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.804 1.642 . . . . 0.0 113.525 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -64.52 -12.97 50.02 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 114.252 1.205 . . . . 0.0 114.252 171.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -79.44 2.76 20.68 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.227 1.411 . . . . 0.0 113.353 175.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.8 t0 60.14 23.81 13.1 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 126.149 1.78 . . . . 0.0 113.059 -167.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -99.73 136.12 40.13 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.495 1.518 . . . . 0.0 110.582 174.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -122.31 146.0 47.72 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.295 1.438 . . . . 0.0 111.696 -177.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -128.55 156.01 43.99 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 126.094 1.758 . . . . 0.0 111.109 -174.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.38 140.24 31.97 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.844 1.258 . . . . 0.0 111.814 178.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -139.21 92.19 10.82 Favored Pre-proline 0 CA--C 1.543 0.677 0 C-N-CA 125.744 1.618 . . . . 0.0 110.89 -173.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -62.23 148.6 92.95 Favored 'Trans proline' 0 CA--C 1.537 0.638 0 C-N-CA 123.599 2.866 . . . . 0.0 113.988 176.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.25 1.46 88.17 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 125.524 1.535 . . . . 0.0 114.783 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 54.5 mt -102.52 162.69 12.72 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 118.833 1.317 . . . . 0.0 112.995 177.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.26 158.95 43.21 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 128.153 2.581 . . . . 0.0 109.876 165.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 50.8 mt -70.66 118.91 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 O-C-N 121.233 -0.917 . . . . 0.0 109.503 177.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.31 -48.55 3.73 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 124.525 1.059 . . . . 0.0 113.31 -176.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -152.98 160.14 42.99 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.921 0.888 . . . . 0.0 113.309 179.109 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 25.9 t -131.49 110.19 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 126.408 1.883 . . . . 0.0 107.748 171.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -102.23 100.84 11.07 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.553 1.141 . . . . 0.0 111.098 179.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -75.28 -11.88 60.16 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.176 0.99 . . . . 0.0 113.543 -177.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 37.2 mtt85 -68.21 -27.11 66.1 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.19 0.996 . . . . 0.0 112.544 172.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 93.7 p -126.45 -15.53 5.6 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.622 1.569 . . . . 0.0 114.715 -177.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.13 15.05 79.59 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 124.842 1.21 . . . . 0.0 114.093 -174.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 89.1 t -88.9 123.57 41.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 CA-C-N 119.099 1.449 . . . . 0.0 111.683 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 97.5 mt -96.78 131.71 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 126.345 1.858 . . . . 0.0 107.6 163.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 8.4 t -122.23 133.29 54.71 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.522 0.601 . . . . 0.0 111.195 177.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 25.1 mt -98.85 149.64 22.7 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.74 1.216 . . . . 0.0 111.816 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -132.31 160.45 42.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 126.094 1.758 . . . . 0.0 110.854 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -70.68 133.22 46.45 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 121.714 -0.616 . . . . 0.0 111.635 176.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.545 0.787 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 -173.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.65 0 CA-C-O 121.671 0.748 . . . . 0.0 112.734 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -126.5 133.31 51.19 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 126.613 1.965 . . . . 0.0 111.055 171.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 18.5 t -100.0 143.08 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 126.063 1.745 . . . . 0.0 110.762 -174.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -137.29 141.11 40.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 125.361 1.464 . . . . 0.0 111.379 168.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.542 0.663 0 C-N-CA 125.221 1.409 . . . . 0.0 112.724 -176.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.5 t . . . . . 0 N--CA 1.477 0.879 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -132.46 135.5 46.09 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.951 1.7 . . . . 0.0 110.697 177.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.5 mt -137.33 123.45 27.38 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 C-N-CA 125.054 1.342 . . . . 0.0 110.126 -173.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -95.84 169.1 26.7 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.484 1.04 . . . . 0.0 113.753 176.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 54.61 39.03 30.94 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.646 1.578 . . . . 0.0 113.861 177.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 84.8 t -75.81 114.2 15.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 125.088 1.355 . . . . 0.0 110.529 -177.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 27.4 tp -84.65 -27.84 26.85 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 126.013 1.725 . . . . 0.0 112.729 -176.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -159.67 148.61 17.81 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.79 1.236 . . . . 0.0 112.675 175.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.5 m -132.81 147.09 31.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 125.222 1.409 . . . . 0.0 111.417 170.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -143.3 131.92 22.46 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.137 1.375 . . . . 0.0 111.934 175.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.817 0 C-N-CA 124.006 0.922 . . . . 0.0 110.364 159.891 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.669 0 CA-C-O 120.403 0.145 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 82.3 t -117.93 142.63 31.49 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 C-N-CA 123.982 0.913 . . . . 0.0 111.026 167.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -122.31 140.97 52.03 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 126.388 1.875 . . . . 0.0 110.025 174.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.5 m -137.48 140.2 42.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.16 0.984 . . . . 0.0 111.118 -177.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.3 m -129.62 131.93 46.61 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.501 1.121 . . . . 0.0 110.493 -174.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.4 p -97.1 161.0 14.02 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.464 1.106 . . . . 0.0 111.426 174.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.96 -3.86 14.48 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.928 1.455 . . . . 0.0 114.928 176.07 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -80.83 6.06 14.18 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.071 1.349 . . . . 0.0 113.588 171.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 62.72 10.44 4.2 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 127.0 2.12 . . . . 0.0 114.484 -169.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -80.9 133.3 35.53 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.438 1.095 . . . . 0.0 110.226 170.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -131.89 145.61 51.63 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.561 1.544 . . . . 0.0 110.877 -177.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -133.14 155.32 49.49 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.677 1.591 . . . . 0.0 111.395 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -138.54 137.42 37.03 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.719 1.208 . . . . 0.0 110.935 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -137.54 98.11 10.08 Favored Pre-proline 0 CA--C 1.545 0.787 0 C-N-CA 125.033 1.333 . . . . 0.0 110.926 -172.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -63.17 150.03 89.74 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 123.424 2.749 . . . . 0.0 114.142 175.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.5 8.0 81.34 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 125.121 1.343 . . . . 0.0 114.64 175.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.9 mt -117.89 162.03 18.79 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.181 1.392 . . . . 0.0 112.555 -176.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.1 159.19 42.72 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 127.724 2.409 . . . . 0.0 109.541 167.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 20.1 mt -71.86 123.88 27.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 O-C-N 121.05 -1.031 . . . . 0.0 108.961 177.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -103.64 -39.85 2.47 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 124.83 1.205 . . . . 0.0 114.453 -174.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -151.8 144.7 24.44 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 118.385 1.093 . . . . 0.0 111.792 -174.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.1 t -135.97 123.3 34.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 125.734 1.613 . . . . 0.0 109.345 175.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -131.35 100.64 5.24 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.349 1.06 . . . . 0.0 111.089 -174.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -75.42 -10.97 59.93 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.251 1.42 . . . . 0.0 113.146 -171.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -64.9 -25.83 68.06 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.858 1.263 . . . . 0.0 112.17 173.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.5 m -133.12 1.39 3.52 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.082 1.753 . . . . 0.0 113.465 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.08 23.94 76.0 Favored Glycine 0 CA--C 1.536 1.403 0 C-N-CA 125.077 1.322 . . . . 0.0 114.983 -177.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.7 t -86.36 135.0 26.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 CA-C-N 118.872 1.336 . . . . 0.0 111.823 -174.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 86.3 mt -117.0 130.99 71.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 127.113 2.165 . . . . 0.0 108.278 167.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.9 t -128.86 128.92 44.82 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.316 1.046 . . . . 0.0 111.166 -176.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.8 mp -96.41 151.25 19.73 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.695 1.198 . . . . 0.0 110.767 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -131.5 158.96 43.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 126.349 1.86 . . . . 0.0 110.642 177.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -67.59 133.4 49.35 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.447 -0.783 . . . . 0.0 111.588 177.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? . . . . . 0 N--CA 1.477 0.921 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 -169.502 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 4.5 mpp? . . . . . 0 N--CA 1.471 0.611 0 CA-C-O 121.552 0.691 . . . . 0.0 112.118 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.18 171.87 13.79 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.784 1.234 . . . . 0.0 112.859 178.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -122.82 141.62 51.65 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.466 1.106 . . . . 0.0 111.372 160.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 24.1 t -98.55 141.99 15.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 125.547 1.539 . . . . 0.0 110.218 177.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.5 p -127.48 139.29 52.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 124.968 1.307 . . . . 0.0 111.285 168.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 pp -149.96 160.36 43.67 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.993 1.317 . . . . 0.0 112.887 -175.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 13.5 m -110.18 130.87 55.47 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.797 1.239 . . . . 0.0 109.724 172.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -77.1 163.48 26.58 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.271 1.428 . . . . 0.0 112.468 176.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.36 -25.12 65.62 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 171.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -76.03 -5.17 45.17 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.553 1.541 . . . . 0.0 114.168 172.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.83 -6.94 72.09 Favored Glycine 0 CA--C 1.539 1.563 0 C-N-CA 125.434 1.492 . . . . 0.0 115.691 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.55 162.78 53.42 Favored Glycine 0 CA--C 1.538 1.5 0 CA-C-N 118.499 1.149 . . . . 0.0 112.165 170.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -118.38 152.81 35.13 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.191 0.996 . . . . 0.0 113.32 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 99.8 t -135.99 141.94 40.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 125.755 1.622 . . . . 0.0 109.62 -174.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -123.29 142.51 50.87 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.807 1.243 . . . . 0.0 111.58 171.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 63.3 mt -134.01 107.63 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 125.325 1.45 . . . . 0.0 108.778 -174.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.0 178.05 53.68 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 123.98 0.8 . . . . 0.0 113.758 177.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 58.96 32.56 22.38 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 169.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 72.3 t -78.9 124.71 37.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 125.809 1.644 . . . . 0.0 112.354 -175.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 78.3 mt -84.4 -37.92 20.89 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.607 1.163 . . . . 0.0 112.274 170.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -156.11 148.99 24.1 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 118.929 0.786 . . . . 0.0 113.039 -171.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 38.9 t -135.33 135.93 51.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 126.508 1.923 . . . . 0.0 109.906 175.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -136.66 125.3 23.77 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.815 1.246 . . . . 0.0 111.165 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.567 0 C-N-CA 124.631 1.172 . . . . 0.0 110.26 166.684 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.38 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 50.2 t -115.75 137.75 48.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 123.407 0.683 . . . . 0.0 110.74 164.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -116.99 150.82 37.95 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 126.034 1.734 . . . . 0.0 111.223 174.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.73 142.57 40.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 125.951 1.7 . . . . 0.0 110.907 -176.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 86.8 m -123.98 133.21 53.74 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.788 1.235 . . . . 0.0 110.302 173.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 40.2 p -104.26 164.6 11.61 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.934 1.293 . . . . 0.0 112.737 178.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 pp -64.27 -15.97 61.17 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 177.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -76.66 1.61 16.5 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.352 1.461 . . . . 0.0 113.642 172.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 24.6 t0 60.66 19.04 9.04 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 127.007 2.123 . . . . 0.0 113.84 -169.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -84.86 143.87 28.77 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 124.602 1.161 . . . . 0.0 110.513 170.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -122.32 148.36 45.13 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.802 1.241 . . . . 0.0 112.042 -178.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -134.08 154.37 51.22 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.146 1.378 . . . . 0.0 111.432 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -140.95 138.22 33.64 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.003 1.321 . . . . 0.0 112.188 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -139.05 92.27 10.96 Favored Pre-proline 0 CA--C 1.544 0.746 0 C-N-CA 125.51 1.524 . . . . 0.0 110.785 -173.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -69.66 149.7 67.84 Favored 'Trans proline' 0 CA--C 1.536 0.613 0 C-N-CA 123.08 2.52 . . . . 0.0 112.646 178.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.53 5.07 85.1 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 125.59 1.567 . . . . 0.0 114.684 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 76.8 mt -109.73 162.46 14.43 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.943 1.297 . . . . 0.0 113.605 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.5 159.08 42.94 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 127.774 2.43 . . . . 0.0 109.38 166.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 37.6 mt -73.91 121.97 26.07 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.848 0 O-C-N 121.246 -0.909 . . . . 0.0 108.952 178.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.91 -46.59 3.1 Favored Glycine 0 CA--C 1.53 1.031 0 C-N-CA 124.723 1.154 . . . . 0.0 114.405 -175.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 7.1 ptt-85 -157.64 164.27 37.39 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.405 1.082 . . . . 0.0 113.057 177.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 5.0 t -135.12 122.65 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 123.959 0.903 . . . . 0.0 110.033 169.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -100.84 88.08 3.48 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.164 1.385 . . . . 0.0 110.132 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -68.2 -10.3 53.39 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 120.911 -1.118 . . . . 0.0 112.887 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 48.3 mtm105 -59.47 -24.96 64.01 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 126.066 1.746 . . . . 0.0 113.637 164.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.1 t -136.63 -16.54 1.53 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.268 1.427 . . . . 0.0 114.072 -173.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.49 22.36 58.61 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 124.953 1.264 . . . . 0.0 113.995 -175.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 65.1 t -93.95 122.16 45.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 124.191 0.996 . . . . 0.0 111.374 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 86.1 mt -96.68 127.43 48.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 C-N-CA 125.74 1.616 . . . . 0.0 108.18 166.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 30.1 t -116.38 125.35 51.94 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.992 0.917 . . . . 0.0 111.486 -177.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.9 mp -101.28 145.97 28.16 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.33 1.452 . . . . 0.0 110.73 177.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -134.79 160.99 41.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 126.643 1.977 . . . . 0.0 110.493 -178.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 28.5 mp0 -65.6 131.44 46.38 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.247 -0.908 . . . . 0.0 111.995 178.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? . . . . . 0 N--CA 1.482 1.165 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -176.145 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 0.991 0 CA-C-O 121.398 0.618 . . . . 0.0 112.368 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -128.96 154.74 46.28 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.568 1.147 . . . . 0.0 111.548 161.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.2 t -100.74 146.45 9.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.316 1.046 . . . . 0.0 110.384 171.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.5 p -134.19 141.73 42.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 125.139 1.376 . . . . 0.0 111.456 170.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 CA--C 1.537 0.477 0 C-N-CA 124.954 1.302 . . . . 0.0 112.177 179.47 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.0 t . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -128.09 147.67 50.54 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.25 1.42 . . . . 0.0 111.636 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.0 mt -131.56 101.95 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 125.261 1.424 . . . . 0.0 108.855 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.26 157.14 46.11 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 124.36 0.981 . . . . 0.0 113.711 -178.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 52.92 46.32 27.01 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 126.327 1.851 . . . . 0.0 114.128 173.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.0 p -73.81 135.34 27.74 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 124.995 1.318 . . . . 0.0 112.385 -177.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.4 mt -90.76 -39.62 12.29 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.747 1.219 . . . . 0.0 112.539 175.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 73.8 tt0 -154.23 146.38 23.73 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.759 -0.588 . . . . 0.0 112.061 -173.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.4 t -135.92 138.33 47.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 125.656 1.583 . . . . 0.0 110.297 175.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -134.54 137.05 43.49 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.297 1.439 . . . . 0.0 111.434 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.57 0 C-N-CA 125.656 1.582 . . . . 0.0 110.668 176.753 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.569 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.8 t -106.85 137.6 36.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 123.469 0.708 . . . . 0.0 111.77 179.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -116.64 149.85 39.07 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.644 1.977 . . . . 0.0 110.211 175.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.7 t -139.48 142.05 33.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 125.222 1.409 . . . . 0.0 110.493 -174.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.4 m -129.87 135.59 48.55 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.098 1.359 . . . . 0.0 111.045 177.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.8 p -124.52 166.65 15.68 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.734 1.214 . . . . 0.0 113.269 -174.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -62.92 -14.08 42.39 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 115.606 1.706 . . . . 0.0 115.606 -177.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -79.61 5.67 12.54 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.964 1.306 . . . . 0.0 113.492 174.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.6 t0 60.02 26.28 15.59 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.982 2.113 . . . . 0.0 112.908 -168.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -93.87 153.32 18.32 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.185 1.394 . . . . 0.0 112.179 173.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -131.87 144.98 51.27 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 125.214 1.406 . . . . 0.0 111.581 177.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -137.1 152.15 49.69 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.923 1.689 . . . . 0.0 111.084 -173.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -145.85 141.28 27.73 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.855 0.862 . . . . 0.0 112.603 -178.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -141.11 94.12 7.91 Favored Pre-proline 0 CA--C 1.545 0.772 0 C-N-CA 126.109 1.764 . . . . 0.0 111.11 -170.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -63.07 151.71 83.34 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 123.48 2.787 . . . . 0.0 113.456 172.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.75 9.08 83.52 Favored Glycine 0 CA--C 1.53 1.029 0 C-N-CA 125.352 1.453 . . . . 0.0 115.051 177.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 72.5 mt -118.76 161.87 19.39 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.308 1.443 . . . . 0.0 113.561 -177.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -144.54 159.22 43.13 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 127.123 2.169 . . . . 0.0 109.753 166.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.0 mt -71.43 117.01 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 O-C-N 121.035 -1.04 . . . . 0.0 108.756 177.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.94 -35.88 8.78 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 125.308 1.432 . . . . 0.0 113.94 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -159.57 160.53 34.54 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 118.086 0.943 . . . . 0.0 112.191 170.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.1 t -128.72 124.08 60.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 124.067 0.947 . . . . 0.0 108.988 163.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -116.84 107.73 14.98 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.482 1.513 . . . . 0.0 110.333 -176.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -82.34 -12.28 58.07 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.778 1.231 . . . . 0.0 112.892 -174.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.4 mtm180 -72.29 -40.92 67.19 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.579 1.152 . . . . 0.0 110.836 175.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 80.4 p -96.23 -22.98 16.92 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.839 1.656 . . . . 0.0 113.811 176.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.9 41.75 14.03 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 124.594 1.092 . . . . 0.0 113.012 -176.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 76.7 t -125.76 130.16 72.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 124.629 1.172 . . . . 0.0 112.263 -173.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.8 mt -97.21 128.14 48.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 126.646 1.978 . . . . 0.0 107.884 166.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.0 t -119.46 128.54 54.1 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.831 0.852 . . . . 0.0 111.111 -177.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.4 mt -100.65 147.5 25.91 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.375 1.07 . . . . 0.0 111.96 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -133.28 161.02 42.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 126.639 1.976 . . . . 0.0 110.681 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -67.75 128.02 34.95 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 121.452 -0.78 . . . . 0.0 111.319 177.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? . . . . . 0 N--CA 1.472 0.648 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 -171.31 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 4.1 mpp? . . . . . 0 CA--C 1.544 0.723 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.39 161.21 28.05 Favored 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 -159.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.79 127.82 53.89 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 125.125 1.37 . . . . 0.0 110.272 165.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 79.2 t -101.16 139.57 22.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 125.562 1.545 . . . . 0.0 109.614 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 14.6 p -130.03 145.11 36.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 125.449 1.499 . . . . 0.0 112.763 174.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp -147.8 158.24 43.93 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.603 1.561 . . . . 0.0 112.267 178.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 32.7 m -114.91 131.3 56.92 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.842 1.257 . . . . 0.0 110.859 175.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -82.67 161.66 22.09 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.415 1.886 . . . . 0.0 112.813 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.27 -23.05 66.94 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 174.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 44.6 p30 -79.43 -1.12 35.83 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.398 1.079 . . . . 0.0 113.906 174.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.45 -6.07 84.0 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 125.793 1.663 . . . . 0.0 115.568 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.7 170.81 54.95 Favored Glycine 0 CA--C 1.537 1.42 0 CA-C-N 118.941 1.371 . . . . 0.0 113.18 171.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 70.4 mtm180 -125.84 155.2 41.53 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.677 1.191 . . . . 0.0 112.645 177.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 68.0 t -134.08 141.4 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 126.001 1.72 . . . . 0.0 109.593 -178.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -131.98 146.02 51.83 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.09 1.356 . . . . 0.0 111.799 178.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -130.95 121.14 49.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 125.46 1.504 . . . . 0.0 108.814 174.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.68 166.72 22.85 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 125.144 1.354 . . . . 0.0 114.352 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 52.36 39.39 27.32 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 125.867 1.667 . . . . 0.0 113.336 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -69.7 117.43 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 C-N-CA 125.296 1.438 . . . . 0.0 110.701 -178.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 77.3 mt -78.19 -34.9 49.24 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.388 1.075 . . . . 0.0 111.743 171.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -155.14 143.02 19.97 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.155 0.982 . . . . 0.0 112.189 178.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 7.3 p -125.27 139.77 50.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 125.931 1.692 . . . . 0.0 109.307 167.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 78.4 mtm-85 -136.3 141.85 43.86 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.787 1.635 . . . . 0.0 110.383 -169.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 C-N-CA 125.282 1.433 . . . . 0.0 110.748 -177.85 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.667 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 68.5 t -115.94 146.79 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 124.424 1.09 . . . . 0.0 112.206 177.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -130.13 152.99 48.97 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.155 1.782 . . . . 0.0 111.391 171.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 16.7 m -130.32 152.89 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 125.74 1.616 . . . . 0.0 111.559 176.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 85.4 m -132.06 126.31 33.51 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.255 1.422 . . . . 0.0 110.121 173.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 17.6 p -94.54 170.25 9.61 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.213 1.005 . . . . 0.0 113.538 -176.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 59.2 tp -50.09 -30.17 10.47 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 127.191 2.197 . . . . 0.0 114.082 169.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -92.41 10.82 28.38 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.444 1.498 . . . . 0.0 113.281 -178.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 59.3 18.53 6.76 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.562 1.945 . . . . 0.0 114.393 -171.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -76.73 143.57 39.86 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 120.9 -1.125 . . . . 0.0 110.528 172.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -121.73 145.34 48.13 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 124.631 1.173 . . . . 0.0 112.604 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -138.28 154.37 49.04 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.608 1.563 . . . . 0.0 110.639 171.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.38 144.15 34.36 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.822 1.249 . . . . 0.0 112.732 -177.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -141.42 96.55 6.98 Favored Pre-proline 0 CA--C 1.544 0.716 0 C-N-CA 125.597 1.559 . . . . 0.0 111.329 -168.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -64.52 148.78 90.64 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 123.434 2.756 . . . . 0.0 113.317 176.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.28 5.4 89.65 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 125.198 1.38 . . . . 0.0 114.855 177.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 42.5 mt -109.48 163.54 13.33 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.933 1.293 . . . . 0.0 113.581 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.58 157.51 44.37 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 127.715 2.406 . . . . 0.0 109.716 166.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 38.3 mt -69.28 123.19 22.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 O-C-N 121.184 -0.948 . . . . 0.0 109.059 176.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -105.9 -44.11 1.45 Allowed Glycine 0 C--N 1.34 0.757 0 N-CA-C 115.602 1.001 . . . . 0.0 115.602 -168.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -150.51 143.83 24.96 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.511 1.156 . . . . 0.0 111.677 -177.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 47.6 t -137.67 130.27 41.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 125.416 1.486 . . . . 0.0 109.067 -176.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -131.0 110.57 11.33 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 122.151 0.977 . . . . 0.0 111.626 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -81.25 -13.8 58.13 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.327 1.451 . . . . 0.0 112.565 -172.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 35.4 mtm180 -72.74 -23.8 60.88 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.991 1.316 . . . . 0.0 112.403 174.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 41.8 m -123.5 -14.11 7.42 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.536 1.534 . . . . 0.0 114.221 -177.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.58 29.38 63.75 Favored Glycine 0 CA--C 1.539 1.545 0 CA-C-N 119.372 0.987 . . . . 0.0 113.667 -176.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 86.0 t -104.99 138.87 27.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 125.403 1.481 . . . . 0.0 111.123 -176.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 71.8 mt -123.63 138.09 54.62 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 C-N-CA 126.397 1.879 . . . . 0.0 108.968 172.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 32.4 t -127.12 132.91 50.49 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.72 1.208 . . . . 0.0 111.606 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 27.0 mt -93.62 153.1 18.58 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.959 1.303 . . . . 0.0 112.144 176.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -131.02 158.97 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 125.981 1.712 . . . . 0.0 110.672 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -68.67 131.79 45.78 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 121.764 -0.585 . . . . 0.0 111.117 173.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? . . . . . 0 N--CA 1.479 0.979 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 -172.522 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.625 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 56.2 pttt -127.18 150.05 49.69 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.994 0.918 . . . . 0.0 111.24 162.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.7 t -104.02 139.0 26.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 125.462 1.505 . . . . 0.0 110.335 173.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.3 p -131.71 146.49 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 125.471 1.509 . . . . 0.0 111.383 172.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 pp . . . . . 0 N--CA 1.467 0.422 0 C-N-CA 125.057 1.343 . . . . 0.0 112.292 177.923 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 41.4 t . . . . . 0 N--CA 1.476 0.842 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -130.13 146.66 51.79 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.915 1.286 . . . . 0.0 112.144 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -131.21 109.5 16.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 126.283 1.833 . . . . 0.0 108.158 178.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.81 158.56 28.42 Favored Glycine 0 CA--C 1.533 1.205 0 C-N-CA 124.045 0.831 . . . . 0.0 114.595 -175.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 52.68 51.41 16.08 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 126.292 1.837 . . . . 0.0 113.641 172.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.5 t -73.92 126.67 35.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 127.942 2.497 . . . . 0.0 111.926 -178.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.8 mt -88.42 -28.85 20.63 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.342 1.057 . . . . 0.0 113.213 167.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -155.33 140.94 17.93 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.069 0.948 . . . . 0.0 111.986 -173.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.8 p -141.5 148.23 21.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 125.036 1.335 . . . . 0.0 110.302 169.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.6 ptt85 -155.37 141.12 18.05 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.94 0.896 . . . . 0.0 113.313 177.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.483 0 C-N-CA 125.875 1.67 . . . . 0.0 108.899 166.866 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.349 0 CA-C-O 119.608 -0.234 . . . . 0.0 111.459 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.2 t -92.82 138.92 18.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-N 118.149 0.431 . . . . 0.0 110.581 164.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 72.0 mtt85 -125.25 144.77 50.3 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.456 1.503 . . . . 0.0 110.237 171.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.3 p -145.03 143.96 22.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.432 1.093 . . . . 0.0 111.588 -172.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.2 m -128.81 131.53 47.76 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.694 1.597 . . . . 0.0 110.91 -175.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 41.3 p -96.38 169.06 10.18 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 125.038 1.335 . . . . 0.0 112.729 178.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -61.47 -14.92 32.67 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 114.886 1.439 . . . . 0.0 114.886 173.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -79.54 -2.98 44.77 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.671 1.188 . . . . 0.0 113.297 174.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 61.23 13.89 5.18 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.036 1.734 . . . . 0.0 113.951 -162.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -78.55 146.08 34.46 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.448 1.099 . . . . 0.0 110.66 169.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -131.16 152.85 50.03 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 125.189 1.396 . . . . 0.0 113.281 -172.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 -138.59 155.05 48.68 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.477 1.511 . . . . 0.0 111.519 178.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -139.28 141.89 37.75 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 125.137 1.375 . . . . 0.0 111.899 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -140.14 91.68 9.94 Favored Pre-proline 0 CA--C 1.546 0.813 0 C-N-CA 125.806 1.642 . . . . 0.0 110.961 -172.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -67.69 148.97 78.74 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 123.522 2.815 . . . . 0.0 112.918 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.13 -0.1 89.94 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 125.113 1.34 . . . . 0.0 114.981 -177.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 49.0 mt -103.92 163.39 12.39 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.813 1.307 . . . . 0.0 113.389 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.18 162.55 35.0 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 127.713 2.405 . . . . 0.0 110.099 163.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 40.4 mt -71.0 121.3 20.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 O-C-N 121.148 -0.97 . . . . 0.0 109.079 175.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.58 -46.82 2.44 Favored Glycine 0 N--CA 1.467 0.732 0 C-N-CA 124.93 1.252 . . . . 0.0 114.033 -172.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -149.1 155.9 41.41 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.971 1.308 . . . . 0.0 111.424 -178.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.5 t -139.53 126.98 25.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 124.061 0.944 . . . . 0.0 110.193 166.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -105.77 92.88 4.36 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.899 1.68 . . . . 0.0 110.218 175.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -68.21 -18.37 64.56 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.225 -0.922 . . . . 0.0 112.761 -178.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 43.3 mtt85 -60.26 -27.27 67.11 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.102 1.361 . . . . 0.0 112.769 170.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 31.1 m -128.5 -9.42 5.13 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.267 1.427 . . . . 0.0 114.62 -173.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.83 21.13 79.03 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.477 1.037 . . . . 0.0 114.61 -177.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 53.8 t -100.46 119.93 49.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 CA-C-N 119.118 1.459 . . . . 0.0 111.266 -176.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 12.7 mt -97.8 135.42 32.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 126.651 1.98 . . . . 0.0 108.146 168.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.1 t -126.61 130.46 50.53 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.691 1.196 . . . . 0.0 111.512 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.8 mt -96.24 154.27 17.35 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.675 1.19 . . . . 0.0 112.564 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -133.25 156.86 42.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 126.272 1.829 . . . . 0.0 110.654 176.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -75.08 133.32 41.59 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.083 -1.01 . . . . 0.0 112.016 175.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.839 0 C-N-CA 124.447 1.099 . . . . 0.0 113.924 -175.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 4.9 mpp? . . . . . 0 N--CA 1.47 0.558 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.43 176.58 9.58 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.981 1.312 . . . . 0.0 112.362 171.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -125.17 146.05 49.68 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 126.046 1.738 . . . . 0.0 111.242 163.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 54.5 t -105.13 143.67 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 125.117 1.367 . . . . 0.0 110.459 177.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 10.4 p -136.88 141.88 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.598 1.559 . . . . 0.0 111.694 171.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -153.18 160.02 42.77 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.505 1.522 . . . . 0.0 112.879 -177.488 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 15.2 m -114.15 128.42 56.37 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.272 1.429 . . . . 0.0 109.71 170.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -77.21 163.53 26.45 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.005 1.722 . . . . 0.0 112.209 178.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.0 -26.41 67.58 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.089 0.956 . . . . 0.0 113.533 175.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -78.11 -1.91 34.81 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 125.021 1.328 . . . . 0.0 113.848 173.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.69 -4.86 80.91 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 125.939 1.733 . . . . 0.0 115.775 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.51 154.17 43.64 Favored Glycine 0 CA--C 1.534 1.222 0 CA-C-N 118.869 1.335 . . . . 0.0 112.535 172.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -110.56 150.23 29.24 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.128 0.971 . . . . 0.0 113.195 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 97.6 t -131.44 140.44 48.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 126.152 1.781 . . . . 0.0 109.792 -178.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -130.62 143.12 50.54 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.289 1.436 . . . . 0.0 111.383 175.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 37.4 mt -131.76 124.23 53.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 125.019 1.328 . . . . 0.0 108.974 -178.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -95.41 166.39 25.46 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 124.376 0.989 . . . . 0.0 114.302 176.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 53.16 44.75 29.87 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 126.012 1.725 . . . . 0.0 113.627 176.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 81.7 t -76.03 119.83 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 124.91 1.284 . . . . 0.0 111.633 -176.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 98.6 mt -80.93 -31.57 34.98 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.958 1.303 . . . . 0.0 113.054 173.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -159.55 146.21 16.49 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 118.706 0.684 . . . . 0.0 111.927 -170.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 19.7 m -134.63 153.54 35.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 124.622 1.169 . . . . 0.0 111.842 166.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -144.63 131.22 19.94 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.726 1.21 . . . . 0.0 111.531 174.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.729 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 156.252 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.466 0 N-CA-C 111.536 0.198 . . . . 0.0 111.536 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 73.2 t -99.42 123.81 52.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 O-C-N 121.81 -0.556 . . . . 0.0 111.639 158.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -89.15 148.29 23.74 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.51 1.524 . . . . 0.0 111.329 165.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 10.5 t -135.74 143.61 35.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 125.871 1.669 . . . . 0.0 109.668 171.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 23.5 m -125.87 132.1 52.25 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.147 1.379 . . . . 0.0 110.087 174.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 30.4 p -101.66 165.99 10.93 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.328 1.051 . . . . 0.0 113.446 -178.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 69.1 tp -49.51 -28.81 5.85 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 127.165 2.186 . . . . 0.0 113.945 174.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -86.63 9.1 19.68 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 126.04 1.736 . . . . 0.0 113.752 -178.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 62.02 13.48 5.7 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 127.003 2.121 . . . . 0.0 114.878 -173.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -79.03 161.29 26.7 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.203 1.001 . . . . 0.0 111.808 168.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -133.83 153.93 51.38 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.761 1.224 . . . . 0.0 113.166 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -130.2 154.17 47.82 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 126.115 1.766 . . . . 0.0 110.219 172.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.06 136.25 31.84 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.277 1.031 . . . . 0.0 111.307 175.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -132.2 90.71 33.89 Favored Pre-proline 0 CA--C 1.54 0.593 0 C-N-CA 125.351 1.46 . . . . 0.0 110.726 -173.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -63.3 144.08 90.6 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 122.882 2.388 . . . . 0.0 113.166 -178.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.04 -1.17 88.98 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 125.65 1.595 . . . . 0.0 115.151 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 50.7 mt -97.68 164.25 12.49 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 119.307 1.554 . . . . 0.0 113.844 176.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.89 164.87 29.08 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 127.649 2.38 . . . . 0.0 110.449 160.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 22.6 mt -72.93 120.43 21.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 O-C-N 121.387 -0.821 . . . . 0.0 109.434 177.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -95.2 -38.21 4.89 Favored Glycine 0 CA--C 1.533 1.205 0 C-N-CA 124.153 0.882 . . . . 0.0 114.091 -175.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 59.5 ttt85 -153.21 145.01 23.52 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.645 1.578 . . . . 0.0 110.867 -175.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.0 t -127.79 126.09 66.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 123.52 0.728 . . . . 0.0 109.412 160.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -117.84 89.41 3.11 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 125.173 1.389 . . . . 0.0 110.341 -176.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -69.07 -11.24 60.61 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.721 1.608 . . . . 0.0 113.288 -170.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 58.4 mtt85 -63.5 -25.39 68.24 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.562 1.145 . . . . 0.0 112.615 169.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 29.4 t -129.75 -21.37 3.08 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.87 1.668 . . . . 0.0 113.398 -177.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.35 23.91 49.35 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 125.111 1.338 . . . . 0.0 113.852 -177.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 59.3 t -91.54 127.91 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 CA-C-N 118.266 1.033 . . . . 0.0 111.313 179.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 57.6 mt -101.97 122.93 54.81 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 C-N-CA 126.644 1.977 . . . . 0.0 108.108 167.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 24.3 m -112.22 128.68 56.32 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.063 0.945 . . . . 0.0 111.234 176.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 22.0 mt -97.44 153.29 18.21 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.795 0.838 . . . . 0.0 112.605 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -135.12 159.16 41.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 126.759 2.024 . . . . 0.0 110.464 178.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -73.26 132.19 42.84 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 120.957 -1.09 . . . . 0.0 111.767 174.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? . . . . . 0 N--CA 1.474 0.74 0 C-N-CA 123.837 0.855 . . . . 0.0 112.044 170.671 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.859 0 CA-C-O 121.474 0.654 . . . . 0.0 112.124 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.0 ptpt -123.41 144.69 49.33 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.065 1.746 . . . . 0.0 111.331 166.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 65.8 t -100.65 143.53 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 125.497 1.519 . . . . 0.0 110.622 178.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.4 p -128.62 143.38 41.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.534 1.533 . . . . 0.0 111.258 165.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 pp . . . . . 0 N--CA 1.47 0.55 0 C-N-CA 125.671 1.588 . . . . 0.0 111.713 177.041 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 87.2 t . . . . . 0 N--CA 1.476 0.852 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -132.87 151.4 52.04 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.585 1.154 . . . . 0.0 112.895 -178.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -132.38 115.86 26.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 125.575 1.55 . . . . 0.0 109.081 176.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.18 156.03 30.48 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 124.163 0.887 . . . . 0.0 114.154 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 53.92 48.41 21.3 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.575 1.55 . . . . 0.0 114.026 171.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.6 m -76.6 128.52 37.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 O-C-N 120.954 -1.091 . . . . 0.0 111.988 178.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 93.4 mt -78.03 -31.48 50.47 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.956 0.903 . . . . 0.0 111.17 171.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -157.54 146.84 19.96 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.732 1.213 . . . . 0.0 112.354 -174.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.4 t -140.33 134.3 34.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.7 1.6 . . . . 0.0 109.139 171.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.16 140.9 37.99 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 124.313 1.045 . . . . 0.0 112.563 179.291 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.658 0 C-N-CA 124.446 1.098 . . . . 0.0 110.232 163.535 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.691 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.9 t -98.84 144.99 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 123.712 0.805 . . . . 0.0 110.655 160.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 64.3 mtp180 -127.76 147.81 50.42 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.114 1.766 . . . . 0.0 111.374 170.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -146.69 146.11 19.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.743 1.217 . . . . 0.0 111.694 -172.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.6 m -123.76 130.98 53.47 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.065 1.346 . . . . 0.0 111.138 178.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 40.9 p -94.9 164.16 13.03 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.622 1.169 . . . . 0.0 114.13 -178.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.2 tp -49.83 -32.94 15.32 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.646 1.978 . . . . 0.0 113.092 168.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -82.37 8.06 12.42 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.35 1.86 . . . . 0.0 113.327 -179.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.9 t0 59.93 30.66 20.17 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 127.305 2.242 . . . . 0.0 114.13 -177.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -99.48 140.19 34.04 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.798 1.239 . . . . 0.0 111.223 173.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -97.21 143.38 28.06 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.665 0.745 . . . . 0.0 112.295 170.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -123.91 150.1 45.09 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 126.069 1.747 . . . . 0.0 110.589 170.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.05 138.08 31.52 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 124.675 1.19 . . . . 0.0 111.219 -178.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -139.94 91.22 10.41 Favored Pre-proline 0 CA--C 1.545 0.762 0 C-N-CA 125.033 1.333 . . . . 0.0 111.358 -170.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -61.01 146.3 97.94 Favored 'Trans proline' 0 CA--C 1.536 0.602 0 C-N-CA 123.413 2.742 . . . . 0.0 113.402 176.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.88 4.02 89.42 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 125.033 1.302 . . . . 0.0 115.276 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 45.9 mt -104.71 162.97 12.83 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 119.076 1.438 . . . . 0.0 113.536 176.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.35 160.81 39.35 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 127.595 2.358 . . . . 0.0 109.453 164.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 72.7 mt -73.01 122.55 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 O-C-N 120.829 -1.17 . . . . 0.0 109.552 177.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.06 -47.19 2.28 Favored Glycine 0 CA--C 1.527 0.842 0 C-N-CA 124.711 1.148 . . . . 0.0 114.065 -175.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -146.97 154.3 41.08 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 118.546 1.173 . . . . 0.0 112.711 -178.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.8 t -133.77 116.24 23.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 126.151 1.781 . . . . 0.0 109.37 169.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -103.3 90.33 3.68 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.219 1.408 . . . . 0.0 109.831 -179.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -66.77 -23.91 66.13 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.097 -1.002 . . . . 0.0 112.278 -178.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -65.73 -19.54 65.94 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.135 1.374 . . . . 0.0 113.915 170.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.0 m -124.19 -17.87 6.03 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.955 1.302 . . . . 0.0 114.406 -175.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.81 34.14 62.64 Favored Glycine 0 CA--C 1.533 1.2 0 CA-C-N 119.109 0.868 . . . . 0.0 113.457 -171.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.3 t -120.64 130.81 74.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.41 1.084 . . . . 0.0 111.537 -174.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 88.9 mt -106.72 136.12 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 126.64 1.976 . . . . 0.0 108.564 169.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.8 t -124.29 127.93 48.38 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.871 0.868 . . . . 0.0 111.26 177.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 27.2 mt -95.88 150.91 19.91 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.299 1.04 . . . . 0.0 111.699 176.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -132.03 161.34 41.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 126.268 1.827 . . . . 0.0 110.641 179.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -71.39 135.32 47.21 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 120.922 -1.111 . . . . 0.0 111.596 176.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.478 0.974 0 N-CA-C 114.387 1.255 . . . . 0.0 114.387 -176.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 5.2 mpp? . . . . . 0 CA--C 1.54 0.561 0 CA-C-O 121.314 0.578 . . . . 0.0 111.988 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -83.28 -179.19 7.32 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.856 1.262 . . . . 0.0 112.314 174.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -118.31 151.61 37.37 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.231 1.012 . . . . 0.0 111.937 158.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 76.4 t -103.02 144.83 13.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 124.722 1.209 . . . . 0.0 110.456 172.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 10.5 p -131.2 139.08 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 126.14 1.776 . . . . 0.0 110.769 169.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 pp -146.18 164.23 32.89 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.526 1.53 . . . . 0.0 111.442 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 20.6 m -121.96 129.16 52.27 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.135 0.974 . . . . 0.0 110.077 172.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -73.89 165.6 24.84 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.169 1.388 . . . . 0.0 112.062 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.07 -24.21 66.05 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 170.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -74.51 -6.4 48.18 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.717 1.607 . . . . 0.0 113.935 172.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.51 -5.16 84.34 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 125.996 1.76 . . . . 0.0 115.529 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.74 140.84 19.84 Favored Glycine 0 CA--C 1.535 1.308 0 CA-C-N 118.672 1.236 . . . . 0.0 112.883 175.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 30.9 mtm105 -81.29 157.24 25.19 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 118.039 0.92 . . . . 0.0 113.3 175.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 87.5 t -136.22 141.81 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 126.526 1.931 . . . . 0.0 109.14 171.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -127.61 143.92 51.12 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.635 1.174 . . . . 0.0 111.719 174.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 38.7 mt -130.77 107.68 14.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 125.612 1.565 . . . . 0.0 108.442 -174.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.69 154.88 40.46 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 123.982 0.801 . . . . 0.0 114.135 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 53.06 53.73 11.51 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.271 1.828 . . . . 0.0 114.621 168.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 18.5 m -79.89 134.1 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 124.439 1.096 . . . . 0.0 112.797 177.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 95.8 mt -81.87 -33.97 30.3 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.166 1.387 . . . . 0.0 112.268 172.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -159.68 144.45 15.19 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.23 0.612 . . . . 0.0 111.799 -171.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 38.6 t -137.31 139.75 43.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 124.962 1.305 . . . . 0.0 110.235 178.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 89.3 mtt180 -142.82 133.24 24.87 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.765 0.826 . . . . 0.0 112.06 -177.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.751 0 C-N-CA 124.679 1.192 . . . . 0.0 109.561 162.072 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.576 0 CA-C-O 120.682 0.277 . . . . 0.0 111.605 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 77.9 t -102.99 131.32 51.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 O-C-N 122.26 -0.275 . . . . 0.0 111.122 160.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -100.84 147.64 25.86 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.842 1.657 . . . . 0.0 110.727 168.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 31.7 t -137.63 139.51 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 125.203 1.401 . . . . 0.0 110.153 174.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 57.8 m -115.18 130.4 56.91 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.334 1.054 . . . . 0.0 110.035 169.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 57.3 p -98.84 168.56 10.05 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.276 1.03 . . . . 0.0 112.594 176.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -57.36 -16.48 9.12 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 178.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -82.5 3.33 28.82 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.044 1.338 . . . . 0.0 113.379 174.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 62.92 13.03 6.27 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 126.935 2.094 . . . . 0.0 114.109 -168.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -78.1 139.64 39.04 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 120.865 -1.147 . . . . 0.0 111.877 173.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -102.1 149.26 24.45 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.528 1.131 . . . . 0.0 112.537 174.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -136.81 149.09 47.55 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 126.479 1.912 . . . . 0.0 109.52 176.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -139.92 141.25 36.53 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.959 0.904 . . . . 0.0 112.9 -179.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -136.47 87.85 21.12 Favored Pre-proline 0 CA--C 1.543 0.691 0 C-N-CA 125.523 1.529 . . . . 0.0 110.807 -170.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -66.08 145.54 79.4 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 123.038 2.492 . . . . 0.0 113.025 -177.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.94 -0.58 89.11 Favored Glycine 0 CA--C 1.537 1.465 0 C-N-CA 124.837 1.208 . . . . 0.0 115.289 -177.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 59.3 mt -100.86 161.18 13.77 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.758 1.279 . . . . 0.0 113.53 176.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.53 164.18 30.85 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 127.948 2.499 . . . . 0.0 110.256 163.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 27.4 mt -72.81 121.57 23.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 O-C-N 121.029 -1.045 . . . . 0.0 109.358 176.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.17 -45.21 2.86 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 124.687 1.137 . . . . 0.0 114.013 -176.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 76.6 ttt-85 -150.14 145.13 26.13 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.576 1.15 . . . . 0.0 111.617 -177.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 32.4 t -131.73 120.8 46.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 126.496 1.919 . . . . 0.0 108.282 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -118.61 98.72 6.38 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.297 1.439 . . . . 0.0 110.531 -172.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -82.15 -4.09 56.25 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.017 1.327 . . . . 0.0 113.419 -171.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 67.8 mtt85 -65.33 -36.42 84.0 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.734 0.814 . . . . 0.0 111.552 174.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 36.7 m -134.83 -5.54 2.45 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.1 1.36 . . . . 0.0 114.501 -175.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.43 65.22 1.96 Allowed Glycine 0 CA--C 1.533 1.184 0 CA-C-N 119.353 0.978 . . . . 0.0 112.804 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 60.7 t -128.66 136.96 58.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 124.277 1.031 . . . . 0.0 111.158 177.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 85.8 mt -123.89 120.18 58.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 125.914 1.686 . . . . 0.0 109.323 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 16.0 m -105.0 129.84 53.36 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.68 1.192 . . . . 0.0 111.295 177.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 25.5 mt -99.03 153.01 19.2 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.287 1.035 . . . . 0.0 111.923 176.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -137.05 158.96 36.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 126.727 2.011 . . . . 0.0 111.162 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 19.2 mp0 -66.11 129.56 40.23 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.633 0.773 . . . . 0.0 111.926 175.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.787 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -175.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.491 0 CA-C-O 121.444 0.64 . . . . 0.0 112.651 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -117.09 134.27 54.97 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.463 1.105 . . . . 0.0 111.285 163.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 88.4 t -99.85 141.66 16.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 124.907 1.283 . . . . 0.0 109.867 176.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.1 p -141.52 141.83 29.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.86 1.264 . . . . 0.0 112.392 -177.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp . . . . . 0 CA--C 1.539 0.552 0 C-N-CA 126.13 1.772 . . . . 0.0 112.412 -179.168 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 93.4 t . . . . . 0 N--CA 1.471 0.599 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -127.88 136.92 52.05 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.716 1.606 . . . . 0.0 110.935 177.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.0 mt -133.9 109.59 13.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.688 1.195 . . . . 0.0 109.076 -174.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.68 175.33 45.39 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 124.286 0.946 . . . . 0.0 113.587 176.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 56.25 29.96 15.81 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.993 1.317 . . . . 0.0 113.993 177.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 72.3 t -73.23 114.33 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 124.439 1.096 . . . . 0.0 109.818 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.0 tp -86.21 -27.55 24.43 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.578 1.151 . . . . 0.0 111.82 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -155.43 148.92 25.05 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.082 1.353 . . . . 0.0 112.388 177.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.3 p -143.06 143.9 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 125.533 1.533 . . . . 0.0 110.702 173.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -134.92 143.99 47.23 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 126.051 1.74 . . . . 0.0 111.598 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.588 0 C-N-CA 124.211 1.004 . . . . 0.0 109.034 160.064 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.419 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 82.1 t -98.44 145.7 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 O-C-N 121.564 -0.71 . . . . 0.0 109.73 157.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -137.03 131.74 33.26 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.452 1.501 . . . . 0.0 110.195 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.5 m -119.27 152.16 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 124.821 1.248 . . . . 0.0 111.899 -177.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 64.6 m -130.56 121.3 25.44 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.72 1.608 . . . . 0.0 109.65 174.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 42.0 p -83.7 161.0 21.19 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.458 0.703 . . . . 0.0 111.724 172.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.5 pp -65.37 -10.53 34.03 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 171.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -81.2 3.55 23.35 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 124.667 1.187 . . . . 0.0 113.15 171.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 63.44 11.41 5.54 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 127.391 2.277 . . . . 0.0 114.584 -171.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -82.32 141.58 32.76 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.073 -1.017 . . . . 0.0 111.183 170.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -122.6 152.7 40.18 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 125.124 1.37 . . . . 0.0 112.614 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -138.35 154.0 48.96 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.363 1.465 . . . . 0.0 110.418 171.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.38 145.14 34.99 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.908 0.883 . . . . 0.0 111.838 -178.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -138.5 92.03 12.0 Favored Pre-proline 0 CA--C 1.543 0.694 0 C-N-CA 125.468 1.507 . . . . 0.0 110.855 -170.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -60.76 147.27 95.59 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 123.589 2.859 . . . . 0.0 113.545 177.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.63 3.82 90.35 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 124.797 1.189 . . . . 0.0 114.522 178.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 56.6 mt -108.07 163.15 13.4 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 118.802 1.301 . . . . 0.0 113.027 176.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.92 160.06 40.65 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 127.604 2.362 . . . . 0.0 110.264 165.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 43.0 mt -68.24 117.97 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 O-C-N 121.468 -0.77 . . . . 0.0 109.063 174.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.43 -48.43 2.0 Favored Glycine 0 CA--C 1.528 0.844 0 C-N-CA 124.021 0.819 . . . . 0.0 114.353 -170.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 75.1 ttt-85 -152.62 140.16 19.73 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.547 1.139 . . . . 0.0 110.828 -174.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.1 t -119.55 134.27 63.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 123.698 0.799 . . . . 0.0 109.408 169.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -131.14 92.89 3.28 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.454 1.502 . . . . 0.0 110.637 -174.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -73.28 -15.24 61.41 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.616 1.166 . . . . 0.0 113.604 -166.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 50.0 mtm180 -66.88 -23.97 66.06 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.367 1.067 . . . . 0.0 112.325 173.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.1 m -124.1 -7.94 7.7 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.635 1.574 . . . . 0.0 113.937 178.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.36 21.88 79.21 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 125.273 1.416 . . . . 0.0 114.276 -178.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 96.0 t -93.14 137.15 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.721 1.208 . . . . 0.0 111.616 -173.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 86.0 mt -117.41 102.31 13.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 127.053 2.141 . . . . 0.0 108.016 172.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.9 m -90.21 127.76 36.21 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.073 0.949 . . . . 0.0 110.875 179.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.6 mt -92.99 153.86 18.49 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.597 0.759 . . . . 0.0 111.97 175.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -134.29 160.9 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 125.895 1.678 . . . . 0.0 111.044 178.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -71.27 134.88 47.13 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.151 -0.968 . . . . 0.0 111.956 177.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? . . . . . 0 N--CA 1.474 0.766 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -178.919 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 3.6 mpp? . . . . . 0 N--CA 1.47 0.574 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -151.3 159.23 44.43 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.961 1.305 . . . . 0.0 112.147 -177.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -101.65 134.82 44.2 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.341 1.456 . . . . 0.0 111.068 172.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 4.6 t -100.18 138.74 23.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 125.286 1.434 . . . . 0.0 109.69 165.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -139.65 140.99 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 124.906 1.282 . . . . 0.0 112.313 -179.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 pp -142.79 156.62 45.0 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.744 1.617 . . . . 0.0 112.653 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 16.8 m -107.27 131.56 54.06 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.721 1.209 . . . . 0.0 110.872 172.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -80.25 162.98 24.34 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.393 1.877 . . . . 0.0 112.931 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.1 -23.88 67.28 Favored 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 174.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 47.0 p30 -80.79 0.19 35.9 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.109 1.364 . . . . 0.0 113.727 175.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.84 -6.83 82.18 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 125.118 1.342 . . . . 0.0 115.234 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.73 174.6 52.56 Favored Glycine 0 CA--C 1.54 1.652 0 CA-C-N 119.109 1.454 . . . . 0.0 113.275 170.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -130.01 152.55 49.34 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.148 1.379 . . . . 0.0 113.114 178.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 97.5 t -128.68 138.51 54.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 126.171 1.788 . . . . 0.0 109.308 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -129.15 141.45 51.17 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.194 1.397 . . . . 0.0 111.225 -177.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 92.5 mt -132.14 111.23 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 125.738 1.615 . . . . 0.0 108.307 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.57 168.31 41.79 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.302 0.953 . . . . 0.0 114.197 178.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 53.26 43.21 31.8 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.93 1.692 . . . . 0.0 113.922 172.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 90.4 t -71.08 129.8 34.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 124.49 1.116 . . . . 0.0 111.46 -178.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 96.2 mt -89.21 -39.0 13.84 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.733 1.213 . . . . 0.0 112.305 170.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -151.53 142.92 23.44 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.589 1.156 . . . . 0.0 111.676 -177.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 7.2 p -142.87 144.67 23.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 125.023 1.329 . . . . 0.0 110.606 173.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -137.2 144.78 43.04 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.116 1.367 . . . . 0.0 112.658 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.728 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 152.101 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.499 0 CA-C-O 120.681 0.277 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 49.9 t -99.74 135.79 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 O-C-N 121.85 -0.531 . . . . 0.0 110.745 162.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -119.13 143.88 46.95 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.408 1.883 . . . . 0.0 109.985 171.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 9.8 p -147.66 145.8 18.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 C-N-CA 124.496 1.118 . . . . 0.0 112.811 -174.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 63.1 m -129.12 132.56 47.4 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.858 2.063 . . . . 0.0 111.043 -176.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 32.3 p -105.05 167.1 9.93 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.559 1.144 . . . . 0.0 113.929 -175.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 51.7 tp -45.97 -35.76 4.98 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 127.608 2.363 . . . . 0.0 114.237 170.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -84.45 6.75 22.19 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.081 1.752 . . . . 0.0 113.889 -176.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 61.4 11.58 3.79 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.797 2.039 . . . . 0.0 114.35 -170.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -76.39 142.04 41.26 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 120.973 -1.079 . . . . 0.0 110.499 169.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -124.43 151.27 44.7 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.881 1.272 . . . . 0.0 112.116 -178.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 -138.01 156.88 47.37 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.626 1.57 . . . . 0.0 111.539 179.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -145.65 143.78 30.04 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.206 1.002 . . . . 0.0 112.376 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -142.95 95.25 6.24 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 125.645 1.578 . . . . 0.0 111.886 -169.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -60.72 146.64 96.94 Favored 'Trans proline' 0 CA--C 1.54 0.816 0 C-N-CA 123.673 2.915 . . . . 0.0 114.013 178.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.1 4.81 89.79 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 124.399 1.0 . . . . 0.0 115.119 177.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 48.0 mt -105.87 161.88 14.06 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 118.614 1.207 . . . . 0.0 113.769 177.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.73 163.59 32.88 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 127.944 2.498 . . . . 0.0 110.063 165.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 32.0 mt -74.31 124.88 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 O-C-N 121.27 -0.894 . . . . 0.0 109.124 175.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -103.5 -36.03 3.41 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 124.41 1.005 . . . . 0.0 114.651 -173.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 76.0 ttt-85 -157.44 147.57 20.73 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-N 118.658 1.229 . . . . 0.0 111.022 -175.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 13.8 t -130.3 133.12 64.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 123.937 0.895 . . . . 0.0 109.712 167.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -125.64 101.2 6.78 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.652 1.581 . . . . 0.0 110.875 -174.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -81.94 -3.94 55.48 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.595 1.158 . . . . 0.0 112.971 -171.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 65.2 mtt85 -64.51 -27.53 69.03 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.31 1.044 . . . . 0.0 112.0 166.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 45.6 m -131.81 -12.27 3.35 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.7 1.6 . . . . 0.0 114.202 -174.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.76 41.3 34.72 Favored Glycine 0 CA--C 1.532 1.097 0 C-N-CA 124.17 0.89 . . . . 0.0 113.024 -178.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 43.1 t -117.07 135.06 58.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.553 1.141 . . . . 0.0 111.845 -175.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 44.9 mt -116.35 114.74 46.94 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 C-N-CA 127.744 2.418 . . . . 0.0 107.951 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 22.9 t -105.41 132.71 51.25 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.782 1.233 . . . . 0.0 111.926 -176.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 mp -103.32 148.2 26.14 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.814 1.646 . . . . 0.0 111.382 -176.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -135.43 160.36 40.13 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 126.272 1.829 . . . . 0.0 111.407 -177.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 26.5 mp0 -70.84 127.12 31.54 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.274 1.03 . . . . 0.0 112.008 177.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? . . . . . 0 N--CA 1.476 0.85 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 -171.361 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.579 0 CA-C-O 121.123 0.487 . . . . 0.0 109.901 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -138.41 135.52 35.34 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.306 1.442 . . . . 0.0 111.123 173.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.2 t -101.66 142.96 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 125.266 1.426 . . . . 0.0 110.453 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.9 p -136.68 140.27 43.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 125.316 1.446 . . . . 0.0 111.638 172.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 pp . . . . . 0 N--CA 1.469 0.5 0 C-N-CA 125.642 1.577 . . . . 0.0 112.005 -177.084 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 52.9 t . . . . . 0 N--CA 1.477 0.923 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.0 mp0 -131.32 142.47 50.1 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.552 1.541 . . . . 0.0 110.771 177.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 32.9 mt -135.28 122.66 36.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 125.034 1.334 . . . . 0.0 109.222 -178.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -96.23 173.23 29.97 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 124.72 1.152 . . . . 0.0 113.834 173.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 54.67 40.36 31.84 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.14 1.376 . . . . 0.0 114.117 175.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 83.7 t -78.21 128.72 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 125.446 1.498 . . . . 0.0 112.096 -176.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 89.4 mt -92.38 -33.77 14.44 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.282 1.433 . . . . 0.0 112.772 172.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 62.8 tt0 -157.64 147.39 20.25 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 118.781 0.719 . . . . 0.0 112.103 -169.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.1 t -137.8 139.76 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.707 1.603 . . . . 0.0 110.011 175.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -137.88 114.99 10.89 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.598 1.159 . . . . 0.0 112.393 178.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.735 0 C-N-CA 125.964 1.706 . . . . 0.0 110.097 169.166 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.526 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 82.8 t -100.24 136.63 30.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 122.936 0.495 . . . . 0.0 110.487 164.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.0 mtt85 -116.57 150.5 37.91 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.861 1.665 . . . . 0.0 110.069 173.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.1 t -136.69 140.89 42.31 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 125.416 1.486 . . . . 0.0 110.324 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 36.0 m -123.89 145.0 49.42 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.251 1.421 . . . . 0.0 110.839 177.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 49.3 p -130.54 163.9 26.05 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.87 1.268 . . . . 0.0 112.19 -176.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.98 -5.71 13.9 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 115.424 1.638 . . . . 0.0 115.424 -179.269 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -78.02 0.73 23.36 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.651 1.181 . . . . 0.0 113.274 170.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 61.01 13.3 4.49 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 126.673 1.989 . . . . 0.0 114.016 -164.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -83.84 155.56 22.9 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.76 1.224 . . . . 0.0 112.266 172.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -137.07 150.38 48.0 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.697 1.599 . . . . 0.0 112.372 -178.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 -132.19 154.0 50.0 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.945 1.698 . . . . 0.0 110.689 -179.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -146.13 140.18 26.5 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.042 0.937 . . . . 0.0 112.817 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -141.25 95.55 7.37 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 125.411 1.484 . . . . 0.0 111.12 -170.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -60.33 149.37 86.18 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 123.878 3.052 . . . . 0.0 113.507 175.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.37 9.8 86.11 Favored Glycine 0 CA--C 1.533 1.169 0 C-N-CA 124.827 1.203 . . . . 0.0 115.254 175.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.8 mt -111.47 161.97 15.58 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.846 1.258 . . . . 0.0 113.822 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -146.14 163.04 36.6 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 127.562 2.345 . . . . 0.0 110.467 165.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 23.2 mt -74.52 123.57 30.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 O-C-N 121.119 -0.988 . . . . 0.0 110.044 177.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -88.07 -45.32 5.11 Favored Glycine 0 N--CA 1.471 0.97 0 C-N-CA 124.603 1.097 . . . . 0.0 113.308 177.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -156.19 162.71 40.16 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.71 1.204 . . . . 0.0 113.144 173.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.35 124.24 51.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.826 1.251 . . . . 0.0 109.147 170.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -110.0 91.34 3.61 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.927 1.691 . . . . 0.0 110.409 -177.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -67.96 -16.39 64.04 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.714 1.206 . . . . 0.0 113.38 -171.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.9 mtm180 -61.47 -26.76 68.1 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.883 0.873 . . . . 0.0 113.075 173.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.2 t -134.22 4.38 3.46 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.808 1.243 . . . . 0.0 113.507 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.77 18.23 72.07 Favored Glycine 0 CA--C 1.539 1.559 0 C-N-CA 124.777 1.18 . . . . 0.0 115.076 -178.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.7 t -81.55 124.18 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 CA-C-N 118.816 1.308 . . . . 0.0 111.052 -176.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 97.3 mt -106.98 115.8 49.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 126.56 1.944 . . . . 0.0 108.628 173.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.4 t -103.64 125.26 50.04 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.405 1.082 . . . . 0.0 111.355 -178.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 27.0 mt -102.36 148.56 25.33 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.471 1.109 . . . . 0.0 112.171 177.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.7 pp -133.84 162.09 39.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 126.934 2.094 . . . . 0.0 110.491 -179.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -69.42 128.66 37.33 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.502 -0.749 . . . . 0.0 111.522 176.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? . . . . . 0 N--CA 1.476 0.854 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -175.053 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 53.3 mtm . . . . . 0 N--CA 1.469 0.483 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -102.05 179.49 4.31 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.015 1.326 . . . . 0.0 112.241 177.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.53 142.12 48.62 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.694 1.198 . . . . 0.0 111.709 158.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 19.8 t -99.71 145.28 10.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 125.692 1.597 . . . . 0.0 110.093 -179.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 12.4 p -135.13 141.16 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 125.108 1.363 . . . . 0.0 111.631 171.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -149.83 155.86 40.81 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.556 1.542 . . . . 0.0 112.613 -176.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 17.0 m -116.1 132.83 56.54 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.142 1.377 . . . . 0.0 110.916 178.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -85.22 160.55 19.86 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 126.372 1.869 . . . . 0.0 112.075 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.69 -24.94 67.9 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 177.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -78.21 -0.73 29.66 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 125.03 1.332 . . . . 0.0 113.51 174.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.54 -3.85 86.56 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 125.517 1.532 . . . . 0.0 115.358 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.84 166.07 54.41 Favored Glycine 0 N--CA 1.476 1.3 0 CA-C-N 118.676 1.238 . . . . 0.0 112.843 172.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -127.5 152.49 47.52 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.836 1.255 . . . . 0.0 113.563 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 96.2 t -131.84 141.6 45.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 125.666 1.586 . . . . 0.0 109.76 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -130.29 141.88 50.58 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.254 1.422 . . . . 0.0 111.737 177.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 53.1 mt -138.6 110.98 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 124.713 1.205 . . . . 0.0 109.309 -169.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.79 162.72 33.04 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 124.464 1.031 . . . . 0.0 115.428 -175.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 55.96 45.01 24.69 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.259 1.823 . . . . 0.0 113.821 170.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 3.2 p -79.78 127.62 39.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 123.976 0.911 . . . . 0.0 111.334 -178.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 86.4 mt -82.69 -34.43 27.34 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.408 1.483 . . . . 0.0 112.671 173.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -155.94 143.67 19.57 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.39 1.076 . . . . 0.0 112.341 -179.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 19.0 m -124.82 145.25 32.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 125.101 1.36 . . . . 0.0 110.548 167.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -138.19 138.45 38.57 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.125 1.37 . . . . 0.0 111.035 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.548 0 C-N-CA 123.752 0.821 . . . . 0.0 108.982 164.15 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.717 0 CA-C-O 120.397 0.141 . . . . 0.0 111.323 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 60.9 t -106.58 141.0 22.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 122.921 0.489 . . . . 0.0 111.365 162.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -118.21 143.17 46.74 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 126.649 1.98 . . . . 0.0 110.108 171.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 3.7 m -137.93 140.14 41.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.804 1.242 . . . . 0.0 110.72 -177.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 92.8 m -132.74 132.95 42.86 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.614 1.166 . . . . 0.0 111.638 -173.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 29.8 p -113.71 169.17 9.18 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.96 1.304 . . . . 0.0 113.51 -174.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -60.77 -14.96 24.66 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 115.975 1.843 . . . . 0.0 115.975 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -81.47 4.09 22.38 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.882 1.273 . . . . 0.0 113.627 174.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 61.77 14.3 6.08 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.329 1.852 . . . . 0.0 114.036 -166.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -79.44 155.4 28.35 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.159 0.983 . . . . 0.0 112.265 171.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -144.27 141.61 29.93 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.46 1.504 . . . . 0.0 110.804 -175.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -134.52 153.66 51.83 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.424 1.49 . . . . 0.0 110.316 178.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -140.07 141.82 36.18 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.468 1.107 . . . . 0.0 112.62 -176.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -138.18 96.98 9.85 Favored Pre-proline 0 CA--C 1.546 0.805 0 C-N-CA 125.697 1.599 . . . . 0.0 111.048 -169.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -62.43 147.86 94.21 Favored 'Trans proline' 0 CA--C 1.533 0.469 0 C-N-CA 123.951 3.101 . . . . 0.0 113.737 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.66 3.08 90.66 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 124.924 1.25 . . . . 0.0 114.452 176.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 63.6 mt -107.42 161.28 14.96 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 118.934 1.367 . . . . 0.0 113.587 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.61 161.49 37.93 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 128.596 2.758 . . . . 0.0 109.91 167.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 22.6 mt -74.3 122.83 28.41 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 O-C-N 120.992 -1.068 . . . . 0.0 109.87 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.61 -49.24 1.31 Allowed Glycine 0 CA--C 1.53 1.005 0 C-N-CA 124.58 1.086 . . . . 0.0 114.529 -173.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -143.24 156.82 44.83 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 118.127 0.964 . . . . 0.0 112.867 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 12.2 t -135.76 131.55 50.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 126.436 1.895 . . . . 0.0 109.03 172.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -130.55 111.49 12.31 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.03 1.332 . . . . 0.0 110.114 173.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -81.04 -15.01 57.3 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.966 0.906 . . . . 0.0 113.382 -175.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 56.2 mtm180 -68.98 -45.93 69.39 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.612 1.165 . . . . 0.0 111.509 175.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 12.3 m -88.87 -19.4 25.92 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.773 1.229 . . . . 0.0 113.565 173.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.66 36.9 58.09 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 124.345 0.974 . . . . 0.0 113.398 -171.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 71.5 t -109.3 139.93 30.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 125.318 1.447 . . . . 0.0 112.281 -172.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 73.6 mt -119.65 128.76 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 125.982 1.713 . . . . 0.0 108.422 170.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 24.4 m -114.3 128.35 56.31 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.089 0.955 . . . . 0.0 111.051 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 23.6 mt -94.61 152.3 18.62 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.003 0.921 . . . . 0.0 112.415 176.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -135.96 164.39 32.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 126.647 1.979 . . . . 0.0 110.772 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -70.31 132.04 45.07 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.898 -1.126 . . . . 0.0 112.229 177.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? . . . . . 0 N--CA 1.479 0.993 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 -176.291 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.869 0 CA-C-O 121.999 0.904 . . . . 0.0 113.411 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -135.95 143.85 45.11 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.444 1.897 . . . . 0.0 110.753 170.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.0 t -99.16 143.72 12.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 124.734 1.213 . . . . 0.0 109.953 179.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.5 p -133.97 145.6 32.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 125.728 1.611 . . . . 0.0 111.043 167.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.537 0.448 0 C-N-CA 124.416 1.086 . . . . 0.0 113.221 -178.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.4 t . . . . . 0 N--CA 1.477 0.893 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -129.49 142.93 50.66 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.827 1.651 . . . . 0.0 111.201 175.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 46.0 mt -133.04 112.65 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 125.461 1.504 . . . . 0.0 109.215 -178.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.75 162.26 32.75 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 124.363 0.982 . . . . 0.0 114.149 175.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 52.43 43.44 30.93 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 126.051 1.74 . . . . 0.0 113.715 174.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.2 p -73.69 135.97 26.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 124.012 0.925 . . . . 0.0 111.133 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.6 mt -94.48 -35.15 12.43 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.365 1.066 . . . . 0.0 112.275 175.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -155.15 143.48 20.33 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.019 0.928 . . . . 0.0 112.355 -175.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.9 t -133.89 140.75 45.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 125.843 1.657 . . . . 0.0 109.716 174.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -134.01 146.44 50.4 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.711 1.605 . . . . 0.0 111.325 175.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.527 0 C-N-CA 125.458 1.503 . . . . 0.0 111.263 176.473 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.782 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.8 t -87.89 147.8 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 124.254 1.022 . . . . 0.0 110.284 160.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -134.95 142.88 46.6 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 126.479 1.912 . . . . 0.0 110.578 177.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -148.49 145.64 18.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 124.074 0.95 . . . . 0.0 112.181 -174.086 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 42.3 m -133.85 132.67 40.64 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.497 1.119 . . . . 0.0 112.547 -177.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 44.5 p -102.74 167.14 10.08 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.581 1.552 . . . . 0.0 113.392 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.45 -8.99 45.75 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.552 1.316 . . . . 0.0 114.552 171.12 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -78.19 1.85 20.08 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.285 1.034 . . . . 0.0 112.595 171.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.306 2.0 p30 56.77 10.95 0.81 Allowed 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 128.936 2.895 . . . . 0.0 114.686 -165.252 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -74.37 129.01 36.98 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.349 1.06 . . . . 0.0 111.187 171.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -102.43 148.36 25.6 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.177 1.391 . . . . 0.0 111.426 175.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -134.07 145.06 49.03 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.094 1.758 . . . . 0.0 110.36 179.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -148.43 140.71 24.17 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.17 0.988 . . . . 0.0 112.084 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -142.23 101.63 5.7 Favored Pre-proline 0 CA--C 1.545 0.751 0 C-N-CA 124.567 1.147 . . . . 0.0 111.967 -170.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -61.34 148.09 93.85 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 123.374 2.716 . . . . 0.0 114.07 176.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.16 3.89 82.54 Favored Glycine 0 CA--C 1.539 1.542 0 C-N-CA 125.358 1.456 . . . . 0.0 115.674 175.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 73.0 mt -100.83 163.62 12.23 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.645 1.223 . . . . 0.0 113.411 177.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.83 160.06 40.97 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 127.94 2.496 . . . . 0.0 109.483 163.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 20.6 mt -71.57 123.38 25.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 O-C-N 120.484 -1.385 . . . . 0.0 108.894 175.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.5 -34.19 5.1 Favored Glycine 0 CA--C 1.529 0.922 0 C-N-CA 124.839 1.209 . . . . 0.0 114.195 -174.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -158.02 147.66 19.88 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 118.463 1.131 . . . . 0.0 111.474 -173.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.7 t -130.91 126.84 60.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 160.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -117.09 111.36 19.42 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.875 1.27 . . . . 0.0 109.412 174.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -81.93 -15.17 54.78 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.492 1.117 . . . . 0.0 112.646 -172.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 34.2 mtm180 -70.19 -35.13 73.72 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.273 1.029 . . . . 0.0 111.468 175.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 80.5 p -105.56 -11.81 16.22 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.911 1.684 . . . . 0.0 113.539 177.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.86 30.6 67.94 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 124.977 1.275 . . . . 0.0 113.926 -177.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.3 t -104.41 126.64 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.696 1.199 . . . . 0.0 112.123 -175.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.5 mt -97.13 134.5 34.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 126.073 1.749 . . . . 0.0 107.667 162.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.4 t -127.65 132.9 49.67 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.215 1.006 . . . . 0.0 111.871 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.9 mt -98.49 152.14 19.86 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.746 1.219 . . . . 0.0 112.23 178.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -135.16 160.29 40.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 126.915 2.086 . . . . 0.0 110.908 178.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -68.2 130.12 41.98 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.424 -0.797 . . . . 0.0 111.411 175.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? . . . . . 0 N--CA 1.474 0.757 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -168.093 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 60.2 mtm . . . . . 0 N--CA 1.471 0.603 0 CA-C-O 120.97 0.414 . . . . 0.0 111.813 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.68 163.31 18.34 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.154 0.982 . . . . 0.0 113.366 -178.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -96.79 141.81 29.56 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.487 1.915 . . . . 0.0 110.405 165.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 59.6 t -113.92 141.89 28.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 125.273 1.429 . . . . 0.0 109.76 169.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -139.73 143.03 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 125.214 1.406 . . . . 0.0 112.042 178.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 pp -144.45 154.56 43.07 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.89 1.676 . . . . 0.0 111.178 178.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 37.2 m -119.4 122.3 41.46 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.25 1.02 . . . . 0.0 110.101 172.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -71.86 163.7 27.36 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.385 1.074 . . . . 0.0 112.037 178.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.03 -27.39 68.29 Favored 'General case' 0 CA--C 1.552 1.047 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 -178.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -79.56 2.97 20.29 Favored 'General case' 0 CA--C 1.556 1.181 0 C-N-CA 125.592 1.557 . . . . 0.0 113.659 174.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.36 0.49 90.11 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 125.71 1.624 . . . . 0.0 115.242 -177.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.99 114.77 4.06 Favored Glycine 0 CA--C 1.532 1.133 0 CA-C-N 118.849 1.325 . . . . 0.0 112.589 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 19.4 ttp180 -77.5 144.96 37.29 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 124.564 1.146 . . . . 0.0 112.707 176.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 60.0 t -132.2 134.84 59.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 126.133 1.773 . . . . 0.0 109.207 176.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -132.55 137.45 47.13 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.394 1.478 . . . . 0.0 111.2 -173.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 65.6 mt -134.91 111.83 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 125.388 1.475 . . . . 0.0 109.154 -172.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.94 158.9 35.44 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 123.562 0.601 . . . . 0.0 113.558 175.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 56.61 48.86 15.69 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.744 1.618 . . . . 0.0 114.866 167.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 19.1 m -76.83 134.51 28.62 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 O-C-N 121.086 -1.008 . . . . 0.0 111.91 168.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 91.8 mt -75.98 -35.11 59.74 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.409 1.084 . . . . 0.0 110.509 165.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -155.97 149.21 24.54 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.791 1.236 . . . . 0.0 111.994 -172.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 7.1 p -140.18 141.64 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 126.215 1.806 . . . . 0.0 109.963 172.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -137.75 131.48 31.35 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.606 1.563 . . . . 0.0 111.054 -177.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.695 0 C-N-CA 124.512 1.125 . . . . 0.0 109.181 161.36 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.685 0 CA-C-O 120.91 0.386 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 77.8 t -109.72 142.16 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 O-C-N 121.464 -0.772 . . . . 0.0 110.908 162.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 25.0 mtp-105 -126.22 152.97 45.36 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.294 1.437 . . . . 0.0 111.133 169.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 29.4 m -132.45 153.17 37.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 125.765 1.626 . . . . 0.0 111.915 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 54.9 m -129.44 131.2 46.69 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.613 1.565 . . . . 0.0 109.78 174.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 23.4 p -110.9 169.05 9.02 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.316 1.046 . . . . 0.0 113.392 -175.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -56.23 -19.06 12.25 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 115.446 1.646 . . . . 0.0 115.446 175.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -82.85 2.36 34.63 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.168 1.387 . . . . 0.0 113.196 176.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 60.64 14.86 5.28 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 126.031 1.732 . . . . 0.0 113.94 -165.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -76.42 154.05 35.14 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.968 0.907 . . . . 0.0 111.8 170.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -132.18 146.29 51.93 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 124.646 1.178 . . . . 0.0 111.675 173.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -138.3 154.53 49.01 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.613 1.565 . . . . 0.0 110.871 -178.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -140.77 144.13 35.3 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.926 0.89 . . . . 0.0 113.21 -171.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -141.8 93.69 7.5 Favored Pre-proline 0 CA--C 1.544 0.735 0 C-N-CA 125.61 1.564 . . . . 0.0 110.396 -170.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -62.86 149.56 91.06 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 123.738 2.959 . . . . 0.0 114.048 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.86 4.19 90.44 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 125.0 1.286 . . . . 0.0 114.872 176.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 57.2 mt -106.77 160.4 15.51 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.984 1.314 . . . . 0.0 113.838 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.49 162.66 34.81 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 127.617 2.367 . . . . 0.0 109.862 165.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 30.6 mt -73.7 125.31 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 O-C-N 121.363 -0.836 . . . . 0.0 109.014 176.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -108.45 -34.24 2.72 Favored Glycine 0 CA--C 1.532 1.133 0 C-N-CA 124.189 0.899 . . . . 0.0 115.27 -170.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -157.59 148.98 21.71 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 118.342 1.071 . . . . 0.0 111.46 -177.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 38.7 t -138.12 122.0 21.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 125.432 1.493 . . . . 0.0 110.04 176.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -109.65 102.84 11.64 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.544 1.138 . . . . 0.0 110.317 177.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -74.92 -18.37 60.42 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.656 -0.652 . . . . 0.0 112.568 -178.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 84.7 mtp180 -65.2 -23.3 67.05 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.946 1.298 . . . . 0.0 113.237 170.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 50.6 m -122.89 -18.03 6.6 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.117 1.367 . . . . 0.0 114.207 -177.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.45 31.19 59.25 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.622 1.106 . . . . 0.0 113.74 -175.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 17.8 t -117.51 135.93 56.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.666 1.186 . . . . 0.0 111.67 -175.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 97.0 mt -117.31 118.8 59.83 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 C-N-CA 127.666 2.386 . . . . 0.0 108.6 -176.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 18.2 m -103.06 131.37 50.1 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.731 1.212 . . . . 0.0 111.219 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 21.7 mt -95.96 153.57 17.69 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.623 1.169 . . . . 0.0 111.928 175.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -135.26 161.64 39.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 C-N-CA 126.836 2.054 . . . . 0.0 111.029 178.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -69.0 132.3 46.45 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.536 -0.728 . . . . 0.0 111.228 175.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? . . . . . 0 N--CA 1.476 0.852 0 N-CA-C 114.847 1.425 . . . . 0.0 114.847 -164.35 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.849 0 CA-C-O 122.12 0.962 . . . . 0.0 113.051 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.2 133.16 53.61 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.739 1.615 . . . . 0.0 110.806 164.027 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.6 t -100.55 144.26 12.87 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 124.907 1.283 . . . . 0.0 110.508 -179.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.8 p -133.35 142.79 40.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 125.172 1.389 . . . . 0.0 111.719 170.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 CA--C 1.538 0.501 0 C-N-CA 125.435 1.494 . . . . 0.0 112.682 -178.439 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.9 t . . . . . 0 N--CA 1.475 0.819 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -126.78 140.69 52.19 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.777 1.631 . . . . 0.0 111.369 176.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.0 mt -136.24 110.73 10.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 124.8 1.24 . . . . 0.0 109.874 -172.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.6 162.5 30.46 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.51 1.052 . . . . 0.0 114.35 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 54.09 42.02 31.77 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.414 1.886 . . . . 0.0 114.009 174.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.6 p -72.87 126.27 33.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 O-C-N 121.231 -0.918 . . . . 0.0 111.092 178.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.0 mt -83.16 -34.8 25.93 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.712 1.205 . . . . 0.0 111.505 173.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 65.2 tt0 -153.35 142.64 21.53 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.663 1.185 . . . . 0.0 112.27 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.9 p -132.22 145.64 34.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 126.104 1.762 . . . . 0.0 110.145 170.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -153.09 147.0 25.33 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.279 1.031 . . . . 0.0 112.722 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.528 0 C-N-CA 124.85 1.26 . . . . 0.0 108.96 168.75 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.588 0 N-CA-C 111.477 0.177 . . . . 0.0 111.477 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 66.9 t -88.68 139.87 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 O-C-N 121.865 -0.522 . . . . 0.0 110.091 160.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.3 mtt-85 -131.39 142.29 50.02 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 125.925 1.69 . . . . 0.0 109.266 -173.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.2 m -131.96 150.7 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 125.065 1.346 . . . . 0.0 111.997 -175.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 57.4 m -127.3 124.82 39.65 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.881 1.672 . . . . 0.0 109.541 170.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 40.5 p -98.14 166.57 11.35 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.512 1.125 . . . . 0.0 113.413 -176.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.3 tp -48.93 -31.06 6.71 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.968 2.107 . . . . 0.0 113.706 173.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -84.85 6.96 22.58 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.478 1.511 . . . . 0.0 113.893 -177.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 61.65 11.15 3.75 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.927 2.091 . . . . 0.0 114.606 -169.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -80.03 147.35 31.54 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.111 0.964 . . . . 0.0 111.408 172.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -130.12 148.2 51.94 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.205 1.402 . . . . 0.0 112.078 -176.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -140.99 158.84 43.37 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.285 1.434 . . . . 0.0 111.51 177.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.42 145.92 34.31 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.734 1.214 . . . . 0.0 112.37 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -138.72 94.88 10.11 Favored Pre-proline 0 CA--C 1.542 0.66 0 C-N-CA 126.388 1.875 . . . . 0.0 110.638 -168.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -60.9 148.51 92.23 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 123.666 2.911 . . . . 0.0 114.748 -178.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.2 1.01 87.61 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 124.986 1.279 . . . . 0.0 114.988 176.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 52.6 mt -97.28 162.69 13.23 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 118.985 1.393 . . . . 0.0 114.05 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.98 161.95 36.36 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 127.282 2.233 . . . . 0.0 110.74 162.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 41.5 mt -73.67 120.69 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 O-C-N 121.2 -0.938 . . . . 0.0 109.462 175.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.76 -48.11 2.0 Favored Glycine 0 CA--C 1.529 0.912 0 C-N-CA 124.115 0.864 . . . . 0.0 113.931 -173.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 75.9 ttt-85 -147.54 146.62 29.51 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.845 1.258 . . . . 0.0 112.186 -176.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 50.4 t -133.73 123.06 44.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 126.652 1.981 . . . . 0.0 108.384 177.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -124.58 94.84 4.32 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.238 1.415 . . . . 0.0 110.585 -170.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -74.76 -8.68 57.17 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.38 1.472 . . . . 0.0 113.241 -171.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 58.2 mtt85 -64.32 -23.91 67.46 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.527 1.131 . . . . 0.0 112.789 173.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.3 t -137.28 -21.55 1.18 Allowed 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 126.204 1.802 . . . . 0.0 113.507 178.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 85.44 36.78 10.31 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 120.956 -1.09 . . . . 0.0 113.081 -172.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.2 t -89.81 137.79 20.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 CA-C-N 118.055 0.927 . . . . 0.0 109.98 173.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 66.3 mt -124.0 129.94 74.04 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 C-N-CA 125.649 1.58 . . . . 0.0 108.809 172.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.8 m -121.77 128.17 51.44 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.649 1.18 . . . . 0.0 110.904 -177.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.8 mt -94.67 153.95 17.57 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.641 0.776 . . . . 0.0 112.422 178.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.6 pt -123.38 163.7 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 127.294 2.238 . . . . 0.0 109.929 176.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 -68.54 135.6 51.8 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.367 -0.833 . . . . 0.0 109.302 159.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 . . . . . 0 N--CA 1.478 0.943 0 O-C-N 121.397 -0.815 . . . . 0.0 112.792 -178.854 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 2.3 mpp? . . . . . 0 N--CA 1.477 0.911 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -160.24 171.03 19.92 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.864 1.665 . . . . 0.0 110.45 170.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 58.8 pttt -134.63 153.76 51.82 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.236 1.414 . . . . 0.0 111.941 168.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 75.5 t -99.15 146.48 8.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 125.393 1.477 . . . . 0.0 110.254 172.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 9.4 p -137.91 140.04 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 C-N-CA 125.36 1.464 . . . . 0.0 111.194 171.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -148.42 157.63 43.6 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.402 1.481 . . . . 0.0 112.442 -176.111 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 14.7 m -112.45 130.93 55.82 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.052 1.341 . . . . 0.0 110.505 173.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -80.87 163.66 23.23 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.235 1.414 . . . . 0.0 112.774 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.92 -20.56 65.31 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 123.597 0.759 . . . . 0.0 112.841 166.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -69.46 -11.62 60.97 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 125.069 1.348 . . . . 0.0 113.92 171.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.62 -9.9 57.62 Favored Glycine 0 CA--C 1.54 1.632 0 C-N-CA 125.507 1.527 . . . . 0.0 114.843 -171.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.02 171.12 55.12 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.991 1.282 . . . . 0.0 113.016 171.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -125.05 152.02 44.84 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.771 1.229 . . . . 0.0 112.917 -178.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 84.3 t -134.99 145.5 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 126.718 2.007 . . . . 0.0 109.801 -176.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -133.94 149.14 51.26 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.429 1.492 . . . . 0.0 111.95 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -131.37 113.98 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 125.543 1.537 . . . . 0.0 109.237 177.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.9 163.81 33.64 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.426 1.012 . . . . 0.0 114.635 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 53.25 44.98 29.45 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.929 1.692 . . . . 0.0 113.876 175.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 28.5 m -75.24 138.29 21.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 O-C-N 120.673 -1.267 . . . . 0.0 111.827 -178.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 97.0 mt -92.06 -29.88 16.32 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.138 1.375 . . . . 0.0 111.967 170.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 61.7 tt0 -156.14 146.45 21.57 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 124.049 0.94 . . . . 0.0 112.433 -177.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 19.5 t -142.09 135.94 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 125.979 1.712 . . . . 0.0 108.549 173.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -145.99 144.82 30.35 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.146 0.979 . . . . 0.0 112.914 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.657 0 C-N-CA 125.135 1.374 . . . . 0.0 108.776 168.381 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.725 0 CA-C-O 120.803 0.335 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 75.2 t -104.18 140.16 23.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 O-C-N 121.649 -0.657 . . . . 0.0 110.436 160.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -128.14 141.01 51.61 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.66 1.984 . . . . 0.0 109.801 177.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -150.67 146.12 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.825 0.85 . . . . 0.0 112.41 -168.629 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 30.8 m -126.87 138.92 53.39 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.476 1.91 . . . . 0.0 111.143 -175.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 26.4 p -104.98 167.25 9.83 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 -177.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 54.5 tp -51.15 -32.31 22.67 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 127.772 2.429 . . . . 0.0 113.396 171.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -87.31 8.49 24.06 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.969 1.708 . . . . 0.0 113.112 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 26.8 t0 61.33 24.62 14.7 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 127.022 2.129 . . . . 0.0 114.1 -176.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -85.62 150.97 24.26 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.008 0.923 . . . . 0.0 110.682 169.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -121.44 144.7 48.54 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.45 1.5 . . . . 0.0 111.862 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -134.54 152.73 51.98 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.76 1.624 . . . . 0.0 110.808 178.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.4 142.54 30.4 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.791 1.236 . . . . 0.0 112.077 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -139.96 90.89 10.54 Favored Pre-proline 0 CA--C 1.543 0.693 0 C-N-CA 125.228 1.411 . . . . 0.0 110.794 -171.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -60.94 144.85 99.66 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.523 2.815 . . . . 0.0 113.28 178.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.34 5.2 90.18 Favored Glycine 0 CA--C 1.533 1.192 0 CA-C-O 118.986 -0.897 . . . . 0.0 114.888 178.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 36.7 mt -104.89 163.42 12.53 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 119.152 1.476 . . . . 0.0 113.334 176.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.19 162.33 35.88 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 127.779 2.432 . . . . 0.0 109.535 164.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 53.6 mt -75.09 121.89 27.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 O-C-N 121.03 -1.043 . . . . 0.0 108.956 176.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -98.13 -38.04 4.18 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 124.45 1.024 . . . . 0.0 114.358 -175.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 75.2 ttt-85 -157.64 144.57 18.14 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.752 1.221 . . . . 0.0 111.576 -174.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 14.6 t -125.97 128.23 71.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 123.461 0.704 . . . . 0.0 109.706 166.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -115.3 95.36 5.14 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.383 1.873 . . . . 0.0 110.109 -177.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -75.79 -11.28 59.95 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.941 1.296 . . . . 0.0 112.916 -172.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 44.8 mtt85 -65.26 -33.36 75.81 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.775 1.23 . . . . 0.0 112.078 172.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 49.9 m -126.26 -4.88 6.7 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.698 1.599 . . . . 0.0 114.05 -175.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.44 41.21 67.46 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 124.935 1.255 . . . . 0.0 113.723 -178.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 55.2 t -111.2 126.74 68.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 CA-C-N 118.305 1.053 . . . . 0.0 111.809 -177.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 79.8 mt -107.68 111.54 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 C-N-CA 126.644 1.978 . . . . 0.0 108.59 175.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 36.0 m -100.42 125.49 46.71 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.182 0.993 . . . . 0.0 111.307 -178.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 18.1 mt -95.3 152.36 18.44 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.219 1.008 . . . . 0.0 111.475 176.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -133.55 159.7 42.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 126.987 2.115 . . . . 0.0 110.401 177.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -73.69 137.12 43.87 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 121.392 -0.818 . . . . 0.0 111.622 175.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? . . . . . 0 CA--C 1.548 0.895 0 C-N-CA 123.955 0.902 . . . . 0.0 112.868 178.145 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.794 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -136.5 130.55 32.68 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 126.196 1.798 . . . . 0.0 110.4 165.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 45.4 t -100.43 142.01 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 124.295 1.038 . . . . 0.0 110.663 -173.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.8 p -137.77 143.66 33.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 125.543 1.537 . . . . 0.0 111.583 173.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.617 0 C-N-CA 125.74 1.616 . . . . 0.0 112.177 177.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 42.1 t . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -136.87 145.52 44.48 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.821 1.248 . . . . 0.0 111.551 176.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.6 mt -136.37 124.4 35.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 124.732 1.213 . . . . 0.0 109.615 -177.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -95.2 162.02 23.58 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 124.627 1.108 . . . . 0.0 113.806 175.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 51.02 46.45 26.4 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.574 1.55 . . . . 0.0 112.99 -179.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 74.5 t -75.2 120.75 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 124.088 0.955 . . . . 0.0 109.785 177.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.9 tp -98.17 -23.36 15.73 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.355 1.462 . . . . 0.0 112.28 -175.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -160.95 150.53 17.11 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.862 0.865 . . . . 0.0 112.007 173.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 30.6 m -132.6 150.36 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 C-N-CA 124.743 1.217 . . . . 0.0 111.889 165.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -140.51 138.98 34.99 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.595 1.558 . . . . 0.0 111.627 176.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.713 0 C-N-CA 124.373 1.069 . . . . 0.0 110.758 166.223 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.624 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.6 t -105.12 144.01 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 123.905 0.882 . . . . 0.0 110.54 161.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -118.22 148.73 42.1 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 126.281 1.832 . . . . 0.0 111.097 170.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.9 t -132.55 140.9 46.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 126.439 1.896 . . . . 0.0 109.236 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.3 m -121.8 124.68 44.75 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.319 1.447 . . . . 0.0 109.798 171.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 48.8 p -87.75 168.39 13.0 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.0 0.92 . . . . 0.0 113.164 176.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.8 tp -48.47 -33.88 10.15 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.958 1.703 . . . . 0.0 113.734 167.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -83.96 6.87 20.23 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.745 1.618 . . . . 0.0 113.767 -174.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 61.18 11.24 3.39 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 127.076 2.151 . . . . 0.0 114.57 -170.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -77.13 131.97 38.59 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.072 -1.018 . . . . 0.0 110.577 170.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -98.8 149.5 22.82 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.137 0.975 . . . . 0.0 112.836 173.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -129.88 151.85 49.99 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.944 1.698 . . . . 0.0 110.226 170.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -140.67 143.22 34.99 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.037 0.935 . . . . 0.0 112.489 -177.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -138.61 91.58 12.08 Favored Pre-proline 0 CA--C 1.539 0.551 0 C-N-CA 125.293 1.437 . . . . 0.0 110.749 -173.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -67.68 147.5 75.99 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 123.006 2.471 . . . . 0.0 111.935 177.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.01 2.64 90.67 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 125.292 1.425 . . . . 0.0 114.601 -178.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 43.7 mt -108.82 165.16 11.77 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 118.808 1.304 . . . . 0.0 113.311 177.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.0 160.29 39.74 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 127.756 2.423 . . . . 0.0 109.889 163.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 34.2 mt -68.22 120.75 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 O-C-N 120.96 -1.087 . . . . 0.0 108.856 174.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -107.92 -39.65 1.82 Allowed Glycine 0 CA--C 1.531 1.04 0 C-N-CA 124.268 0.937 . . . . 0.0 115.073 -167.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 49.6 ttt180 -152.2 148.32 27.45 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 118.449 1.125 . . . . 0.0 111.586 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.7 t -133.29 129.41 56.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 125.269 1.428 . . . . 0.0 109.713 174.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -113.93 106.45 14.45 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.17 1.388 . . . . 0.0 110.903 172.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -79.19 -8.65 59.18 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.229 -0.92 . . . . 0.0 112.603 178.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.7 mtm180 -67.8 -23.16 65.17 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.298 1.839 . . . . 0.0 113.339 169.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 88.9 p -141.91 -10.05 0.9 Allowed 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 -171.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.27 6.32 88.85 Favored Glycine 0 CA--C 1.538 1.527 0 C-N-CA 125.493 1.521 . . . . 0.0 114.757 -177.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.9 t -74.02 133.08 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 CA-C-N 119.15 1.475 . . . . 0.0 111.686 -178.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 77.1 mt -116.02 125.71 73.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 126.855 2.062 . . . . 0.0 107.457 167.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 36.2 t -118.79 131.32 56.1 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.115 1.366 . . . . 0.0 110.776 -178.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.8 mt -101.59 148.11 25.62 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.448 1.099 . . . . 0.0 111.56 -178.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -128.58 157.74 41.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 125.965 1.706 . . . . 0.0 111.226 -178.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -71.49 125.48 27.15 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.573 -0.704 . . . . 0.0 112.065 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.759 0 C-N-CA 123.403 0.681 . . . . 0.0 112.629 173.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 74.5 mtm . . . . . 0 N--CA 1.469 0.49 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -82.66 173.66 11.72 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.25 1.02 . . . . 0.0 112.089 171.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -121.98 144.54 48.82 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.853 1.261 . . . . 0.0 110.922 164.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 73.2 t -99.84 144.05 12.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 125.117 1.367 . . . . 0.0 110.016 178.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 9.7 p -135.69 140.51 44.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 125.432 1.493 . . . . 0.0 111.496 173.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 pp -149.53 157.23 43.09 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.613 1.565 . . . . 0.0 112.709 -177.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 18.1 m -111.69 133.01 54.22 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.048 1.339 . . . . 0.0 111.16 177.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -83.37 161.7 21.28 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.454 1.502 . . . . 0.0 112.4 178.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.31 -21.66 65.43 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 169.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -70.33 -10.39 58.87 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.204 1.402 . . . . 0.0 113.917 172.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.14 -8.2 68.22 Favored Glycine 0 CA--C 1.539 1.587 0 C-N-CA 125.411 1.481 . . . . 0.0 114.44 -173.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.68 170.54 55.01 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 124.836 1.207 . . . . 0.0 112.927 170.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -126.84 153.56 45.5 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.633 1.173 . . . . 0.0 113.054 -179.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 68.9 t -132.88 144.17 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 126.376 1.871 . . . . 0.0 109.358 -176.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -131.76 149.11 52.57 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.098 1.359 . . . . 0.0 111.788 177.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -129.37 119.79 49.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 124.993 1.317 . . . . 0.0 109.142 173.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -94.74 170.82 29.76 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 124.847 1.213 . . . . 0.0 113.192 173.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 53.97 42.95 31.48 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.161 1.385 . . . . 0.0 113.46 178.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 70.1 t -80.81 121.61 34.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 125.436 1.495 . . . . 0.0 111.845 -176.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 89.9 mt -83.98 -32.5 24.95 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.807 1.243 . . . . 0.0 113.023 172.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -157.01 149.38 23.16 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.764 0.711 . . . . 0.0 112.294 -172.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 39.9 t -132.96 141.57 44.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 125.096 1.359 . . . . 0.0 109.716 170.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 41.3 mtt180 -134.22 136.13 43.46 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.801 1.64 . . . . 0.0 109.875 -179.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.428 0 C-N-CA 124.479 1.112 . . . . 0.0 111.288 179.806 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.42 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 70.0 t -83.05 137.69 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 123.462 0.705 . . . . 0.0 109.23 163.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -113.58 151.62 31.42 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.035 1.334 . . . . 0.0 111.064 173.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 41.2 t -136.51 141.33 41.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 125.318 1.447 . . . . 0.0 109.872 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 39.2 m -117.74 139.08 51.54 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.709 1.204 . . . . 0.0 110.634 177.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 25.4 p -128.84 155.06 45.81 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.182 1.393 . . . . 0.0 112.408 -178.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.41 -4.44 3.91 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 116.538 2.051 . . . . 0.0 116.538 -171.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -75.01 4.86 5.9 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.569 1.148 . . . . 0.0 113.289 167.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 59.43 25.47 14.22 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 126.628 1.971 . . . . 0.0 113.245 -164.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -90.74 154.79 19.28 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 124.509 1.124 . . . . 0.0 111.891 174.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -132.62 134.52 44.99 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 124.929 1.292 . . . . 0.0 110.903 174.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -114.07 154.05 28.39 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 126.638 1.975 . . . . 0.0 109.702 -176.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.96 137.91 26.47 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.538 0.735 . . . . 0.0 112.348 179.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -137.05 97.23 11.01 Favored Pre-proline 0 CA--C 1.546 0.801 0 C-N-CA 125.37 1.468 . . . . 0.0 111.034 -170.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_exo -61.58 148.89 91.94 Favored 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 123.966 3.11 . . . . 0.0 114.815 -178.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.88 19.69 78.36 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 124.337 0.97 . . . . 0.0 115.345 172.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 69.0 mt -112.45 166.73 11.04 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.347 1.459 . . . . 0.0 113.015 177.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -146.77 160.46 42.23 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 127.262 2.225 . . . . 0.0 109.938 164.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 50.6 mt -71.83 120.42 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 O-C-N 121.183 -0.948 . . . . 0.0 109.126 175.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.32 -41.75 6.44 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 124.726 1.155 . . . . 0.0 113.663 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 39.2 ptt85 -161.15 155.98 23.7 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.448 1.499 . . . . 0.0 112.708 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 24.9 t -132.91 114.79 22.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 C-N-CA 124.854 1.261 . . . . 0.0 108.763 171.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -111.17 89.0 2.92 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.479 1.112 . . . . 0.0 110.327 -167.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -67.76 -14.57 63.06 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 121.087 -1.008 . . . . 0.0 112.65 -176.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 53.9 mtm180 -60.48 -22.44 63.51 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.811 1.645 . . . . 0.0 113.743 166.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 21.3 t -132.86 -20.85 2.2 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.364 1.466 . . . . 0.0 113.905 -174.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.82 25.98 51.27 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 124.82 1.2 . . . . 0.0 113.714 -176.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 94.0 t -106.17 128.98 60.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.984 1.314 . . . . 0.0 111.843 -176.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 97.1 mt -102.19 117.82 48.12 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 C-N-CA 126.367 1.867 . . . . 0.0 107.95 165.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 32.7 t -106.38 126.32 52.1 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.423 0.689 . . . . 0.0 110.777 -178.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 32.9 mt -99.77 145.52 27.6 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.396 1.078 . . . . 0.0 111.891 175.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -133.76 156.68 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 126.295 1.838 . . . . 0.0 110.732 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 19.6 mp0 -70.86 129.8 40.01 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 121.363 -0.835 . . . . 0.0 112.283 -179.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? . . . . . 0 N--CA 1.477 0.925 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 179.989 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.736 0 CA-C-O 121.372 0.606 . . . . 0.0 112.292 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -124.79 149.42 47.41 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.662 1.185 . . . . 0.0 111.466 161.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 53.8 t -100.15 144.34 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 125.333 1.453 . . . . 0.0 110.24 174.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.5 p -135.74 140.71 43.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 125.622 1.569 . . . . 0.0 111.764 173.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.543 0.676 0 C-N-CA 125.753 1.621 . . . . 0.0 111.879 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 87.6 t . . . . . 0 N--CA 1.47 0.541 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -129.88 145.33 51.6 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.021 1.328 . . . . 0.0 111.25 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -126.32 109.94 22.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 125.321 1.448 . . . . 0.0 107.965 175.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.27 163.3 41.04 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 124.251 0.929 . . . . 0.0 113.787 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 52.98 48.18 22.99 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.954 1.702 . . . . 0.0 113.932 172.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.3 t -79.77 126.31 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 126.415 1.886 . . . . 0.0 112.241 -178.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 86.2 mt -80.73 -36.65 31.8 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.716 1.206 . . . . 0.0 112.3 172.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -158.6 150.03 20.86 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -175.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.5 t -134.11 142.17 41.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 126.24 1.816 . . . . 0.0 109.827 172.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -138.38 147.28 43.24 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.569 1.548 . . . . 0.0 111.493 174.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.433 0 C-N-CA 125.392 1.477 . . . . 0.0 109.998 176.626 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.523 0 CA-C-O 120.802 0.334 . . . . 0.0 111.466 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 72.3 t -112.32 142.67 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 123.71 0.804 . . . . 0.0 110.904 171.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -125.58 144.3 50.63 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.351 1.86 . . . . 0.0 109.793 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.7 t -137.3 145.34 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 125.534 1.534 . . . . 0.0 111.058 -173.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 86.6 m -124.53 128.77 49.44 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.781 1.233 . . . . 0.0 111.307 171.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 37.8 p -94.43 170.69 9.31 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.921 1.288 . . . . 0.0 112.826 177.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -58.31 -17.98 23.72 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 175.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -80.06 -0.96 37.82 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.684 1.194 . . . . 0.0 113.329 175.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 61.93 11.7 4.36 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.472 1.909 . . . . 0.0 113.888 -162.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -75.01 130.23 38.99 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.373 1.069 . . . . 0.0 111.277 174.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -96.87 148.43 22.94 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.425 1.09 . . . . 0.0 112.542 178.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -131.79 154.95 48.58 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.945 1.698 . . . . 0.0 110.453 171.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.81 146.22 35.63 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.05 0.94 . . . . 0.0 112.341 176.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -138.88 87.98 14.0 Favored Pre-proline 0 CA--C 1.545 0.755 0 C-N-CA 125.982 1.713 . . . . 0.0 110.323 -170.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -69.4 147.37 65.06 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 123.152 2.568 . . . . 0.0 112.369 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.87 3.39 90.51 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 125.515 1.531 . . . . 0.0 114.853 -177.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 35.3 mt -108.04 162.77 13.73 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 118.902 1.351 . . . . 0.0 113.413 178.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.44 161.05 38.86 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 127.875 2.47 . . . . 0.0 109.929 166.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 39.2 mt -72.28 122.25 24.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 O-C-N 120.976 -1.077 . . . . 0.0 109.425 175.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.1 -47.7 3.52 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 124.562 1.077 . . . . 0.0 113.302 -178.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.0 ptt85 -155.92 163.3 39.93 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.558 1.143 . . . . 0.0 112.531 173.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.2 t -126.66 128.38 71.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 123.965 0.906 . . . . 0.0 109.211 166.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -114.22 88.44 2.86 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.655 1.582 . . . . 0.0 110.445 -176.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -69.5 -10.71 59.25 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.394 1.478 . . . . 0.0 112.558 -173.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 62.2 mtt85 -61.02 -27.47 68.35 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.592 1.157 . . . . 0.0 112.222 169.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.7 m -135.16 0.66 2.87 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.585 1.554 . . . . 0.0 113.646 -176.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.96 32.65 73.59 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 124.717 1.151 . . . . 0.0 114.37 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.8 t -102.46 122.9 55.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 118.334 1.067 . . . . 0.0 111.788 -175.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.5 mt -97.67 112.54 29.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 125.751 1.62 . . . . 0.0 108.6 169.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.7 t -100.74 124.53 46.5 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 124.339 1.056 . . . . 0.0 111.859 -177.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.8 mt -98.72 149.8 22.46 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.81 1.244 . . . . 0.0 111.997 178.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -134.87 161.0 40.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 126.943 2.097 . . . . 0.0 110.528 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -70.83 133.01 46.14 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.205 -0.934 . . . . 0.0 112.101 176.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? . . . . . 0 N--CA 1.476 0.863 0 C-N-CA 123.831 0.852 . . . . 0.0 113.179 -178.926 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 5.5 mpp? . . . . . 0 N--CA 1.468 0.454 0 CA-C-O 121.363 0.601 . . . . 0.0 112.057 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.44 -177.21 6.08 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.839 1.255 . . . . 0.0 111.982 171.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -128.6 144.29 51.12 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.541 1.536 . . . . 0.0 111.105 164.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 25.5 t -100.35 142.45 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.736 1.214 . . . . 0.0 110.363 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 10.5 p -133.79 143.53 38.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 C-N-CA 125.903 1.681 . . . . 0.0 110.797 170.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp -138.02 151.19 47.64 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.621 1.568 . . . . 0.0 110.942 176.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 15.5 m -111.16 128.65 55.97 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.073 0.949 . . . . 0.0 110.795 176.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 36.5 mtmt -79.84 164.83 23.3 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 126.292 1.837 . . . . 0.0 112.726 179.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.12 -25.73 68.22 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.431 1.093 . . . . 0.0 113.815 174.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 44.3 p30 -79.94 -0.47 35.25 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.72 1.208 . . . . 0.0 113.78 175.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.13 -5.46 84.12 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 126.005 1.764 . . . . 0.0 115.642 -179.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.54 170.78 55.11 Favored Glycine 0 CA--C 1.538 1.505 0 CA-C-N 118.976 1.388 . . . . 0.0 113.308 171.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -128.59 154.26 46.38 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.913 1.285 . . . . 0.0 113.11 -179.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 46.1 t -133.92 143.49 38.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 126.276 1.831 . . . . 0.0 109.466 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 17.5 mp0 -130.27 150.86 51.32 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.018 0.927 . . . . 0.0 112.838 -175.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -133.01 107.31 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 125.56 1.544 . . . . 0.0 108.612 173.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.74 156.87 39.06 Favored Glycine 0 CA--C 1.531 1.036 0 C-N-CA 124.113 0.863 . . . . 0.0 114.03 -179.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 52.9 46.19 27.26 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 126.226 1.811 . . . . 0.0 113.586 174.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 11.1 p -67.93 130.39 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 124.145 0.978 . . . . 0.0 111.325 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 86.6 mt -86.88 -33.3 19.81 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.395 1.478 . . . . 0.0 111.866 172.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 70.8 tt0 -155.37 143.16 19.82 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.198 0.999 . . . . 0.0 112.157 178.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 7.6 p -130.83 138.43 53.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.655 1.582 . . . . 0.0 109.412 171.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 42.9 mtt85 -135.8 128.76 31.35 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.98 1.312 . . . . 0.0 110.578 -170.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.55 0 C-N-CA 125.083 1.353 . . . . 0.0 109.328 172.548 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.502 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 81.3 t -114.46 137.47 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 123.43 0.692 . . . . 0.0 111.555 164.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -114.61 151.88 32.77 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.564 1.546 . . . . 0.0 111.243 169.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 28.4 m -136.3 149.42 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 125.598 1.559 . . . . 0.0 111.102 176.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 28.0 m -132.38 135.29 46.04 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 126.033 1.733 . . . . 0.0 110.812 -178.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 23.1 p -120.08 166.38 13.47 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.989 0.916 . . . . 0.0 113.303 -177.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -65.2 -9.01 19.93 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 174.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -84.48 11.2 9.06 Favored 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 124.942 1.297 . . . . 0.0 113.159 172.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 61.07 11.4 3.39 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 127.165 2.186 . . . . 0.0 114.812 -170.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -85.83 148.98 25.56 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.088 1.355 . . . . 0.0 112.03 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -128.53 151.51 49.36 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.266 1.026 . . . . 0.0 112.376 166.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -131.03 157.49 42.88 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.222 1.409 . . . . 0.0 110.633 172.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -136.49 141.69 43.5 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.717 1.207 . . . . 0.0 111.938 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -139.27 90.01 11.96 Favored Pre-proline 0 CA--C 1.544 0.736 0 C-N-CA 125.675 1.59 . . . . 0.0 110.654 -172.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -66.19 146.83 82.66 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 122.945 2.43 . . . . 0.0 112.221 177.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.29 2.33 90.57 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 125.182 1.372 . . . . 0.0 115.428 -177.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 28.8 mt -99.26 163.65 12.46 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.128 1.464 . . . . 0.0 113.635 175.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -144.8 160.08 41.83 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 127.408 2.283 . . . . 0.0 110.587 164.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 29.1 mt -73.42 122.1 25.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 O-C-N 121.239 -0.913 . . . . 0.0 109.249 174.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.3 -36.05 3.97 Favored Glycine 0 CA--C 1.532 1.104 0 C-N-CA 124.4 1.0 . . . . 0.0 114.368 -177.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -153.7 145.05 23.06 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.669 1.588 . . . . 0.0 110.847 -173.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 39.9 t -136.96 105.68 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 125.987 1.715 . . . . 0.0 107.927 174.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -113.37 101.02 8.99 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.322 1.049 . . . . 0.0 110.421 -173.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -75.07 -16.48 60.57 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.196 1.398 . . . . 0.0 112.781 -173.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 25.3 mtt85 -64.81 -40.51 95.34 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 118.931 0.787 . . . . 0.0 111.319 172.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 55.2 m -93.34 -20.15 20.65 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.263 1.425 . . . . 0.0 113.614 175.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.86 31.59 62.06 Favored Glycine 0 CA--C 1.533 1.21 0 C-N-CA 124.391 0.996 . . . . 0.0 113.255 -171.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 94.6 t -114.65 130.99 68.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.561 1.144 . . . . 0.0 112.194 -171.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 14.3 mt -103.93 120.49 54.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 126.414 1.885 . . . . 0.0 108.482 169.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 15.8 m -104.44 121.1 42.72 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.256 1.022 . . . . 0.0 111.149 175.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 25.8 mt -91.05 149.37 21.85 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.29 1.036 . . . . 0.0 111.053 171.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -133.81 157.86 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 126.1 1.76 . . . . 0.0 110.621 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -70.32 130.56 42.3 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.729 -0.607 . . . . 0.0 110.653 173.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? . . . . . 0 N--CA 1.473 0.713 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -166.127 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.494 0 CA-C-O 121.096 0.474 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -140.41 129.26 23.22 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.739 1.616 . . . . 0.0 111.412 177.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 20.2 t -99.71 144.54 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 125.338 1.455 . . . . 0.0 110.664 -178.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.8 p -137.2 139.69 43.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 125.263 1.425 . . . . 0.0 111.14 174.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 pp . . . . . 0 CA--C 1.539 0.546 0 C-N-CA 125.625 1.57 . . . . 0.0 112.125 -177.316 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.7 t . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 120.767 0.317 . . . . 0.0 110.626 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.3 mp0 -128.98 147.34 50.85 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.313 1.445 . . . . 0.0 111.115 174.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 54.0 mt -133.04 118.57 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 125.407 1.483 . . . . 0.0 108.725 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.87 168.12 31.27 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 124.554 1.073 . . . . 0.0 114.228 175.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 54.6 41.62 31.82 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.764 1.626 . . . . 0.0 114.112 174.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 74.8 t -72.83 130.78 35.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 125.511 1.524 . . . . 0.0 112.172 -176.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 97.5 mt -98.21 -35.51 10.34 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.214 1.406 . . . . 0.0 113.276 174.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.2 tt0 -156.92 143.81 18.55 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.125 0.97 . . . . 0.0 111.661 -171.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.3 t -137.45 137.81 45.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 126.17 1.788 . . . . 0.0 109.276 174.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -133.84 146.15 50.36 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.797 1.639 . . . . 0.0 111.712 -179.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.438 0 C-N-CA 125.33 1.452 . . . . 0.0 110.321 173.595 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.625 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.7 t -121.05 140.01 46.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 C-N-CA 124.812 1.245 . . . . 0.0 111.558 175.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -120.76 147.48 45.26 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.977 2.111 . . . . 0.0 109.339 174.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -149.9 143.49 17.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 123.674 0.79 . . . . 0.0 112.598 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 61.3 m -127.46 145.48 50.82 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 126.326 1.85 . . . . 0.0 111.697 -175.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 43.6 p -125.49 166.35 16.8 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.887 1.275 . . . . 0.0 113.707 -169.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.5 tt -52.53 -30.28 29.62 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.663 1.985 . . . . 0.0 113.955 173.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -74.51 2.2 10.17 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.251 1.42 . . . . 0.0 113.803 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.1 t0 60.79 18.71 8.9 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.4 1.88 . . . . 0.0 113.095 -167.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -88.67 144.16 26.46 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.901 1.281 . . . . 0.0 110.896 174.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -136.25 137.36 40.69 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.103 1.361 . . . . 0.0 111.509 -175.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 61.0 m-70 -129.17 152.11 49.11 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.945 1.698 . . . . 0.0 111.332 -169.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -137.34 141.1 41.82 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.74 1.216 . . . . 0.0 111.951 176.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -140.14 91.99 9.79 Favored Pre-proline 0 CA--C 1.543 0.676 0 C-N-CA 125.496 1.518 . . . . 0.0 110.32 -173.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -68.99 148.94 71.16 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 123.04 2.493 . . . . 0.0 111.901 175.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.06 -2.95 85.79 Favored Glycine 0 CA--C 1.535 1.331 0 C-N-CA 125.43 1.49 . . . . 0.0 114.894 -175.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 40.3 mt -104.67 162.32 13.39 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 118.843 1.321 . . . . 0.0 113.7 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.03 158.07 45.07 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 127.488 2.315 . . . . 0.0 109.915 164.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 48.7 mt -71.95 114.97 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 174.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.54 -50.87 2.64 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 124.333 0.968 . . . . 0.0 113.827 -172.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 65.6 ttt180 -151.3 145.91 25.66 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.801 1.24 . . . . 0.0 112.004 -173.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.8 t -138.47 115.84 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 125.722 1.609 . . . . 0.0 109.33 -178.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -106.43 101.51 10.97 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.31 1.044 . . . . 0.0 110.483 178.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -67.56 -16.4 64.17 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.022 -1.049 . . . . 0.0 112.305 176.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 44.8 mtm105 -63.82 -20.01 65.46 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.731 2.012 . . . . 0.0 114.061 170.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.0 t -141.97 -13.13 0.84 Allowed 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 114.7 1.371 . . . . 0.0 114.7 -175.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.67 15.7 81.36 Favored Glycine 0 CA--C 1.536 1.344 0 O-C-N 120.643 -1.285 . . . . 0.0 113.58 -174.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.1 t -82.5 132.49 31.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 CA-C-N 118.653 1.226 . . . . 0.0 111.083 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 94.7 mt -120.52 109.17 24.78 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 C-N-CA 125.93 1.692 . . . . 0.0 108.444 174.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.1 m -96.28 120.75 37.14 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 124.589 1.155 . . . . 0.0 110.674 178.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.3 mt -91.11 151.08 21.14 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.575 0.75 . . . . 0.0 111.087 170.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -133.16 153.83 38.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 125.22 1.408 . . . . 0.0 111.156 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.1 mp0 -65.27 125.11 24.02 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.92 0.888 . . . . 0.0 109.77 173.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? . . . . . 0 N--CA 1.473 0.68 0 N-CA-C 114.452 1.279 . . . . 0.0 114.452 -158.621 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 44.8 mtm . . . . . 0 N--CA 1.478 0.95 0 N-CA-C 115.699 1.74 . . . . 0.0 115.699 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -97.02 179.73 4.83 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.75 1.62 . . . . 0.0 112.028 175.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -118.0 150.92 38.47 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.822 1.249 . . . . 0.0 112.031 161.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 74.4 t -100.6 144.88 12.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 124.902 1.281 . . . . 0.0 110.082 171.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 14.4 p -132.36 143.23 40.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 125.307 1.443 . . . . 0.0 111.634 168.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 pp -148.79 160.93 42.74 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.45 1.5 . . . . 0.0 112.588 -179.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 19.5 m -117.51 130.24 56.31 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.212 1.405 . . . . 0.0 110.521 175.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -78.41 164.14 25.04 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 126.076 1.75 . . . . 0.0 112.331 178.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.18 -25.06 67.56 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 175.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -79.03 -2.22 39.27 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.843 1.257 . . . . 0.0 113.729 173.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.32 -4.52 85.48 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 125.587 1.565 . . . . 0.0 115.6 -179.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.65 153.7 44.49 Favored Glycine 0 CA--C 1.535 1.296 0 CA-C-N 118.938 1.369 . . . . 0.0 112.151 172.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 92.3 mtm-85 -111.36 152.46 27.26 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.55 1.14 . . . . 0.0 113.037 -179.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 85.7 t -135.72 141.0 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 126.065 1.746 . . . . 0.0 109.867 -177.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -125.07 145.97 49.67 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.364 1.466 . . . . 0.0 111.709 176.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 50.5 mt -130.32 110.69 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 125.209 1.404 . . . . 0.0 108.444 177.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.16 154.89 33.92 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 123.978 0.799 . . . . 0.0 114.059 -179.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 52.28 54.46 10.69 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.7 2.0 . . . . 0.0 113.671 171.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 28.4 m -79.14 135.84 24.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 C-N-CA 124.257 1.023 . . . . 0.0 112.199 178.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 91.3 mt -82.02 -35.0 29.31 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.998 1.319 . . . . 0.0 112.082 170.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -158.97 142.11 14.62 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 118.465 0.575 . . . . 0.0 112.264 -169.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 3.5 t -140.38 135.43 35.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 125.209 1.403 . . . . 0.0 109.011 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.44 142.56 16.96 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 -178.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.663 0 C-N-CA 125.735 1.614 . . . . 0.0 110.07 173.708 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.732 0 CA-C-O 120.456 0.17 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 68.1 t -109.12 139.61 31.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 C-N-CA 123.542 0.737 . . . . 0.0 111.412 166.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 65.1 mtp180 -113.16 148.67 34.92 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.852 1.661 . . . . 0.0 111.454 168.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 3.0 t -135.69 140.36 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 126.36 1.864 . . . . 0.0 109.66 -177.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 39.6 m -122.49 132.97 54.59 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.918 1.287 . . . . 0.0 110.231 174.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 33.5 p -103.34 165.44 11.03 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.248 1.419 . . . . 0.0 112.58 178.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -58.93 -18.02 29.74 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 176.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -79.31 -1.53 37.22 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.188 1.395 . . . . 0.0 113.423 174.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 26.0 t0 60.9 17.21 7.6 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.953 1.701 . . . . 0.0 113.915 -165.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -80.58 136.33 36.23 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.716 1.206 . . . . 0.0 110.257 166.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -112.34 154.01 26.36 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.865 0.866 . . . . 0.0 113.102 174.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -130.77 150.92 51.72 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.243 1.817 . . . . 0.0 110.075 176.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.24 139.79 28.87 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.542 0.737 . . . . 0.0 112.435 -175.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -141.11 96.51 7.2 Favored Pre-proline 0 CA--C 1.543 0.702 0 C-N-CA 124.859 1.263 . . . . 0.0 111.981 -168.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -60.56 144.2 99.51 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 123.749 2.966 . . . . 0.0 113.51 174.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.34 1.75 90.48 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 125.076 1.322 . . . . 0.0 115.151 177.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 44.2 mt -100.01 161.47 13.59 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 118.789 1.294 . . . . 0.0 113.591 176.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -144.15 160.19 41.36 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 127.857 2.463 . . . . 0.0 109.578 164.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 49.4 mt -70.92 123.67 25.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 O-C-N 120.852 -1.155 . . . . 0.0 109.534 176.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.6 -34.56 4.95 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 125.032 1.301 . . . . 0.0 114.194 -178.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 74.3 ttt-85 -152.81 148.07 26.77 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 118.52 1.16 . . . . 0.0 112.551 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 45.4 t -133.71 128.84 54.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 126.746 2.018 . . . . 0.0 108.56 172.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -135.78 105.24 6.05 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 125.045 1.338 . . . . 0.0 111.25 -172.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -81.5 -16.03 53.1 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.455 1.102 . . . . 0.0 113.533 -178.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -73.87 -24.66 59.77 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.347 1.059 . . . . 0.0 112.384 177.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 49.5 m -121.61 -10.52 8.79 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.445 1.498 . . . . 0.0 114.798 176.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.32 43.09 32.76 Favored Glycine 0 CA--C 1.536 1.376 0 C-N-CA 124.448 1.023 . . . . 0.0 113.342 -179.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 86.5 t -125.56 137.28 58.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.866 1.266 . . . . 0.0 111.314 -171.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 81.5 mt -119.34 136.87 55.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 126.714 2.006 . . . . 0.0 108.436 169.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 29.9 t -128.37 133.73 48.69 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.186 0.994 . . . . 0.0 111.574 -177.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 24.6 mt -102.1 150.99 22.69 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.761 1.224 . . . . 0.0 112.257 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -132.43 158.13 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 126.519 1.927 . . . . 0.0 110.242 178.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -72.32 130.8 41.62 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.504 -0.747 . . . . 0.0 110.914 175.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? . . . . . 0 N--CA 1.477 0.885 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 -170.216 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.937 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -134.4 143.22 47.48 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.671 1.588 . . . . 0.0 111.872 167.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.8 t -99.66 142.6 14.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 125.89 1.676 . . . . 0.0 110.134 173.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.5 p -139.01 140.28 38.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.939 1.295 . . . . 0.0 111.578 173.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 pp . . . . . 0 N--CA 1.47 0.568 0 C-N-CA 125.186 1.395 . . . . 0.0 112.481 -178.901 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 56.0 t . . . . . 0 N--CA 1.48 1.055 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -128.61 137.54 51.74 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.469 1.508 . . . . 0.0 111.514 178.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 51.4 mt -132.57 102.56 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 125.946 1.699 . . . . 0.0 108.287 -178.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.91 177.15 54.44 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 123.786 0.707 . . . . 0.0 112.384 168.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 59.07 29.0 18.45 Favored 'General case' 0 CA--C 1.553 1.069 0 N-CA-C 114.325 1.232 . . . . 0.0 114.325 172.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.3 p -79.37 133.88 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 125.686 1.595 . . . . 0.0 112.782 -177.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 79.6 mt -97.96 -32.37 11.7 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.429 1.492 . . . . 0.0 113.065 173.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -155.83 146.77 22.27 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 119.161 0.892 . . . . 0.0 112.654 -175.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.5 t -136.98 139.64 44.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 126.101 1.76 . . . . 0.0 109.659 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -140.16 135.47 32.49 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.328 1.051 . . . . 0.0 112.6 179.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.659 0 C-N-CA 124.937 1.295 . . . . 0.0 109.142 162.847 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.606 0 N-CA-C 111.465 0.172 . . . . 0.0 111.465 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.4 t -98.81 139.06 21.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 O-C-N 122.141 -0.35 . . . . 0.0 110.66 164.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 67.5 mtt85 -123.25 150.78 43.04 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.91 1.684 . . . . 0.0 111.242 176.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.9 t -138.51 135.35 43.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 125.149 1.379 . . . . 0.0 110.012 -172.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 91.4 m -123.53 125.75 45.45 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.552 1.141 . . . . 0.0 111.162 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 43.0 p -98.53 165.79 11.66 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.483 1.113 . . . . 0.0 113.051 -178.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 pp -65.82 -14.22 61.0 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 114.274 1.212 . . . . 0.0 114.274 173.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -78.73 0.73 25.61 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.381 1.072 . . . . 0.0 113.021 173.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 62.07 11.18 4.13 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 127.057 2.143 . . . . 0.0 114.132 -167.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -79.87 141.48 36.1 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.518 1.127 . . . . 0.0 110.918 170.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -122.46 148.94 44.54 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.432 1.493 . . . . 0.0 112.246 -177.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 67.9 m-70 -130.11 152.73 49.24 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 126.049 1.739 . . . . 0.0 110.958 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -148.62 138.47 22.2 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.27 1.028 . . . . 0.0 112.292 -176.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -143.26 97.23 5.68 Favored Pre-proline 0 CA--C 1.546 0.82 0 C-N-CA 125.22 1.408 . . . . 0.0 111.443 -170.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -61.43 148.32 93.27 Favored 'Trans proline' 0 CA--C 1.534 0.518 0 C-N-CA 123.773 2.982 . . . . 0.0 114.201 175.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.66 3.7 90.25 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 124.968 1.27 . . . . 0.0 115.121 176.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 48.6 mt -100.97 162.97 12.52 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 118.716 1.258 . . . . 0.0 113.186 177.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.75 159.64 41.62 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 127.798 2.439 . . . . 0.0 109.835 162.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 82.6 mt -73.08 125.07 31.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 O-C-N 120.914 -1.116 . . . . 0.0 109.146 176.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.59 -36.72 4.21 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 125.176 1.369 . . . . 0.0 114.869 -173.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 29.9 mtm180 -147.78 158.41 44.01 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 118.758 1.279 . . . . 0.0 113.098 177.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.5 t -131.58 120.57 45.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 125.377 1.471 . . . . 0.0 108.162 159.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -123.09 84.91 2.34 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 122.471 1.129 . . . . 0.0 111.052 -165.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -70.54 -13.62 62.18 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.744 1.617 . . . . 0.0 112.848 -171.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.6 mtp-105 -62.24 -25.17 67.67 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.109 1.764 . . . . 0.0 112.825 170.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 89.4 p -138.14 -8.85 1.54 Allowed 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -176.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.81 32.31 53.96 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 124.2 0.905 . . . . 0.0 113.543 -177.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.7 t -107.44 139.27 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.672 1.189 . . . . 0.0 111.337 -178.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 94.1 mt -118.65 113.62 42.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 126.354 1.861 . . . . 0.0 107.834 174.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.4 m -96.74 135.82 38.15 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.505 0.722 . . . . 0.0 110.56 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.2 mp -108.47 149.49 28.73 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.86 1.664 . . . . 0.0 110.545 174.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -136.54 161.81 36.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 126.743 2.017 . . . . 0.0 111.175 -176.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -70.26 132.99 46.57 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.23 -0.918 . . . . 0.0 111.274 174.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.542 0.641 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 -174.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 4.3 mpp? . . . . . 0 N--CA 1.473 0.71 0 CA-C-O 121.671 0.748 . . . . 0.0 112.388 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.83 175.21 5.21 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.258 1.423 . . . . 0.0 114.244 -175.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -130.48 127.37 39.06 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.497 1.919 . . . . 0.0 111.314 175.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 27.3 t -99.39 145.62 10.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 125.508 1.523 . . . . 0.0 110.373 -176.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.8 p -140.21 143.51 29.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.232 1.013 . . . . 0.0 112.208 175.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 pp -150.91 157.53 43.02 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.761 1.625 . . . . 0.0 112.668 -178.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 18.2 m -112.4 132.66 54.91 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.658 1.183 . . . . 0.0 110.873 177.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 35.3 mtmt -80.07 163.03 24.48 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 126.389 1.876 . . . . 0.0 112.748 177.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.5 -25.45 68.0 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 174.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 41.3 p30 -80.03 -1.34 39.36 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.389 1.076 . . . . 0.0 113.824 175.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.21 -7.42 82.11 Favored Glycine 0 CA--C 1.541 1.7 0 C-N-CA 125.927 1.727 . . . . 0.0 115.572 179.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.65 171.67 54.21 Favored Glycine 0 CA--C 1.534 1.248 0 CA-C-N 118.677 1.239 . . . . 0.0 113.076 171.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -128.94 153.98 47.0 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.814 1.245 . . . . 0.0 113.015 -178.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 97.5 t -131.6 141.57 45.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 126.384 1.874 . . . . 0.0 109.41 -178.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -131.05 142.66 50.32 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.305 1.442 . . . . 0.0 111.537 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 25.6 mt -134.9 106.58 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.856 1.262 . . . . 0.0 109.558 -178.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.17 175.81 51.49 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 123.688 0.661 . . . . 0.0 113.483 173.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 58.28 32.67 22.34 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.229 1.412 . . . . 0.0 114.708 168.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 35.4 m -76.98 135.81 25.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 O-C-N 121.004 -1.06 . . . . 0.0 113.268 -176.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 74.6 mt -82.16 -37.22 26.49 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.231 1.013 . . . . 0.0 111.805 169.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -159.48 148.51 18.07 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.575 0.75 . . . . 0.0 111.752 -176.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 40.0 t -130.48 138.1 54.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 127.293 2.237 . . . . 0.0 108.698 172.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -136.81 133.23 35.7 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.547 1.539 . . . . 0.0 111.491 -178.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.715 0 C-N-CA 124.018 0.927 . . . . 0.0 110.801 162.814 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.664 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 75.6 t -117.92 144.84 24.86 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 124.861 1.264 . . . . 0.0 110.948 164.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -130.21 147.63 51.96 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 127.35 2.26 . . . . 0.0 110.444 178.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -154.05 145.79 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 123.733 0.813 . . . . 0.0 112.274 -173.505 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 33.3 m -132.15 134.88 45.93 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.754 1.222 . . . . 0.0 112.51 -175.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 29.8 p -91.5 164.19 13.89 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 125.279 1.432 . . . . 0.0 113.851 179.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -67.27 -15.51 63.73 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 173.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -94.85 20.74 8.39 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.362 1.465 . . . . 0.0 112.522 170.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 62.38 18.62 10.45 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 127.877 2.471 . . . . 0.0 115.472 173.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -81.76 126.49 31.88 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.024 -1.048 . . . . 0.0 110.683 173.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -98.84 142.28 30.57 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.734 1.214 . . . . 0.0 111.398 176.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -134.87 151.38 50.85 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.033 1.333 . . . . 0.0 110.9 177.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -147.43 141.72 26.26 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.389 1.075 . . . . 0.0 112.336 -178.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -142.23 95.9 6.6 Favored Pre-proline 0 CA--C 1.548 0.872 0 C-N-CA 125.302 1.441 . . . . 0.0 111.137 -170.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -64.29 149.04 90.95 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 123.271 2.648 . . . . 0.0 113.069 174.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.6 0.36 89.89 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 125.915 1.721 . . . . 0.0 115.023 178.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 37.0 mt -101.49 164.49 11.74 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.188 1.395 . . . . 0.0 114.112 179.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.76 160.56 40.52 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 128.625 2.77 . . . . 0.0 110.135 164.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 46.1 mt -73.62 120.19 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 O-C-N 121.043 -1.036 . . . . 0.0 109.355 175.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.73 -43.61 2.86 Favored Glycine 0 N--CA 1.475 1.253 0 C-N-CA 124.759 1.171 . . . . 0.0 114.464 -173.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 74.9 ttt-85 -149.42 143.15 25.53 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.704 1.202 . . . . 0.0 111.178 -177.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 41.2 t -131.59 126.15 57.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.368 1.467 . . . . 0.0 108.912 177.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -125.94 106.22 9.48 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.54 1.536 . . . . 0.0 110.29 -167.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -81.74 -11.19 59.13 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.999 0.92 . . . . 0.0 112.743 -178.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 44.1 mtm105 -80.65 -43.43 20.45 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.041 1.336 . . . . 0.0 111.008 176.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 10.8 t -99.72 -18.96 17.0 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.276 1.43 . . . . 0.0 114.136 179.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.08 17.1 72.95 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 124.833 1.206 . . . . 0.0 114.268 -175.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 74.7 t -87.6 140.42 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 125.066 1.346 . . . . 0.0 112.396 -175.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 88.2 mt -120.65 105.84 17.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 126.626 1.97 . . . . 0.0 108.026 168.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 15.5 m -93.02 119.65 32.5 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.262 1.025 . . . . 0.0 110.37 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 31.2 mt -91.57 147.28 23.13 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 123.901 0.88 . . . . 0.0 111.011 171.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -135.44 161.35 39.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 126.12 1.768 . . . . 0.0 110.228 -179.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -70.64 138.23 50.56 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.339 -0.85 . . . . 0.0 111.79 175.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? . . . . . 0 N--CA 1.482 1.139 0 O-C-N 121.584 -0.697 . . . . 0.0 112.342 162.61 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.652 0 CA-C-O 121.633 0.73 . . . . 0.0 112.618 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -131.25 135.06 47.02 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 125.588 1.555 . . . . 0.0 110.809 168.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 85.5 t -99.91 144.12 12.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 125.413 1.485 . . . . 0.0 110.117 -174.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -138.21 141.46 37.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 125.144 1.378 . . . . 0.0 111.654 173.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 pp . . . . . 0 CA--C 1.538 0.505 0 C-N-CA 126.178 1.791 . . . . 0.0 111.111 179.46 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 67.3 t . . . . . 0 N--CA 1.474 0.74 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.2 mp0 -131.37 146.46 52.29 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.394 1.478 . . . . 0.0 111.655 177.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 25.6 mt -133.63 118.43 30.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.998 1.319 . . . . 0.0 108.872 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.43 155.71 27.35 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 123.706 0.669 . . . . 0.0 114.264 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 53.19 47.77 23.67 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.446 1.899 . . . . 0.0 114.623 168.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 m -75.34 138.15 21.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 O-C-N 121.484 -0.76 . . . . 0.0 111.938 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 80.2 mt -85.07 -33.59 22.41 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.465 1.106 . . . . 0.0 112.009 171.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 69.9 tt0 -154.44 145.93 23.12 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 118.72 0.691 . . . . 0.0 112.036 -172.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.5 t -136.48 136.52 48.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 126.166 1.786 . . . . 0.0 109.425 174.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -131.15 130.31 42.9 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.945 1.698 . . . . 0.0 111.278 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.573 0 C-N-CA 124.024 0.929 . . . . 0.0 109.099 162.998 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.569 0 CA-C-O 121.094 0.473 . . . . 0.0 111.552 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 90.4 t -109.23 137.92 39.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 123.035 0.534 . . . . 0.0 110.377 159.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 74.8 mtt85 -123.96 149.56 45.81 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.959 1.704 . . . . 0.0 111.068 174.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 37.3 t -138.36 145.51 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 125.633 1.573 . . . . 0.0 111.384 -172.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 68.7 m -124.8 132.86 53.3 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 125.049 1.339 . . . . 0.0 110.741 171.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 38.5 p -98.35 167.91 10.55 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.337 1.455 . . . . 0.0 112.99 178.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -63.2 -15.39 56.83 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 174.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -82.47 -0.61 47.17 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.835 1.254 . . . . 0.0 113.628 174.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 61.74 13.13 5.13 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 126.273 1.829 . . . . 0.0 113.781 -164.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -76.8 147.39 37.24 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.142 0.977 . . . . 0.0 110.311 168.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -129.38 151.49 49.96 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.02 1.328 . . . . 0.0 112.71 -173.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 -134.4 154.16 51.52 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.866 1.667 . . . . 0.0 111.202 -178.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -148.91 139.24 22.41 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.421 1.088 . . . . 0.0 112.179 -178.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -142.49 95.02 6.62 Favored Pre-proline 0 CA--C 1.544 0.742 0 C-N-CA 125.369 1.467 . . . . 0.0 111.488 -172.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -61.94 146.82 96.17 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 123.703 2.935 . . . . 0.0 113.494 175.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.12 1.32 89.92 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 124.978 1.275 . . . . 0.0 114.867 177.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.2 mt -98.25 160.95 13.96 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 118.43 1.115 . . . . 0.0 112.887 176.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.18 159.95 41.22 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 127.55 2.34 . . . . 0.0 110.802 164.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 32.2 mt -74.07 120.45 23.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 177.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -100.74 -38.55 3.39 Favored Glycine 0 N--CA 1.475 1.244 0 C-N-CA 124.417 1.008 . . . . 0.0 114.389 -175.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 70.1 ttt-85 -153.43 146.85 24.89 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.254 1.422 . . . . 0.0 111.056 -176.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.3 t -130.63 119.91 46.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 125.201 1.401 . . . . 0.0 109.166 171.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -116.47 96.34 5.47 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.414 1.485 . . . . 0.0 110.07 -175.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -75.88 -4.22 39.64 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.036 0.934 . . . . 0.0 113.294 -170.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 72.0 mtt85 -61.91 -28.37 69.48 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.221 1.008 . . . . 0.0 112.724 171.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.0 t -138.56 10.09 2.69 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.594 1.558 . . . . 0.0 113.041 175.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.29 31.2 79.76 Favored Glycine 0 CA--C 1.537 1.462 0 O-C-N 120.336 -1.477 . . . . 0.0 113.876 -179.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.1 t -84.93 124.68 40.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-N 118.917 1.359 . . . . 0.0 111.338 -177.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 91.2 mt -104.43 110.09 29.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 126.163 1.785 . . . . 0.0 108.362 172.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 51.0 m -97.17 121.93 39.62 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.083 0.953 . . . . 0.0 111.298 178.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.3 mt -95.96 150.65 20.22 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.461 1.104 . . . . 0.0 112.005 174.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -135.98 160.66 38.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 126.627 1.971 . . . . 0.0 110.46 -178.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -69.42 131.84 45.41 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.315 -0.865 . . . . 0.0 110.643 172.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 . . . . . 0 CA--C 1.549 0.919 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 -170.247 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 41.2 mtm . . . . . 0 N--CA 1.471 0.593 0 N-CA-C 113.885 1.068 . . . . 0.0 113.885 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -90.37 177.52 6.37 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.075 1.35 . . . . 0.0 112.328 176.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -126.31 135.5 51.59 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.219 1.408 . . . . 0.0 110.808 160.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 42.2 t -99.66 142.47 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.349 1.06 . . . . 0.0 110.123 -178.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 14.7 p -137.1 143.65 34.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 125.467 1.507 . . . . 0.0 111.523 174.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 pp -152.65 157.06 40.4 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.475 1.51 . . . . 0.0 112.634 -178.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 18.8 m -111.52 130.76 55.63 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.116 1.366 . . . . 0.0 109.789 169.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -82.52 162.14 22.11 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.734 1.613 . . . . 0.0 112.753 179.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.67 -24.39 66.71 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 175.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -75.16 -4.6 39.72 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 125.318 1.447 . . . . 0.0 113.951 173.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.34 -5.22 81.56 Favored Glycine 0 CA--C 1.542 1.729 0 C-N-CA 125.307 1.432 . . . . 0.0 115.152 -176.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.43 167.36 54.81 Favored Glycine 0 CA--C 1.533 1.167 0 CA-C-N 118.273 1.036 . . . . 0.0 112.6 171.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -127.7 152.48 47.66 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.543 1.137 . . . . 0.0 113.162 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 64.6 t -135.22 139.61 46.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.699 1.6 . . . . 0.0 109.812 -177.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -128.52 147.18 50.68 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.572 1.549 . . . . 0.0 111.037 176.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 34.7 mt -135.33 120.83 29.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 125.21 1.404 . . . . 0.0 108.993 -177.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -94.06 160.91 24.23 Favored Glycine 0 CA--C 1.542 1.777 0 C-N-CA 124.87 1.224 . . . . 0.0 113.669 177.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 50.83 45.98 26.66 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.723 1.609 . . . . 0.0 112.797 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 74.9 t -74.14 118.5 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 124.301 1.04 . . . . 0.0 110.067 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 21.8 tp -97.23 -23.65 16.07 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.095 1.358 . . . . 0.0 112.354 -176.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -156.77 147.7 21.87 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.291 0.95 . . . . 0.0 112.58 175.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 25.8 t -135.48 142.1 40.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 126.109 1.764 . . . . 0.0 110.244 174.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -137.13 145.5 43.91 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 125.273 1.429 . . . . 0.0 111.33 176.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.497 0 C-N-CA 124.981 1.312 . . . . 0.0 111.011 177.094 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.589 0 CA-C-O 121.114 0.483 . . . . 0.0 112.214 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 94.2 t -102.55 137.98 28.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 123.854 0.861 . . . . 0.0 111.045 177.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -118.62 147.36 43.83 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.448 1.899 . . . . 0.0 110.312 175.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 22.1 t -136.55 140.81 42.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.662 1.585 . . . . 0.0 110.371 -178.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 46.3 m -123.75 127.55 48.29 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.935 1.294 . . . . 0.0 110.511 172.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 49.3 p -87.92 167.01 14.11 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.551 1.14 . . . . 0.0 112.847 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 60.5 tp -47.44 -35.14 8.09 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.613 1.965 . . . . 0.0 113.488 165.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -82.75 5.21 22.15 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.087 1.755 . . . . 0.0 113.589 -176.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 60.9 12.42 3.84 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.636 1.975 . . . . 0.0 114.333 -171.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -74.24 133.83 42.67 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 120.708 -1.245 . . . . 0.0 110.208 168.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -109.72 146.92 34.09 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.855 1.262 . . . . 0.0 112.37 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -134.76 152.03 51.43 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.827 1.651 . . . . 0.0 111.19 177.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.77 141.29 29.09 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.552 1.141 . . . . 0.0 111.79 -179.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -139.89 88.02 12.3 Favored Pre-proline 0 CA--C 1.543 0.688 0 C-N-CA 125.36 1.464 . . . . 0.0 110.776 -170.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -68.27 145.88 67.53 Favored 'Trans proline' 0 CA--C 1.537 0.668 0 C-N-CA 122.953 2.435 . . . . 0.0 111.785 174.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.53 4.4 73.44 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 125.569 1.557 . . . . 0.0 114.666 -175.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 50.7 mt -114.51 163.38 15.45 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.154 1.381 . . . . 0.0 113.362 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.37 160.34 40.34 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 127.293 2.237 . . . . 0.0 109.875 164.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 33.9 mt -71.09 120.04 18.41 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 O-C-N 121.186 -0.946 . . . . 0.0 108.775 173.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -94.74 -45.42 3.16 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 123.966 0.793 . . . . 0.0 113.366 -178.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 41.6 ttp85 -150.03 147.15 27.48 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.58 1.152 . . . . 0.0 111.72 -173.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 24.4 t -129.32 130.77 67.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 125.393 1.477 . . . . 0.0 108.503 171.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -133.34 100.98 5.0 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.027 1.331 . . . . 0.0 110.375 -173.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -81.72 -8.97 59.75 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.423 1.489 . . . . 0.0 113.233 -168.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 25.6 mtm180 -68.89 -23.46 64.2 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.039 1.336 . . . . 0.0 112.036 171.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 44.9 m -128.61 -0.4 5.51 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.24 1.816 . . . . 0.0 113.83 179.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.86 24.73 73.01 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 124.697 1.141 . . . . 0.0 114.516 -176.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.7 t -91.59 135.17 27.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-N 118.865 1.333 . . . . 0.0 111.596 -173.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 89.5 mt -113.4 121.73 66.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 125.935 1.694 . . . . 0.0 107.31 165.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 34.4 t -114.24 123.28 49.17 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 124.663 1.185 . . . . 0.0 111.25 -177.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 23.3 mt -94.11 148.77 21.86 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.547 1.139 . . . . 0.0 112.215 178.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -130.22 158.72 42.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 125.958 1.703 . . . . 0.0 110.783 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -69.9 129.48 39.63 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.593 -0.692 . . . . 0.0 111.587 177.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? . . . . . 0 N--CA 1.477 0.897 0 N-CA-C 114.093 1.145 . . . . 0.0 114.093 -174.807 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.873 0 CA-C-O 121.171 0.51 . . . . 0.0 112.094 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -130.23 142.99 50.52 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.512 1.525 . . . . 0.0 111.547 166.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 32.6 t -99.96 141.67 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.532 1.133 . . . . 0.0 109.8 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.3 p -140.73 142.78 29.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 123.841 0.856 . . . . 0.0 112.518 178.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 pp . . . . . 0 N--CA 1.47 0.535 0 C-N-CA 125.079 1.351 . . . . 0.0 113.017 -172.965 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.4 t . . . . . 0 N--CA 1.476 0.855 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -140.79 128.39 21.47 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.212 1.405 . . . . 0.0 110.37 -174.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 83.1 mt -131.8 110.01 16.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 124.743 1.217 . . . . 0.0 110.102 -166.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.22 159.48 41.26 Favored Glycine 0 CA--C 1.534 1.242 0 C-N-CA 124.37 0.986 . . . . 0.0 115.0 -176.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 55.29 44.42 27.47 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.269 1.828 . . . . 0.0 114.167 169.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -71.54 133.16 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 124.146 0.978 . . . . 0.0 110.825 -178.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.1 mt -85.15 -41.42 15.69 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.975 0.91 . . . . 0.0 111.289 174.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -153.42 143.53 22.2 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.497 1.119 . . . . 0.0 111.067 178.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.6 p -134.44 137.75 50.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 126.383 1.873 . . . . 0.0 109.907 175.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 32.6 mtp-105 -135.22 137.67 42.85 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.476 1.51 . . . . 0.0 111.452 -173.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.628 0 C-N-CA 125.054 1.342 . . . . 0.0 108.285 166.295 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.518 0 CA-C-O 120.695 0.284 . . . . 0.0 111.508 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.1 t -105.55 139.46 26.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 O-C-N 121.602 -0.686 . . . . 0.0 110.476 160.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -127.0 141.2 51.85 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 126.822 2.049 . . . . 0.0 109.966 -177.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.4 m -133.67 152.28 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 C-N-CA 124.834 1.254 . . . . 0.0 112.613 -174.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 47.9 m -134.23 134.84 42.47 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.974 1.709 . . . . 0.0 110.675 173.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.2 p -117.73 165.51 13.54 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 124.483 1.113 . . . . 0.0 112.886 -178.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -66.13 -9.45 31.59 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 114.914 1.449 . . . . 0.0 114.914 176.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -81.34 4.86 19.18 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.916 1.286 . . . . 0.0 113.084 171.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 61.87 16.01 7.63 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 127.266 2.226 . . . . 0.0 114.345 -170.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -78.39 150.52 33.13 Favored 'General case' 0 C--O 1.237 0.406 0 O-C-N 121.212 -0.93 . . . . 0.0 112.669 171.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -134.69 140.6 46.11 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.515 1.526 . . . . 0.0 110.6 172.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -143.16 155.64 44.6 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.543 1.537 . . . . 0.0 111.613 -178.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -139.84 145.97 38.77 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.129 1.372 . . . . 0.0 112.726 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -137.09 94.36 12.6 Favored Pre-proline 0 CA--C 1.545 0.759 0 C-N-CA 126.071 1.748 . . . . 0.0 110.096 -174.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.07 149.82 65.43 Favored 'Trans proline' 0 CA--C 1.534 0.48 0 C-N-CA 123.101 2.534 . . . . 0.0 113.512 -178.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.67 7.09 82.24 Favored Glycine 0 CA--C 1.531 1.061 0 C-N-CA 125.528 1.537 . . . . 0.0 114.905 -177.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 75.7 mt -113.44 161.08 17.76 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.971 1.309 . . . . 0.0 113.8 -177.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.1 160.86 39.37 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 127.793 2.437 . . . . 0.0 109.509 166.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 42.3 mt -73.82 121.51 24.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 O-C-N 120.977 -1.077 . . . . 0.0 109.183 178.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -95.63 -49.9 2.07 Favored Glycine 0 CA--C 1.528 0.886 0 C-N-CA 124.628 1.108 . . . . 0.0 114.054 -173.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 30.8 mtm105 -148.9 162.97 38.79 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.665 1.186 . . . . 0.0 111.892 178.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.4 t -130.59 125.27 58.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 123.654 0.782 . . . . 0.0 110.531 163.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -94.09 90.94 6.6 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.937 1.695 . . . . 0.0 110.005 170.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -68.67 -10.61 57.29 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 120.882 -1.136 . . . . 0.0 112.226 174.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -60.43 -29.0 68.72 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.522 1.929 . . . . 0.0 113.138 167.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 90.5 p -139.88 -7.67 1.24 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.11 1.364 . . . . 0.0 114.164 -171.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.98 16.52 78.78 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 124.997 1.284 . . . . 0.0 114.854 -177.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 97.9 t -88.92 121.88 39.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 CA-C-N 119.561 1.68 . . . . 0.0 111.81 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 93.6 mt -97.26 114.17 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 126.008 1.723 . . . . 0.0 107.768 168.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.9 t -100.71 122.58 43.59 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.551 1.14 . . . . 0.0 111.28 -176.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.0 mt -93.32 151.89 19.5 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.428 1.091 . . . . 0.0 112.759 175.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -136.91 162.11 34.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 126.489 1.916 . . . . 0.0 110.923 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 54.8 mp0 -68.75 133.17 47.99 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.462 -0.774 . . . . 0.0 111.656 178.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? . . . . . 0 N--CA 1.477 0.876 0 N-CA-C 114.659 1.355 . . . . 0.0 114.659 -173.582 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 4.2 mpp? . . . . . 0 CA--C 1.552 1.035 0 CA-C-O 122.124 0.964 . . . . 0.0 113.388 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.03 -176.8 4.62 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.942 1.697 . . . . 0.0 110.832 175.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -125.56 142.43 51.51 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.66 0.784 . . . . 0.0 112.869 166.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 25.4 t -100.45 142.76 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.846 1.658 . . . . 0.0 110.129 176.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 14.6 p -134.05 138.62 49.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 125.069 1.348 . . . . 0.0 111.76 175.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 pp -150.17 159.37 44.47 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.241 1.416 . . . . 0.0 112.682 -174.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 13.4 m -109.22 132.18 54.37 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.165 1.386 . . . . 0.0 110.835 175.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -80.97 163.16 23.51 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.583 1.553 . . . . 0.0 112.983 178.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.88 -21.94 65.13 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 123.768 0.827 . . . . 0.0 112.827 166.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -69.27 -11.49 60.85 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.658 1.583 . . . . 0.0 113.434 171.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.6 -10.64 49.93 Favored Glycine 0 CA--C 1.54 1.655 0 C-N-CA 125.573 1.558 . . . . 0.0 115.008 -172.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.44 170.64 54.91 Favored Glycine 0 CA--C 1.532 1.14 0 CA-C-N 118.325 1.063 . . . . 0.0 112.805 170.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -122.56 153.25 39.49 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.95 1.3 . . . . 0.0 113.258 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 88.2 t -130.93 136.63 57.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 126.342 1.857 . . . . 0.0 110.009 -177.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -116.8 142.69 46.59 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.173 1.389 . . . . 0.0 110.73 170.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 69.7 mt -128.42 109.39 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 125.622 1.569 . . . . 0.0 108.201 -176.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.2 165.17 41.01 Favored Glycine 0 CA--C 1.538 1.518 0 C-N-CA 124.34 0.972 . . . . 0.0 114.345 -178.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 53.4 39.38 29.82 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.252 1.821 . . . . 0.0 114.092 174.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 61.7 t -70.97 126.1 30.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 125.227 1.411 . . . . 0.0 110.35 178.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 5.0 tt -105.65 -23.9 12.66 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.321 1.848 . . . . 0.0 112.719 -176.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -153.99 149.05 26.82 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.07 1.348 . . . . 0.0 110.79 167.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 11.5 p -140.67 145.91 24.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.807 1.243 . . . . 0.0 110.657 173.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 35.0 mtt85 -143.71 123.38 13.32 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.378 1.471 . . . . 0.0 111.993 -169.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.725 0 C-N-CA 124.138 0.975 . . . . 0.0 108.527 162.083 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.606 0 CA-C-O 120.851 0.358 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 64.9 t -97.94 133.15 41.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 O-C-N 121.864 -0.522 . . . . 0.0 110.016 154.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.75 145.8 39.9 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.991 1.716 . . . . 0.0 109.307 168.579 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 13.5 p -145.2 142.91 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.134 0.973 . . . . 0.0 111.473 -172.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 37.3 m -124.68 138.14 54.31 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.859 2.064 . . . . 0.0 110.763 -172.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 40.4 p -108.85 164.17 12.63 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.531 1.132 . . . . 0.0 111.614 172.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -64.88 -11.41 37.46 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 175.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -77.24 1.11 19.52 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.637 1.175 . . . . 0.0 113.152 172.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.2 t0 60.83 18.52 8.76 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 127.03 2.132 . . . . 0.0 113.846 -168.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 60.1 tt0 -86.6 141.8 28.73 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.251 1.42 . . . . 0.0 110.655 170.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -127.37 152.13 47.89 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.772 1.229 . . . . 0.0 112.857 177.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 67.6 m-70 -132.6 158.38 42.37 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.825 1.65 . . . . 0.0 111.113 178.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -140.73 141.13 34.93 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.471 1.109 . . . . 0.0 112.318 -176.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -140.34 93.05 9.09 Favored Pre-proline 0 CA--C 1.543 0.699 0 C-N-CA 125.635 1.574 . . . . 0.0 111.233 -174.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -59.84 146.64 95.17 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 124.044 3.163 . . . . 0.0 114.271 178.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.58 6.39 88.2 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.551 1.072 . . . . 0.0 115.211 178.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 48.7 mt -102.83 162.32 13.02 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 118.764 1.282 . . . . 0.0 113.252 174.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.56 162.47 35.8 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 127.758 2.423 . . . . 0.0 110.022 164.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 33.1 mt -73.84 120.0 22.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 O-C-N 120.868 -1.145 . . . . 0.0 108.897 175.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.32 -34.0 5.75 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 124.092 0.853 . . . . 0.0 114.63 -177.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 27.5 ttp85 -157.73 147.06 19.83 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.989 1.316 . . . . 0.0 111.584 -173.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 7.7 t -126.59 131.59 71.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 124.354 1.061 . . . . 0.0 109.207 164.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -129.48 95.53 4.03 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 126.462 1.905 . . . . 0.0 110.081 -171.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -80.73 -15.48 56.37 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.818 1.247 . . . . 0.0 112.786 -166.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -67.4 -18.44 65.12 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.054 0.941 . . . . 0.0 112.614 170.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 49.5 m -127.89 -5.48 5.66 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.373 1.469 . . . . 0.0 114.609 176.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.83 31.81 73.26 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 124.522 1.058 . . . . 0.0 114.614 -175.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 94.1 t -103.39 137.25 32.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.562 1.145 . . . . 0.0 112.053 -173.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 13.1 mt -115.15 109.83 29.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 C-N-CA 126.302 1.841 . . . . 0.0 107.671 171.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 18.0 m -94.81 121.33 36.28 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.563 -0.711 . . . . 0.0 110.766 178.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 28.1 mt -88.1 152.8 21.75 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.768 0.827 . . . . 0.0 111.919 173.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -132.57 158.09 43.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 126.673 1.989 . . . . 0.0 111.037 178.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -70.26 127.13 31.73 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.204 1.002 . . . . 0.0 110.524 173.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? . . . . . 0 CA--C 1.546 0.817 0 N-CA-C 114.317 1.228 . . . . 0.0 114.317 -169.456 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.775 0 CA-C-O 120.541 0.21 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -105.46 143.8 33.12 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.802 0.841 . . . . 0.0 111.776 163.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.6 t -99.27 137.59 26.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 125.015 1.326 . . . . 0.0 109.045 171.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.9 p -132.63 141.67 44.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 125.078 1.351 . . . . 0.0 112.201 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 pp . . . . . 0 N--CA 1.47 0.545 0 C-N-CA 125.387 1.475 . . . . 0.0 112.365 -176.33 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.1 t . . . . . 0 N--CA 1.474 0.756 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -127.66 143.05 51.19 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.161 1.384 . . . . 0.0 111.628 179.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -129.09 102.67 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 126.095 1.758 . . . . 0.0 108.082 177.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.0 160.21 44.38 Favored Glycine 0 CA--C 1.533 1.219 0 C-N-CA 124.229 0.919 . . . . 0.0 114.25 179.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 52.56 47.52 24.52 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.524 1.53 . . . . 0.0 113.519 174.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.8 m -70.8 131.31 34.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 O-C-N 120.928 -1.107 . . . . 0.0 110.671 172.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.7 mt -77.18 -32.13 55.9 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.257 1.023 . . . . 0.0 111.278 167.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -157.71 149.71 22.2 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.181 1.393 . . . . 0.0 112.072 -178.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.1 p -138.55 138.58 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 126.514 1.926 . . . . 0.0 110.529 170.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.31 138.6 40.17 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.844 1.258 . . . . 0.0 111.476 -177.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.85 0 C-N-CA 125.261 1.424 . . . . 0.0 110.457 167.92 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.665 0 CA-C-O 121.004 0.43 . . . . 0.0 111.471 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 79.3 t -114.22 143.85 23.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 124.137 0.975 . . . . 0.0 111.285 167.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -130.19 143.99 51.1 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.344 1.458 . . . . 0.0 110.806 175.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.7 m -135.13 150.67 29.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 125.343 1.457 . . . . 0.0 111.236 -176.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 23.9 m -134.49 130.81 37.24 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.172 0.989 . . . . 0.0 110.121 173.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 21.0 p -97.09 168.77 10.25 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.553 1.141 . . . . 0.0 113.961 -172.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.9 tp -49.64 -30.89 9.7 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.064 2.146 . . . . 0.0 114.079 172.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -91.09 10.72 25.68 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.787 1.635 . . . . 0.0 113.666 -178.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 62.41 15.52 7.81 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.936 2.095 . . . . 0.0 114.772 -174.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -77.66 154.88 31.76 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.841 -1.162 . . . . 0.0 110.814 168.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -139.37 141.28 37.6 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.3 1.04 . . . . 0.0 111.334 -172.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 58.6 m-70 -137.04 156.37 48.51 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.058 1.343 . . . . 0.0 111.315 178.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.16 142.71 34.02 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.767 1.227 . . . . 0.0 111.533 -179.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -139.1 91.69 11.23 Favored Pre-proline 0 CA--C 1.544 0.747 0 C-N-CA 125.454 1.502 . . . . 0.0 111.084 -168.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -61.14 145.99 98.12 Favored 'Trans proline' 0 CA--C 1.535 0.526 0 C-N-CA 123.614 2.876 . . . . 0.0 113.525 175.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.01 2.28 88.4 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 125.03 1.3 . . . . 0.0 114.689 177.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 61.2 mt -107.75 161.48 14.85 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 118.705 1.252 . . . . 0.0 113.523 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.28 160.88 39.38 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 127.851 2.461 . . . . 0.0 109.723 165.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 30.6 mt -72.31 122.07 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 O-C-N 120.924 -1.11 . . . . 0.0 108.957 176.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.69 -37.1 3.55 Favored Glycine 0 N--CA 1.47 0.961 0 C-N-CA 124.078 0.847 . . . . 0.0 114.854 -175.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -152.81 144.6 23.58 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.261 1.024 . . . . 0.0 111.733 -172.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.5 t -136.22 119.21 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 125.649 1.58 . . . . 0.0 108.824 176.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -120.88 108.46 13.94 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.524 1.129 . . . . 0.0 110.773 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -82.3 -14.44 55.39 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.176 1.39 . . . . 0.0 112.953 -173.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 29.8 mtm180 -73.05 -41.87 63.7 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.57 1.148 . . . . 0.0 110.643 173.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.7 t -90.59 -30.39 17.24 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.492 1.517 . . . . 0.0 113.898 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.36 42.39 9.34 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.526 1.06 . . . . 0.0 112.794 -174.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 81.3 t -130.16 139.66 50.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 124.456 1.103 . . . . 0.0 111.431 -171.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 81.3 mt -123.2 117.47 51.67 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 C-N-CA 126.79 2.036 . . . . 0.0 108.51 177.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.8 m -102.83 129.06 49.39 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.936 0.895 . . . . 0.0 110.989 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.3 mt -90.76 151.53 21.17 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.646 1.178 . . . . 0.0 111.584 172.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -134.03 161.56 40.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 126.014 1.726 . . . . 0.0 110.777 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -64.42 126.0 26.41 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.72 0.808 . . . . 0.0 111.532 174.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? . . . . . 0 N--CA 1.479 0.996 0 O-C-N 121.275 -0.891 . . . . 0.0 112.959 177.052 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 4.8 mpp? . . . . . 0 N--CA 1.473 0.682 0 CA-C-O 121.767 0.794 . . . . 0.0 112.844 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.21 -178.36 3.88 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.038 1.335 . . . . 0.0 112.942 172.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -132.78 150.57 52.14 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.097 1.759 . . . . 0.0 111.251 166.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 9.5 t -107.02 144.26 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 C-N-CA 125.047 1.339 . . . . 0.0 110.761 176.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.9 p -139.53 144.37 28.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 125.096 1.358 . . . . 0.0 112.217 173.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 pp -153.74 164.25 38.63 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.235 1.814 . . . . 0.0 112.164 178.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 20.9 m -116.81 128.92 55.75 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.516 1.126 . . . . 0.0 110.471 170.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -74.45 165.21 25.58 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.553 1.141 . . . . 0.0 112.999 178.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.58 -20.94 63.85 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 123.838 0.855 . . . . 0.0 112.939 165.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -69.13 -10.85 59.66 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.686 1.594 . . . . 0.0 113.439 170.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.35 -9.88 52.4 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 125.673 1.606 . . . . 0.0 114.725 -172.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.76 142.82 23.87 Favored Glycine 0 CA--C 1.532 1.126 0 CA-C-N 118.653 1.227 . . . . 0.0 112.283 175.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 96.2 mtm-85 -86.91 151.98 22.83 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.36 1.064 . . . . 0.0 112.374 176.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 85.8 t -132.33 139.15 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 125.947 1.699 . . . . 0.0 109.429 177.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -134.06 142.93 47.75 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.266 1.426 . . . . 0.0 111.363 -178.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 37.5 mt -130.78 114.16 26.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 125.316 1.446 . . . . 0.0 109.154 178.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -86.39 158.44 31.26 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 123.772 0.701 . . . . 0.0 114.061 177.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 54.23 44.51 28.98 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 126.412 1.885 . . . . 0.0 114.446 171.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 11.8 p -75.09 138.47 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.393 1.077 . . . . 0.0 112.533 -177.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 76.4 mt -91.4 -37.76 13.0 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.255 1.022 . . . . 0.0 112.724 174.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -152.24 145.19 24.46 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.919 0.888 . . . . 0.0 112.53 -177.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 9.9 t -135.58 140.27 44.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 125.826 1.651 . . . . 0.0 109.883 172.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -135.28 136.49 41.68 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.644 1.577 . . . . 0.0 111.111 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.698 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 160.687 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.678 0 CA-C-O 120.793 0.33 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 71.2 t -107.11 138.52 32.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 123.225 0.61 . . . . 0.0 110.413 162.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -130.1 138.79 50.88 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 126.285 1.834 . . . . 0.0 109.593 -179.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -146.51 145.97 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 124.015 0.926 . . . . 0.0 112.113 -168.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 47.5 m -131.77 126.33 34.15 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.802 1.241 . . . . 0.0 112.932 -177.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 30.7 p -87.37 170.48 11.36 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 124.997 1.319 . . . . 0.0 113.65 178.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -62.02 -15.47 44.54 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 172.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -87.16 3.96 44.28 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.774 1.23 . . . . 0.0 113.162 174.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 62.32 12.96 5.6 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.783 2.033 . . . . 0.0 114.21 -168.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -73.0 127.36 32.33 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.231 -0.918 . . . . 0.0 110.473 171.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -99.72 149.14 23.63 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.962 1.305 . . . . 0.0 112.284 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -135.07 147.47 49.58 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 126.091 1.756 . . . . 0.0 110.734 178.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.11 139.23 28.75 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.239 1.015 . . . . 0.0 112.598 -178.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -139.77 90.4 11.05 Favored Pre-proline 0 CA--C 1.542 0.671 0 C-N-CA 125.312 1.445 . . . . 0.0 110.847 -173.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -66.05 145.12 78.42 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 123.375 2.717 . . . . 0.0 112.416 177.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.7 3.15 83.93 Favored Glycine 0 CA--C 1.539 1.549 0 C-N-CA 124.929 1.252 . . . . 0.0 114.8 -177.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 64.1 mt -109.53 162.3 14.52 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 118.852 1.326 . . . . 0.0 113.598 177.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.46 162.0 35.6 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 128.056 2.542 . . . . 0.0 109.737 162.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 58.1 mt -72.14 124.92 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 O-C-N 121.157 -0.964 . . . . 0.0 109.044 177.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -106.03 -34.34 3.24 Favored Glycine 0 CA--C 1.527 0.784 0 C-N-CA 124.736 1.16 . . . . 0.0 114.718 -172.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 34.6 ttp85 -155.21 148.31 24.72 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.016 1.408 . . . . 0.0 111.784 -177.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 8.8 t -130.82 127.74 61.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 123.412 0.685 . . . . 0.0 109.267 161.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -118.9 86.93 2.64 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.53 1.532 . . . . 0.0 110.06 -174.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -65.02 -20.7 66.63 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.045 1.338 . . . . 0.0 113.126 -169.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 55.7 mtm180 -61.99 -25.82 67.86 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.981 1.313 . . . . 0.0 113.224 172.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 8.1 t -127.41 -7.06 5.81 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.492 1.517 . . . . 0.0 113.791 -178.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.21 24.1 74.27 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 125.345 1.45 . . . . 0.0 114.634 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 84.1 t -98.46 126.31 51.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 CA-C-N 118.628 1.214 . . . . 0.0 111.457 -175.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 83.1 mt -97.95 128.88 48.91 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 C-N-CA 127.15 2.18 . . . . 0.0 107.965 165.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 23.1 t -123.99 138.9 54.39 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.315 1.046 . . . . 0.0 111.117 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 23.5 mt -109.45 151.31 26.87 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.991 1.317 . . . . 0.0 112.276 -175.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -132.91 159.33 43.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 126.048 1.739 . . . . 0.0 111.445 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -70.66 128.73 37.07 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.339 -0.851 . . . . 0.0 111.94 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? . . . . . 0 N--CA 1.48 1.041 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 -178.998 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.517 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.8 tttt -106.56 130.68 54.29 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 126.276 1.83 . . . . 0.0 110.003 166.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 74.0 t -99.52 139.05 22.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 124.531 1.132 . . . . 0.0 109.15 166.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.4 p -139.68 139.29 38.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.2 1.0 . . . . 0.0 113.14 -178.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.646 0 C-N-CA 127.146 2.178 . . . . 0.0 110.22 175.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 24.2 t . . . . . 0 N--CA 1.47 0.546 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -136.57 131.18 33.46 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.663 1.185 . . . . 0.0 110.267 -178.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 41.0 mt -128.16 106.24 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 124.77 1.228 . . . . 0.0 108.245 -171.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.17 169.75 38.47 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 124.044 0.83 . . . . 0.0 114.682 178.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 58.15 35.37 25.02 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.996 1.719 . . . . 0.0 113.791 173.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 68.8 t -74.08 130.73 35.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 125.697 1.599 . . . . 0.0 111.756 -177.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 71.3 mt -99.23 -25.88 14.36 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.413 1.485 . . . . 0.0 113.491 175.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -157.46 142.57 16.94 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.329 0.968 . . . . 0.0 111.668 -177.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.8 t -134.84 142.62 39.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 125.539 1.536 . . . . 0.0 110.026 174.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.88 142.68 46.65 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.66 1.584 . . . . 0.0 110.619 176.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.648 0 C-N-CA 124.182 0.993 . . . . 0.0 109.286 164.078 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.458 0 CA-C-O 120.635 0.255 . . . . 0.0 111.616 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 70.6 t -99.18 140.89 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 122.592 0.357 . . . . 0.0 110.119 164.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.3 mtt180 -132.51 139.0 47.73 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.486 1.514 . . . . 0.0 109.553 -169.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.2 t -138.32 146.65 26.45 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 C-N-CA 123.946 0.899 . . . . 0.0 111.874 -166.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 53.1 m -132.3 142.43 49.35 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 125.262 1.425 . . . . 0.0 110.867 172.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 72.6 p -123.64 167.09 14.42 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 126.261 1.824 . . . . 0.0 111.711 -177.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.51 -6.25 10.19 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 115.42 1.637 . . . . 0.0 115.42 176.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -78.79 2.56 19.44 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.645 1.178 . . . . 0.0 112.855 170.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 61.41 16.42 7.46 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 126.717 2.007 . . . . 0.0 114.188 -170.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -79.96 158.37 26.62 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 122.45 1.119 . . . . 0.0 112.786 173.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -132.39 138.92 47.88 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 126.103 1.761 . . . . 0.0 110.308 178.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -137.05 152.78 50.47 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.102 1.361 . . . . 0.0 111.164 -173.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -146.42 143.09 28.79 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.246 1.018 . . . . 0.0 112.129 177.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -137.73 87.08 17.53 Favored Pre-proline 0 CA--C 1.547 0.856 0 C-N-CA 125.777 1.631 . . . . 0.0 109.991 -170.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -67.87 145.55 68.85 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 123.273 2.649 . . . . 0.0 112.64 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.12 5.25 76.94 Favored Glycine 0 CA--C 1.533 1.164 0 C-N-CA 124.862 1.22 . . . . 0.0 114.352 -178.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.6 mt -112.86 160.43 18.04 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.333 1.453 . . . . 0.0 113.976 178.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.32 161.16 38.74 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 127.753 2.421 . . . . 0.0 110.283 167.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 55.1 mt -71.83 124.4 28.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 O-C-N 121.062 -1.024 . . . . 0.0 109.285 176.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -90.08 -53.07 2.43 Favored Glycine 0 CA--C 1.53 0.995 0 C-N-CA 124.622 1.106 . . . . 0.0 112.702 177.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.1 ptt85 -153.25 161.47 42.36 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.625 1.17 . . . . 0.0 112.837 176.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.9 t -129.75 127.9 64.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 124.625 1.17 . . . . 0.0 109.791 170.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -122.44 103.85 9.0 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.651 1.18 . . . . 0.0 111.263 -174.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -81.85 -4.96 57.76 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.003 1.321 . . . . 0.0 113.13 -170.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.8 mtm180 -71.44 -23.57 61.87 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.478 1.111 . . . . 0.0 111.888 168.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.3 m -125.89 -12.24 6.5 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.059 1.344 . . . . 0.0 113.846 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.07 29.29 62.88 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 124.374 0.988 . . . . 0.0 113.435 -176.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.7 t -102.95 127.2 56.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 124.597 1.159 . . . . 0.0 111.594 -173.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.2 mt -100.31 113.0 34.63 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 C-N-CA 126.908 2.083 . . . . 0.0 107.879 167.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 27.2 t -101.03 124.41 46.71 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 124.897 1.279 . . . . 0.0 111.099 -177.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.7 mt -99.81 152.39 20.18 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.31 1.044 . . . . 0.0 112.802 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -135.72 159.78 39.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 126.296 1.838 . . . . 0.0 110.328 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.2 mp0 -69.51 130.18 41.76 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.21 -0.931 . . . . 0.0 111.706 178.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.476 0.85 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -176.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 35.8 mtm . . . . . 0 N--CA 1.469 0.49 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.67 170.68 14.73 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-O 122.311 1.053 . . . . 0.0 113.349 177.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -132.12 135.2 46.24 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 125.657 1.583 . . . . 0.0 110.608 165.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 39.8 t -99.77 142.87 14.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 124.657 1.183 . . . . 0.0 110.455 -177.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 9.7 p -133.91 138.61 50.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 C-N-CA 125.421 1.488 . . . . 0.0 111.255 170.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -152.06 168.08 26.4 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.72 1.608 . . . . 0.0 111.904 -177.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.7 m -125.41 130.25 51.49 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.396 1.078 . . . . 0.0 110.047 173.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -73.08 162.14 29.81 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.188 1.395 . . . . 0.0 112.207 176.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.41 -24.33 66.44 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 113.299 0.852 . . . . 0.0 113.299 175.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -76.02 -3.28 34.86 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 124.953 1.301 . . . . 0.0 114.231 171.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.06 -1.55 88.75 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 125.861 1.696 . . . . 0.0 115.435 -176.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.77 134.66 14.85 Favored Glycine 0 CA--C 1.534 1.27 0 CA-C-N 118.707 1.253 . . . . 0.0 113.165 178.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 8.3 mmt85 -75.85 149.1 37.9 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.882 1.273 . . . . 0.0 112.416 174.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 90.8 t -138.33 137.81 43.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.597 1.559 . . . . 0.0 109.456 172.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -132.21 140.35 48.66 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.855 1.662 . . . . 0.0 110.921 177.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 52.8 mt -135.4 122.45 35.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.547 1.139 . . . . 0.0 109.84 -171.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -96.81 165.03 23.05 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 125.048 1.308 . . . . 0.0 114.405 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 50.87 45.86 26.9 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.199 1.799 . . . . 0.0 112.791 178.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 85.4 t -74.88 121.69 26.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 C-N-CA 124.422 1.089 . . . . 0.0 109.972 -178.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 15.8 tp -94.91 -32.15 13.35 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.102 1.761 . . . . 0.0 111.901 -172.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 62.5 tt0 -157.33 148.14 21.41 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.025 1.73 . . . . 0.0 111.287 174.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 5.4 m -131.23 152.23 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 C-N-CA 124.663 1.185 . . . . 0.0 111.395 164.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -139.36 140.1 37.39 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.597 1.559 . . . . 0.0 111.273 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.492 0 C-N-CA 124.15 0.98 . . . . 0.0 108.79 166.328 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.525 0 CA-C-O 120.783 0.325 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 80.1 t -113.33 139.47 38.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 123.6 0.76 . . . . 0.0 110.72 166.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -117.48 143.5 45.99 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.711 1.605 . . . . 0.0 110.006 172.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 4.3 m -136.93 142.43 37.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.105 0.962 . . . . 0.0 111.522 -178.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 87.0 m -125.89 133.25 51.96 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.622 1.569 . . . . 0.0 110.234 -178.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 43.0 p -101.4 168.07 9.76 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 122.267 1.032 . . . . 0.0 113.142 -176.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 63.2 tp -49.76 -33.93 17.76 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.281 1.832 . . . . 0.0 113.838 170.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -80.6 6.63 12.07 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.892 1.677 . . . . 0.0 114.03 -176.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 30.6 t0 61.13 21.17 11.61 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.545 1.938 . . . . 0.0 114.032 -174.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -83.9 157.25 22.02 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 122.056 0.931 . . . . 0.0 111.267 165.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -140.7 139.63 34.77 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.685 1.194 . . . . 0.0 111.131 -176.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -135.04 153.73 51.96 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.282 1.433 . . . . 0.0 110.768 -176.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -138.7 141.57 38.96 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.335 1.054 . . . . 0.0 112.129 -177.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -137.27 93.47 12.96 Favored Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 125.281 1.432 . . . . 0.0 110.459 -170.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -61.37 146.17 97.49 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 123.888 3.059 . . . . 0.0 113.777 176.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.32 8.05 87.64 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 124.804 1.192 . . . . 0.0 114.57 177.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 62.3 mt -108.53 162.07 14.47 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 118.766 1.283 . . . . 0.0 113.254 177.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.44 159.21 42.7 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.545 2.338 . . . . 0.0 110.003 166.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 26.3 mt -71.96 112.76 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 174.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -85.36 -45.81 5.74 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 123.809 0.719 . . . . 0.0 113.325 -178.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -153.61 159.56 42.16 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.198 1.399 . . . . 0.0 112.793 178.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 11.7 t -130.61 114.44 28.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 126.014 1.725 . . . . 0.0 108.499 171.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -101.67 88.56 3.44 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.923 1.289 . . . . 0.0 109.698 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -65.32 -16.75 63.91 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -172.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 55.5 mtt85 -59.97 -24.54 64.5 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.125 1.37 . . . . 0.0 113.463 174.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 20.8 t -134.33 -0.78 2.94 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.416 1.886 . . . . 0.0 112.895 177.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.26 24.75 74.83 Favored Glycine 0 CA--C 1.533 1.198 0 O-C-N 120.566 -1.334 . . . . 0.0 113.922 -175.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 93.8 t -81.56 118.14 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 CA-C-N 118.24 1.02 . . . . 0.0 111.337 -177.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 78.7 mt -97.07 119.09 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 125.19 1.396 . . . . 0.0 107.908 169.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 12.1 t -107.84 125.01 50.94 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.621 0.768 . . . . 0.0 111.082 177.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 23.7 mt -97.87 142.84 29.12 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.691 0.796 . . . . 0.0 111.256 178.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.6 pp -128.92 156.73 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 125.852 1.661 . . . . 0.0 111.159 -177.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 53.9 mp0 -66.25 118.12 9.5 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.376 1.071 . . . . 0.0 111.853 178.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? . . . . . 0 N--CA 1.475 0.79 0 C-N-CA 124.075 0.95 . . . . 0.0 113.186 -176.555 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.808 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -130.33 136.84 49.53 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.226 1.81 . . . . 0.0 111.414 169.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.2 t -100.55 144.09 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 125.161 1.384 . . . . 0.0 110.469 -178.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.6 p -139.45 144.16 29.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 125.176 1.39 . . . . 0.0 111.535 172.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 pp . . . . . 0 N--CA 1.468 0.444 0 C-N-CA 124.579 1.152 . . . . 0.0 112.011 179.166 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 26.2 t . . . . . 0 N--CA 1.479 0.975 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -131.47 140.65 49.62 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.44 1.496 . . . . 0.0 110.712 178.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 31.5 mt -138.41 114.25 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.715 1.206 . . . . 0.0 109.926 -171.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.06 165.13 34.28 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.394 0.997 . . . . 0.0 114.577 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 56.26 38.13 29.5 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.001 1.72 . . . . 0.0 115.396 170.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.5 p -76.36 134.05 29.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.182 0.993 . . . . 0.0 111.666 -178.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.2 mt -91.67 -30.26 16.41 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.143 1.377 . . . . 0.0 113.178 173.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -158.85 145.23 16.95 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.929 0.891 . . . . 0.0 112.254 -175.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.0 m -133.94 148.55 30.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 125.189 1.396 . . . . 0.0 110.674 167.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.48 137.33 35.44 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.814 1.246 . . . . 0.0 111.492 175.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.501 0 C-N-CA 125.916 1.686 . . . . 0.0 109.275 171.445 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.792 0 N-CA-C 111.251 0.093 . . . . 0.0 111.251 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.9 t -116.81 131.55 69.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 122.975 0.51 . . . . 0.0 111.768 166.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 -105.34 149.28 26.2 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 126.172 1.789 . . . . 0.0 111.37 170.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.4 m -137.21 151.3 26.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 125.434 1.494 . . . . 0.0 111.325 178.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 84.9 m -134.56 130.61 36.81 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 125.493 1.517 . . . . 0.0 112.029 -177.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 36.6 p -104.23 167.3 9.84 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 125.026 1.33 . . . . 0.0 112.982 179.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -63.46 -13.16 37.59 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 174.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -79.45 3.2 19.22 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.485 1.114 . . . . 0.0 113.331 174.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 60.95 11.24 3.2 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 127.162 2.185 . . . . 0.0 113.942 -165.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -80.98 143.82 32.28 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.677 1.191 . . . . 0.0 111.592 173.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -125.68 152.27 45.47 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.785 1.234 . . . . 0.0 112.584 174.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -134.64 155.9 49.68 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.425 1.49 . . . . 0.0 110.415 173.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.47 142.05 33.65 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.482 1.113 . . . . 0.0 111.948 -175.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -137.83 94.17 11.71 Favored Pre-proline 0 CA--C 1.544 0.723 0 C-N-CA 124.899 1.28 . . . . 0.0 111.359 -169.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -62.73 145.51 94.96 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 123.537 2.824 . . . . 0.0 113.808 177.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.71 5.04 86.97 Favored Glycine 0 CA--C 1.535 1.33 0 C-N-CA 125.015 1.293 . . . . 0.0 114.594 175.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 66.2 mt -107.7 161.88 14.49 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.232 1.413 . . . . 0.0 113.218 178.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.57 161.25 38.19 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.222 1.809 . . . . 0.0 110.544 164.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.3 mt -74.11 119.09 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 175.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -98.4 -34.58 5.26 Favored Glycine 0 CA--C 1.529 0.957 0 C-N-CA 124.174 0.892 . . . . 0.0 115.106 -177.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 39.4 ttp85 -157.03 143.82 18.42 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 118.656 1.228 . . . . 0.0 111.231 -174.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 42.7 t -132.81 125.7 52.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 124.936 1.294 . . . . 0.0 108.465 176.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -134.49 97.36 3.79 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.545 1.138 . . . . 0.0 110.857 -168.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -75.5 -7.3 53.79 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.351 1.46 . . . . 0.0 113.628 -169.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 66.7 mtt85 -63.61 -28.36 69.87 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.568 1.147 . . . . 0.0 112.708 173.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.2 t -132.4 4.16 3.97 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.84 1.656 . . . . 0.0 112.492 176.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 64.53 33.6 87.66 Favored Glycine 0 CA--C 1.535 1.329 0 O-C-N 120.675 -1.266 . . . . 0.0 113.526 -176.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.7 t -85.89 130.9 35.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 CA-C-N 118.28 1.04 . . . . 0.0 111.026 -178.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 88.0 mt -113.28 118.33 57.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 125.981 1.713 . . . . 0.0 107.657 169.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.0 t -116.49 125.42 51.92 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.498 1.119 . . . . 0.0 111.928 -174.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.4 mp -104.26 150.59 24.28 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.665 1.586 . . . . 0.0 111.205 -178.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.05 165.02 33.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.202 1.401 . . . . 0.0 111.363 178.115 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -68.02 118.1 10.75 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.552 0.741 . . . . 0.0 110.402 173.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? . . . . . 0 CA--C 1.549 0.933 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -175.255 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 3.5 mpp? . . . . . 0 N--CA 1.47 0.564 0 CA-C-O 121.571 0.701 . . . . 0.0 112.079 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.97 170.31 16.42 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 124.612 1.165 . . . . 0.0 113.33 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -121.52 129.4 52.88 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.83 1.252 . . . . 0.0 110.725 161.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 74.4 t -99.73 143.3 13.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.861 1.264 . . . . 0.0 110.086 -178.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.9 p -134.5 143.82 36.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.174 1.39 . . . . 0.0 111.366 171.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 pp -147.86 157.01 43.31 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.278 1.431 . . . . 0.0 112.304 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 16.7 m -112.58 131.51 55.58 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.932 1.293 . . . . 0.0 110.795 175.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 38.3 mtmt -79.84 161.82 25.42 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.457 1.503 . . . . 0.0 112.28 177.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.42 -21.74 64.39 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 123.471 0.709 . . . . 0.0 112.872 166.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -69.38 -11.26 60.67 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.166 1.386 . . . . 0.0 114.153 171.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.0 -9.93 54.91 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 125.22 1.39 . . . . 0.0 114.848 -171.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.04 167.75 54.45 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.514 1.054 . . . . 0.0 112.804 170.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -127.47 152.94 46.92 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.227 1.411 . . . . 0.0 113.225 -178.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 95.1 t -133.2 142.02 43.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 126.165 1.786 . . . . 0.0 109.728 -177.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -130.03 149.62 51.67 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.137 1.375 . . . . 0.0 112.127 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 25.1 mt -137.15 122.66 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 125.52 1.528 . . . . 0.0 109.401 -178.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -94.74 168.14 27.51 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 124.464 1.031 . . . . 0.0 114.232 176.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 56.41 35.87 26.61 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 125.877 1.671 . . . . 0.0 114.119 173.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 72.8 t -75.72 119.01 22.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 125.555 1.542 . . . . 0.0 111.944 -175.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 58.1 mt -79.22 -35.16 42.09 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.667 1.187 . . . . 0.0 112.709 169.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 72.5 tt0 -156.45 147.33 21.95 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 119.182 0.901 . . . . 0.0 113.037 -169.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 46.9 t -134.41 138.62 49.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 125.805 1.642 . . . . 0.0 109.789 174.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 37.8 mtt85 -139.36 128.63 24.03 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.529 1.132 . . . . 0.0 110.865 -171.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.615 0 C-N-CA 124.639 1.175 . . . . 0.0 110.421 171.951 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.536 0 CA-C-O 120.473 0.177 . . . . 0.0 111.271 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 92.8 t -111.44 142.31 24.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 123.817 0.847 . . . . 0.0 111.342 169.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 58.5 mtt85 -127.74 150.47 49.78 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 126.259 1.823 . . . . 0.0 110.387 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 21.9 t -136.77 144.0 33.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 124.67 1.188 . . . . 0.0 110.957 -172.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 85.0 m -131.4 134.47 46.29 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 124.463 1.105 . . . . 0.0 111.484 176.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 30.8 p -107.14 166.98 10.22 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.656 1.582 . . . . 0.0 112.51 178.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.21 -7.84 26.95 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 115.151 1.538 . . . . 0.0 115.151 174.7 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -79.4 0.52 28.92 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.473 1.109 . . . . 0.0 112.848 169.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 26.5 t0 59.34 22.75 11.16 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.144 1.778 . . . . 0.0 113.416 -168.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -84.5 141.82 30.48 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.871 1.268 . . . . 0.0 110.773 172.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -122.38 150.03 42.98 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.083 1.353 . . . . 0.0 112.367 -175.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -136.67 155.49 49.81 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.584 1.553 . . . . 0.0 111.156 -179.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.82 138.36 27.01 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.208 1.403 . . . . 0.0 112.108 177.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -139.63 90.62 11.12 Favored Pre-proline 0 CA--C 1.542 0.636 0 C-N-CA 125.92 1.688 . . . . 0.0 110.925 -172.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -67.46 146.23 73.78 Favored 'Trans proline' 0 CA--C 1.535 0.561 0 C-N-CA 123.061 2.507 . . . . 0.0 112.136 177.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.01 0.72 88.98 Favored Glycine 0 CA--C 1.538 1.493 0 C-N-CA 124.928 1.251 . . . . 0.0 114.853 -178.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 36.4 mt -100.77 162.43 12.91 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.082 1.441 . . . . 0.0 113.743 177.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.52 157.32 45.67 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 127.673 2.389 . . . . 0.0 109.786 165.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 42.6 mt -72.31 118.05 16.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 O-C-N 121.046 -1.034 . . . . 0.0 109.279 176.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -98.01 -35.7 4.98 Favored Glycine 0 CA--C 1.533 1.166 0 CA-C-O 119.382 -0.677 . . . . 0.0 114.512 -173.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 46.7 ttt-85 -158.44 148.95 20.18 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 118.186 0.993 . . . . 0.0 111.964 -173.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 10.9 t -131.57 131.53 62.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.584 1.153 . . . . 0.0 109.466 165.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -123.42 111.06 15.89 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 125.718 1.607 . . . . 0.0 109.675 176.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -81.77 -14.62 56.19 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.541 1.137 . . . . 0.0 113.314 -174.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 38.2 mtm180 -67.36 -38.17 84.36 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.821 1.248 . . . . 0.0 111.621 175.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 12.2 t -106.42 -12.89 15.51 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.022 1.329 . . . . 0.0 114.005 172.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.26 27.32 66.23 Favored Glycine 0 CA--C 1.538 1.493 0 O-C-N 120.71 -1.244 . . . . 0.0 113.98 -172.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 54.8 t -87.22 138.57 18.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 125.446 1.498 . . . . 0.0 111.494 -177.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 87.8 mt -118.07 126.3 74.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 C-N-CA 125.968 1.707 . . . . 0.0 108.06 165.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 16.4 m -111.9 128.02 56.02 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.338 0.655 . . . . 0.0 110.705 176.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 27.1 mt -100.34 146.43 26.96 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 124.713 1.205 . . . . 0.0 111.409 174.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -133.53 156.66 41.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 125.46 1.504 . . . . 0.0 110.719 -177.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 13.0 mp0 -66.65 131.22 45.51 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.321 -0.862 . . . . 0.0 110.948 175.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.78 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 -163.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.912 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -131.58 148.32 52.6 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.432 1.893 . . . . 0.0 111.487 163.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.8 t -99.38 146.01 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.264 1.025 . . . . 0.0 110.424 175.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.2 p -140.95 141.76 31.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 124.846 1.258 . . . . 0.0 112.381 178.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 pp . . . . . 0 N--CA 1.474 0.739 0 C-N-CA 125.795 1.638 . . . . 0.0 112.842 -178.068 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.5 t . . . . . 0 N--CA 1.47 0.555 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.2 mp0 -125.7 142.58 51.44 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 124.913 1.285 . . . . 0.0 110.944 175.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -126.94 96.08 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 125.412 1.485 . . . . 0.0 109.194 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.27 163.01 44.56 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 124.16 0.886 . . . . 0.0 113.843 178.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 53.14 40.99 32.13 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.072 1.349 . . . . 0.0 112.778 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.5 p -71.4 136.65 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 124.048 0.939 . . . . 0.0 111.46 179.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 33.4 mt -101.2 -31.11 11.17 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.797 0.839 . . . . 0.0 112.738 174.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -154.16 143.31 21.26 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.318 1.047 . . . . 0.0 112.405 -177.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.2 t -136.21 142.2 39.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 126.478 1.911 . . . . 0.0 109.897 174.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -135.64 138.69 43.12 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.83 1.652 . . . . 0.0 111.272 174.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.577 0 C-N-CA 124.779 1.232 . . . . 0.0 109.621 161.848 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.516 0 N-CA-C 112.789 0.662 . . . . 0.0 112.789 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 56.7 t -94.4 142.54 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.318 0.647 . . . . 0.0 109.865 155.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 51.5 mtt85 -129.11 143.94 51.03 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.961 1.704 . . . . 0.0 110.965 173.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -152.55 141.76 14.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 124.294 1.038 . . . . 0.0 112.509 -169.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.4 m -127.05 139.14 53.22 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.471 1.508 . . . . 0.0 111.732 -177.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 34.0 p -109.01 167.46 10.08 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.443 1.497 . . . . 0.0 114.331 -171.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.0 tt -55.16 -28.71 54.78 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.77 2.028 . . . . 0.0 113.373 171.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -80.05 6.73 10.7 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.183 1.393 . . . . 0.0 113.731 178.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 61.32 11.25 3.52 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 127.251 2.221 . . . . 0.0 114.661 -170.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -81.86 146.14 30.01 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.496 1.119 . . . . 0.0 111.07 172.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -135.3 137.36 42.4 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.016 1.726 . . . . 0.0 111.152 -174.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -128.33 152.13 48.51 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 125.689 1.596 . . . . 0.0 111.53 -171.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -130.4 139.71 50.61 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 125.133 1.373 . . . . 0.0 111.764 172.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -133.35 91.63 26.6 Favored Pre-proline 0 CA--C 1.543 0.698 0 C-N-CA 125.701 1.601 . . . . 0.0 110.491 -176.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -66.4 148.18 83.78 Favored 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 123.494 2.796 . . . . 0.0 113.069 -176.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.17 -1.14 76.89 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 125.978 1.752 . . . . 0.0 115.397 -178.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 34.9 mt -96.87 162.64 13.32 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 119.379 1.59 . . . . 0.0 113.832 178.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.03 160.47 39.87 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 127.883 2.473 . . . . 0.0 110.448 164.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.5 mt -72.14 118.03 16.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 O-C-N 121.321 -0.862 . . . . 0.0 109.036 175.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.47 -42.4 4.24 Favored Glycine 0 CA--C 1.53 1.016 0 C-N-CA 123.848 0.737 . . . . 0.0 113.848 -175.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -156.52 147.8 22.32 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.631 1.172 . . . . 0.0 112.148 -174.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 39.1 t -131.52 114.74 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 125.956 1.702 . . . . 0.0 109.202 174.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -98.14 107.57 20.07 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 125.074 1.35 . . . . 0.0 110.496 174.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -76.42 -20.66 56.87 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 121.767 -0.583 . . . . 0.0 111.531 173.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 70.1 mtm180 -66.56 -22.79 66.15 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 125.082 1.353 . . . . 0.0 113.896 174.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 96.2 p -133.3 -9.52 2.92 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 -177.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.39 42.04 43.11 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 124.251 0.929 . . . . 0.0 113.411 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.5 t -122.0 126.64 74.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 CA-C-N 118.343 1.071 . . . . 0.0 111.752 -176.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 98.9 mt -104.11 109.91 28.72 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 126.369 1.867 . . . . 0.0 108.186 171.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.6 t -98.15 125.64 43.26 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.511 1.124 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 25.2 mt -96.93 151.09 20.03 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.11 0.964 . . . . 0.0 111.693 176.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -133.66 155.02 39.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 126.188 1.795 . . . . 0.0 110.685 179.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.5 mp0 -67.78 124.25 22.79 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.575 0.75 . . . . 0.0 110.204 173.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.675 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 -168.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 5.0 mpp? . . . . . 0 N--CA 1.471 0.615 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.47 -170.97 0.72 Allowed 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.239 1.416 . . . . 0.0 112.652 168.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -141.06 152.84 45.15 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.428 1.891 . . . . 0.0 111.731 168.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 14.9 t -104.76 146.68 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 124.908 1.283 . . . . 0.0 110.953 176.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 8.6 p -139.01 144.92 28.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 125.569 1.548 . . . . 0.0 112.447 173.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 pp -143.85 158.65 43.54 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.161 1.784 . . . . 0.0 110.369 169.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 26.1 m -122.14 130.66 53.43 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.17 0.988 . . . . 0.0 111.27 177.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -81.57 161.92 23.35 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.314 1.846 . . . . 0.0 112.314 -178.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.99 -24.58 67.12 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.057 0.943 . . . . 0.0 113.405 173.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -74.07 -5.83 43.94 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.522 1.529 . . . . 0.0 114.178 172.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.61 -3.93 86.46 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.708 1.623 . . . . 0.0 115.607 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -84.22 151.08 26.68 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 124.697 1.142 . . . . 0.0 112.222 172.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 86.2 mtm-85 -96.83 160.1 14.55 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 117.895 0.847 . . . . 0.0 112.849 176.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 62.2 t -127.16 135.54 63.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.812 1.645 . . . . 0.0 108.431 165.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -137.76 144.86 41.82 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.608 1.163 . . . . 0.0 112.078 -171.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -132.57 108.52 13.49 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 125.134 1.374 . . . . 0.0 110.239 -175.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.37 167.29 42.92 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 124.24 0.924 . . . . 0.0 113.605 174.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 55.44 35.88 25.97 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.205 1.402 . . . . 0.0 114.174 175.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 11.3 p -75.16 134.28 29.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 124.465 1.106 . . . . 0.0 112.245 -176.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 75.9 mt -97.09 -29.89 13.36 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.257 1.423 . . . . 0.0 112.468 176.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -159.36 139.07 11.62 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.06 0.944 . . . . 0.0 111.986 -168.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 9.0 t -139.73 137.54 39.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 125.606 1.562 . . . . 0.0 109.996 176.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 4.4 ptt85 -153.22 141.89 20.94 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.366 1.066 . . . . 0.0 112.801 -172.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.551 0 C-N-CA 125.128 1.371 . . . . 0.0 110.15 176.436 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.498 0 CA-C-O 120.54 0.21 . . . . 0.0 111.336 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 92.0 t -115.0 139.88 39.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 123.867 0.867 . . . . 0.0 110.662 165.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -118.93 144.15 46.6 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.683 1.993 . . . . 0.0 110.56 173.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -145.81 134.28 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 124.249 1.02 . . . . 0.0 111.244 -176.278 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 5.2 m -127.29 134.79 49.99 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.501 1.121 . . . . 0.0 112.234 -168.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 36.2 p -106.71 167.31 9.95 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 125.552 1.541 . . . . 0.0 113.448 -175.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.65 -7.16 24.49 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 115.373 1.62 . . . . 0.0 115.373 172.305 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -79.24 1.1 25.94 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.172 0.989 . . . . 0.0 112.822 170.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 26.7 t0 59.15 19.11 7.07 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.513 1.925 . . . . 0.0 113.683 -166.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -88.76 135.66 33.4 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.203 1.401 . . . . 0.0 110.356 172.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -124.35 134.17 53.23 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.738 1.215 . . . . 0.0 111.335 -179.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -108.17 151.1 26.37 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 127.16 2.184 . . . . 0.0 110.665 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -139.84 137.75 35.18 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.386 1.074 . . . . 0.0 111.699 177.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -137.25 91.93 14.16 Favored Pre-proline 0 CA--C 1.54 0.579 0 C-N-CA 125.338 1.455 . . . . 0.0 110.693 -172.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -69.39 145.88 60.74 Favored 'Trans proline' 0 CA--C 1.535 0.553 0 C-N-CA 123.263 2.642 . . . . 0.0 112.872 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.11 -1.11 89.15 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 125.183 1.373 . . . . 0.0 115.382 -176.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 24.6 mt -98.36 163.99 12.47 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 118.77 1.285 . . . . 0.0 113.777 178.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.88 159.41 42.23 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 128.266 2.626 . . . . 0.0 109.925 163.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 52.9 mt -71.74 116.3 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 175.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.09 -39.75 3.95 Favored Glycine 0 CA--C 1.53 1.018 0 C-N-CA 124.53 1.062 . . . . 0.0 114.921 -172.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -155.32 150.77 27.19 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.554 1.142 . . . . 0.0 111.765 -174.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 33.5 t -140.14 132.44 33.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 125.523 1.529 . . . . 0.0 109.783 175.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.09 115.09 19.94 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.337 1.055 . . . . 0.0 110.756 173.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -80.12 -23.2 41.36 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.812 1.245 . . . . 0.0 112.583 -177.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -65.71 -41.41 92.32 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.527 1.131 . . . . 0.0 112.254 171.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 18.4 t -88.76 -25.37 22.32 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.176 0.99 . . . . 0.0 113.403 177.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.75 48.99 11.21 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 124.325 0.964 . . . . 0.0 112.463 -174.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 9.6 p -136.13 144.02 34.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.797 0.839 . . . . 0.0 113.112 -173.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 97.7 mt -116.58 132.93 64.8 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 127.546 2.339 . . . . 0.0 107.835 172.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 36.4 t -125.36 126.38 44.95 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.968 1.307 . . . . 0.0 111.404 -176.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 22.1 mt -99.85 149.31 23.52 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.867 1.267 . . . . 0.0 111.86 -177.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -132.54 154.24 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 125.812 1.645 . . . . 0.0 110.842 179.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -69.32 125.28 26.21 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.874 -0.517 . . . . 0.0 110.85 172.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? . . . . . 0 CA--C 1.544 0.731 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -175.97 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.567 0 CA-C-O 121.834 0.826 . . . . 0.0 113.043 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 72.1 tttt -91.57 127.68 37.11 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.186 0.995 . . . . 0.0 108.953 156.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.3 t -104.91 138.11 31.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.807 0.843 . . . . 0.0 109.994 171.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.8 p -134.4 139.94 46.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 125.023 1.329 . . . . 0.0 111.683 178.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 pp . . . . . 0 CA--C 1.538 0.498 0 C-N-CA 125.993 1.717 . . . . 0.0 111.335 179.697 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 91.8 t . . . . . 0 N--CA 1.472 0.671 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -130.97 131.02 44.13 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.391 1.476 . . . . 0.0 110.127 -176.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.9 mt -132.22 109.97 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 125.028 1.331 . . . . 0.0 109.807 -168.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.29 163.22 40.94 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 124.021 0.82 . . . . 0.0 113.662 176.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 55.48 38.73 30.66 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.806 1.642 . . . . 0.0 114.772 172.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 80.2 t -75.3 118.96 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.436 1.094 . . . . 0.0 110.766 174.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 50.7 mt -74.54 -38.3 62.78 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.206 1.402 . . . . 0.0 112.206 175.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -153.59 144.53 22.78 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.797 1.239 . . . . 0.0 111.249 -179.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.7 p -133.25 137.34 53.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 126.186 1.795 . . . . 0.0 110.451 175.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -133.33 138.06 46.2 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.749 1.619 . . . . 0.0 111.859 -175.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.64 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 163.188 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.577 0 CA-C-O 119.958 -0.068 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.2 t -91.99 137.96 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 O-C-N 121.989 -0.444 . . . . 0.0 110.631 163.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.2 mtt180 -131.7 139.86 49.14 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 126.065 1.746 . . . . 0.0 110.3 -171.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.1 m -131.23 150.23 34.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 124.749 1.219 . . . . 0.0 112.587 -174.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 58.4 m -125.17 126.88 45.95 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.785 1.234 . . . . 0.0 110.117 168.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 43.6 p -96.06 160.49 14.42 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.322 1.049 . . . . 0.0 113.273 -178.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.7 tt -52.58 -29.19 24.42 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.205 1.802 . . . . 0.0 113.359 166.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -77.72 5.56 9.12 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.36 1.464 . . . . 0.0 113.909 176.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.315 2.0 p30 59.3 10.89 1.92 Allowed 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 129.095 2.958 . . . . 0.0 115.244 -172.465 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -79.61 145.11 33.24 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.8 1.24 . . . . 0.0 111.18 169.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -127.02 148.69 50.11 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.256 1.422 . . . . 0.0 112.146 178.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -142.01 158.26 43.98 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.533 1.533 . . . . 0.0 111.013 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -143.56 143.84 31.69 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.166 1.386 . . . . 0.0 112.265 177.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -136.83 94.96 12.57 Favored Pre-proline 0 CA--C 1.545 0.758 0 C-N-CA 125.935 1.694 . . . . 0.0 111.084 -168.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_exo -61.93 147.44 95.18 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 123.8 3.0 . . . . 0.0 114.418 -179.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.17 4.14 90.32 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 125.11 1.338 . . . . 0.0 114.776 176.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.2 mt -103.2 162.53 12.9 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.452 1.101 . . . . 0.0 113.347 178.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.89 158.1 44.63 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 127.767 2.427 . . . . 0.0 109.901 165.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 59.5 mt -69.64 118.48 14.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 O-C-N 121.087 -1.008 . . . . 0.0 109.134 178.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.56 -61.17 1.39 Allowed Glycine 0 N--CA 1.469 0.889 0 C-N-CA 124.574 1.083 . . . . 0.0 113.653 -171.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -148.25 157.34 43.43 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 179.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 18.4 t -128.35 127.49 67.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 126.893 2.077 . . . . 0.0 108.995 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -124.46 92.54 3.68 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.88 1.272 . . . . 0.0 110.895 -178.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -70.56 -10.14 58.51 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 121.265 -0.897 . . . . 0.0 113.082 -177.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.7 mtm-85 -60.35 -27.39 67.33 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 125.948 1.699 . . . . 0.0 113.104 167.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.0 m -135.33 -7.06 2.27 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.057 1.343 . . . . 0.0 113.965 -176.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.49 21.72 79.33 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 124.284 0.945 . . . . 0.0 114.041 -176.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 47.7 t -96.73 138.87 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.701 1.2 . . . . 0.0 111.23 -178.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 63.8 mt -119.13 119.68 61.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 C-N-CA 127.506 2.323 . . . . 0.0 108.542 174.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.0 t -102.37 130.34 49.09 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.975 0.91 . . . . 0.0 111.522 177.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.8 mt -98.66 148.86 23.4 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.039 1.336 . . . . 0.0 111.617 176.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -135.32 163.16 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 126.007 1.723 . . . . 0.0 110.623 -178.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.3 mp0 -64.46 137.41 57.86 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.565 -0.71 . . . . 0.0 110.941 176.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? . . . . . 0 N--CA 1.478 0.948 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 -175.82 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 2.8 mpp? . . . . . 0 CA--C 1.54 0.587 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -157.8 165.38 35.46 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 124.977 1.311 . . . . 0.0 111.333 165.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -134.19 133.43 40.93 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.494 1.118 . . . . 0.0 111.801 169.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 49.8 t -98.54 145.72 9.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.972 1.309 . . . . 0.0 110.642 -179.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 8.8 p -138.63 140.97 38.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 125.397 1.479 . . . . 0.0 111.585 174.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -148.33 160.91 42.52 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.384 1.474 . . . . 0.0 112.272 176.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 23.6 m -114.52 131.69 56.56 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.218 1.407 . . . . 0.0 111.026 176.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -80.43 164.04 23.36 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.029 1.732 . . . . 0.0 112.555 178.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.49 -25.66 68.09 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.292 1.037 . . . . 0.0 113.682 175.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 49.5 p30 -79.15 -0.05 30.2 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.764 1.226 . . . . 0.0 114.263 174.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.97 -5.25 83.48 Favored Glycine 0 CA--C 1.539 1.57 0 C-N-CA 125.747 1.641 . . . . 0.0 115.161 -178.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.44 167.83 54.81 Favored Glycine 0 CA--C 1.534 1.25 0 CA-C-N 119.253 1.526 . . . . 0.0 112.72 171.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -127.46 151.95 48.18 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.633 1.173 . . . . 0.0 113.226 -177.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 40.1 t -129.21 147.2 33.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 126.739 2.016 . . . . 0.0 109.098 -175.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -139.58 148.32 42.37 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.56 1.144 . . . . 0.0 112.056 177.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -132.24 123.14 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 125.167 1.387 . . . . 0.0 109.503 176.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.6 174.12 26.65 Favored Glycine 0 CA--C 1.538 1.497 0 C-N-CA 125.415 1.483 . . . . 0.0 113.457 173.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 56.22 32.44 20.29 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.008 1.323 . . . . 0.0 113.318 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 79.2 t -72.85 134.64 29.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 125.149 1.38 . . . . 0.0 110.927 -175.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 20.7 tp -117.82 -22.53 7.92 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.94 1.296 . . . . 0.0 113.181 -178.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -152.15 140.8 20.83 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.265 1.426 . . . . 0.0 111.47 178.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 17.9 t -142.09 143.0 27.15 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 C-N-CA 125.194 1.398 . . . . 0.0 109.858 171.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 1.9 ptt85 -152.62 143.76 23.13 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 176.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.447 0 C-N-CA 125.27 1.428 . . . . 0.0 108.679 168.501 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.746 0 CA-C-O 120.641 0.258 . . . . 0.0 110.796 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 79.7 t -115.38 138.33 46.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 123.694 0.798 . . . . 0.0 111.193 165.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -113.89 144.02 43.72 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 126.487 1.915 . . . . 0.0 109.765 169.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -146.85 138.41 18.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 124.437 1.095 . . . . 0.0 110.92 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 4.4 m -131.07 134.23 46.42 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.597 1.159 . . . . 0.0 111.159 -176.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 24.6 p -81.22 166.67 20.37 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.384 1.074 . . . . 0.0 112.053 174.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 pp -66.87 -10.07 44.4 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 114.536 1.309 . . . . 0.0 114.536 171.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -85.66 5.8 30.37 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.785 1.234 . . . . 0.0 112.96 169.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 62.77 17.17 9.64 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.638 1.975 . . . . 0.0 114.706 -173.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -79.49 125.83 30.07 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.107 -0.996 . . . . 0.0 110.157 172.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -112.94 138.86 49.17 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.763 0.825 . . . . 0.0 112.663 -173.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 56.6 m-70 -126.28 152.03 46.7 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 127.162 2.185 . . . . 0.0 110.42 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.6 145.28 31.71 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.63 0.772 . . . . 0.0 112.555 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -138.85 97.48 8.94 Favored Pre-proline 0 CA--C 1.545 0.759 0 C-N-CA 125.366 1.467 . . . . 0.0 111.004 -171.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -61.47 147.46 95.41 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.623 2.882 . . . . 0.0 114.431 178.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.83 -4.15 58.23 Favored Glycine 0 CA--C 1.535 1.331 0 C-N-CA 125.002 1.287 . . . . 0.0 114.936 177.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 25.2 mt -90.71 163.14 14.61 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.112 1.456 . . . . 0.0 113.71 179.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.07 160.69 39.54 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 127.904 2.482 . . . . 0.0 110.197 163.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 48.6 mt -72.64 119.03 18.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 O-C-N 121.461 -0.775 . . . . 0.0 109.103 176.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -86.23 -44.72 5.84 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 124.587 1.089 . . . . 0.0 113.338 -177.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 28.4 ptt85 -157.84 155.73 30.21 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.632 1.173 . . . . 0.0 112.663 175.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 34.1 t -125.38 125.64 69.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 124.424 1.09 . . . . 0.0 108.638 170.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -127.21 83.46 2.17 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.111 1.364 . . . . 0.0 109.929 -166.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -67.58 -16.42 64.17 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.696 1.598 . . . . 0.0 112.871 -170.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 22.2 mtp-105 -56.2 -26.98 52.95 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 126.103 1.761 . . . . 0.0 113.187 168.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 39.9 m -133.68 3.99 3.58 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.873 1.669 . . . . 0.0 114.171 179.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 67.15 17.55 68.13 Favored Glycine 0 CA--C 1.54 1.652 0 C-N-CA 124.806 1.193 . . . . 0.0 115.106 -176.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 71.1 t -85.93 134.67 26.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-N 118.285 1.042 . . . . 0.0 111.711 -173.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 96.7 mt -116.62 108.66 25.6 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 126.051 1.74 . . . . 0.0 107.779 169.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 26.7 t -97.85 129.0 44.84 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 121.287 -0.883 . . . . 0.0 111.457 -177.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 18.9 mt -108.34 146.23 33.29 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.341 1.057 . . . . 0.0 112.02 177.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -139.17 161.95 28.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 126.056 1.742 . . . . 0.0 110.759 -179.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -65.09 135.52 55.63 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.057 -1.027 . . . . 0.0 111.255 174.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? . . . . . 0 N--CA 1.475 0.787 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 -176.767 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.509 0 CA-C-O 119.471 -0.627 . . . . 0.0 111.575 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -60.39 160.84 22.12 Favored 'Trans proline' 0 CA--C 1.542 0.884 0 C-N-CA 124.537 3.491 . . . . 0.0 114.199 176.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -68.55 -10.89 61.35 Favored Glycine 0 CA--C 1.541 1.672 0 C-N-CA 124.749 1.166 . . . . 0.0 115.769 -178.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 12.4 t -149.89 -176.35 5.4 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.88 1.672 . . . . 0.0 110.616 178.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptm -140.94 138.33 33.75 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.651 1.18 . . . . 0.0 112.685 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 88.6 m -143.17 158.69 43.39 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 127.174 2.19 . . . . 0.0 110.823 178.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -70.0 170.96 10.27 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.837 0.855 . . . . 0.0 111.444 166.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.11 171.17 7.28 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-O 122.087 0.946 . . . . 0.0 113.458 178.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -133.02 144.93 50.39 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.8 1.64 . . . . 0.0 111.567 171.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 86.9 t -102.25 144.88 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 125.084 1.354 . . . . 0.0 110.95 176.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.0 p -136.51 141.07 42.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.803 1.641 . . . . 0.0 111.433 171.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp -151.48 160.3 43.78 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.054 1.342 . . . . 0.0 113.145 -177.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.9 m -114.21 132.4 56.13 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.538 1.535 . . . . 0.0 110.198 171.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.3 mtmt -80.99 162.75 23.71 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.498 1.519 . . . . 0.0 112.352 178.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.55 -20.58 64.81 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 123.666 0.786 . . . . 0.0 112.868 166.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -69.65 -11.27 60.71 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.59 1.556 . . . . 0.0 114.055 171.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.11 -9.5 57.02 Favored Glycine 0 CA--C 1.541 1.664 0 C-N-CA 125.704 1.621 . . . . 0.0 114.932 -172.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.76 168.47 54.27 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 124.963 1.268 . . . . 0.0 112.668 171.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -124.06 152.69 42.38 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.61 1.164 . . . . 0.0 113.378 -178.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 77.8 t -134.38 143.0 39.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 126.069 1.748 . . . . 0.0 110.25 -177.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -130.42 143.61 50.87 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.95 1.3 . . . . 0.0 110.96 175.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -130.45 114.01 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 124.809 1.244 . . . . 0.0 109.587 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.29 163.34 30.14 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 124.075 0.845 . . . . 0.0 113.853 178.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 54.82 41.77 31.66 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 126.068 1.747 . . . . 0.0 113.961 173.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.0 m -73.73 136.39 25.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 O-C-N 121.358 -0.839 . . . . 0.0 111.724 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.8 mt -90.97 -28.53 17.97 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.097 1.359 . . . . 0.0 112.015 173.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 64.3 tt0 -158.41 150.53 21.68 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.847 0.859 . . . . 0.0 112.567 178.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.2 t -134.65 138.1 50.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 126.631 1.972 . . . . 0.0 109.552 171.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -137.37 136.97 38.38 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 125.31 1.444 . . . . 0.0 111.726 -179.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.12 119.69 32.02 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.651 0.78 . . . . 0.0 109.09 165.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -157.32 131.98 8.64 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.885 0.874 . . . . 0.0 112.013 -170.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 64.5 26.43 70.8 Favored Glycine 0 N--CA 1.477 1.418 0 N-CA-C 115.73 1.052 . . . . 0.0 115.73 169.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.17 19.6 71.81 Favored Glycine 0 CA--C 1.536 1.392 0 CA-C-N 118.408 1.104 . . . . 0.0 114.162 -174.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.26 167.41 22.22 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.501 1.92 . . . . 0.0 111.421 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 88.7 t -109.39 128.3 65.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 O-C-N 121.746 -0.596 . . . . 0.0 110.662 163.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -99.57 147.01 25.8 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.862 1.665 . . . . 0.0 110.334 168.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -152.3 139.07 12.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 123.495 0.718 . . . . 0.0 111.694 175.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.0 m -126.07 145.58 50.27 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.053 1.341 . . . . 0.0 110.91 -171.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 43.5 p -122.32 164.98 16.97 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 125.089 1.356 . . . . 0.0 113.232 -172.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.09 -5.18 20.52 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 171.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -79.5 4.51 15.45 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.529 1.132 . . . . 0.0 112.858 170.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 60.83 14.06 4.89 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.803 2.041 . . . . 0.0 113.987 -167.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -89.33 146.14 24.9 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.935 1.294 . . . . 0.0 111.386 175.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.2 tt0 -132.11 132.47 43.31 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.891 1.277 . . . . 0.0 110.937 175.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -111.97 154.36 25.4 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 126.277 1.831 . . . . 0.0 111.269 -179.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -138.57 136.4 35.98 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.752 1.221 . . . . 0.0 111.526 173.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -132.06 92.55 29.11 Favored Pre-proline 0 C--O 1.239 0.534 0 C-N-CA 125.409 1.484 . . . . 0.0 110.281 -173.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -68.94 147.08 67.36 Favored 'Trans proline' 0 CA--C 1.54 0.817 0 C-N-CA 123.258 2.639 . . . . 0.0 112.876 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.37 6.91 85.55 Favored Glycine 0 CA--C 1.53 1.029 0 C-N-CA 125.018 1.294 . . . . 0.0 114.699 -178.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.6 mt -108.69 163.25 13.42 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.219 1.408 . . . . 0.0 113.106 178.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.09 160.57 39.63 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 127.375 2.27 . . . . 0.0 110.278 164.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 55.6 mt -72.58 116.43 14.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 O-C-N 121.583 -0.698 . . . . 0.0 109.265 174.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.49 -38.31 4.26 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 123.951 0.786 . . . . 0.0 114.436 -175.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -153.23 145.67 24.07 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.294 1.037 . . . . 0.0 111.703 -173.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 41.4 t -134.21 112.11 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 C-N-CA 125.514 1.526 . . . . 0.0 108.17 174.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -110.55 91.45 3.66 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.546 1.539 . . . . 0.0 110.896 -175.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -69.83 -12.12 61.38 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.109 1.364 . . . . 0.0 113.463 -173.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 59.6 mtt85 -61.86 -29.79 70.42 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.661 1.184 . . . . 0.0 112.233 171.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.8 m -129.74 -8.4 4.52 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.732 1.613 . . . . 0.0 114.017 -177.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.2 25.9 67.55 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 124.606 1.098 . . . . 0.0 114.234 -177.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.6 t -94.79 127.89 46.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 CA-C-N 118.362 1.081 . . . . 0.0 111.368 -177.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 92.5 mt -108.79 112.01 38.56 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 C-N-CA 126.347 1.859 . . . . 0.0 108.404 173.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.3 m -100.42 123.86 45.19 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.504 0.722 . . . . 0.0 110.879 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.9 mt -91.07 151.83 20.87 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.082 0.953 . . . . 0.0 111.134 173.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -131.92 151.5 35.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 125.583 1.553 . . . . 0.0 110.509 178.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.9 mp0 -69.37 127.87 34.57 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.783 0.833 . . . . 0.0 111.129 176.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.71 -21.6 55.08 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.673 0.789 . . . . 0.0 112.691 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -101.44 150.51 22.96 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.255 1.422 . . . . 0.0 111.653 166.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -122.18 7.96 9.73 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.921 1.288 . . . . 0.0 112.851 177.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 . . . . . 0 C--O 1.251 1.153 0 C-N-CA 125.628 1.571 . . . . 0.0 112.572 -179.72 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.465 0 CA-C-O 118.078 -1.401 . . . . 0.0 110.64 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -60.19 161.14 38.73 Favored 'Cis proline' 0 CA--C 1.542 0.921 0 CA-C-N 119.947 1.874 . . . . 0.0 114.958 1.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . 81.86 131.11 1.33 Allowed Glycine 0 CA--C 1.535 1.292 0 C-N-CA 124.64 1.114 . . . . 0.0 113.279 -169.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 23.2 t -161.49 152.21 17.94 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.876 1.67 . . . . 0.0 110.635 -176.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 88.3 mtp -66.0 154.27 39.9 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.691 0.796 . . . . 0.0 112.92 177.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 26.5 t -144.59 149.46 35.83 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.066 1.346 . . . . 0.0 111.209 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 5.4 mpp? -66.47 153.37 43.06 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.664 1.585 . . . . 0.0 114.09 -177.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.61 -179.82 5.52 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.404 1.481 . . . . 0.0 112.72 172.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -137.29 143.42 42.13 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.516 1.526 . . . . 0.0 111.752 168.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 89.4 t -100.86 145.82 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 125.369 1.468 . . . . 0.0 111.011 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 9.7 p -133.49 143.67 38.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 125.681 1.592 . . . . 0.0 111.8 168.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp -147.91 155.53 41.69 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.684 1.594 . . . . 0.0 112.284 177.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 22.0 m -110.3 132.05 54.52 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.77 1.228 . . . . 0.0 110.854 176.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -81.09 162.02 23.9 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.161 1.784 . . . . 0.0 112.493 178.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.76 -22.98 66.96 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.04 0.936 . . . . 0.0 113.509 173.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -74.94 -7.38 53.4 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.125 1.37 . . . . 0.0 114.067 173.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.13 -6.37 79.65 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 125.262 1.411 . . . . 0.0 114.931 -175.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.52 168.65 54.48 Favored Glycine 0 CA--C 1.533 1.211 0 CA-C-N 118.421 1.11 . . . . 0.0 112.553 169.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -127.82 153.23 46.84 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.675 1.19 . . . . 0.0 112.847 -178.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 75.6 t -134.15 142.05 42.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 126.095 1.758 . . . . 0.0 109.222 -177.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -129.03 149.79 50.7 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.793 1.237 . . . . 0.0 111.861 176.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -128.81 112.33 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 125.208 1.403 . . . . 0.0 108.337 174.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.29 154.9 26.71 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 124.019 0.819 . . . . 0.0 114.234 -176.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 52.15 48.14 23.3 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 126.177 1.791 . . . . 0.0 113.737 171.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 34.8 m -75.6 135.14 27.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 O-C-N 120.833 -1.167 . . . . 0.0 112.314 -176.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 92.1 mt -80.95 -31.16 35.04 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.69 1.196 . . . . 0.0 111.823 172.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -160.21 147.13 16.0 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.989 0.916 . . . . 0.0 112.923 -174.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t -134.29 138.86 49.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 126.042 1.737 . . . . 0.0 109.472 170.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -133.1 140.75 47.81 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 126.71 2.004 . . . . 0.0 110.458 -175.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.68 139.48 48.25 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.604 1.162 . . . . 0.0 111.154 167.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -123.87 20.11 9.26 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.862 1.265 . . . . 0.0 112.593 177.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.53 -55.48 3.73 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 126.363 1.935 . . . . 0.0 113.449 -178.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.8 -13.44 82.3 Favored Glycine 0 CA--C 1.535 1.331 0 C-N-CA 124.953 1.263 . . . . 0.0 114.754 176.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -160.66 165.09 31.17 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.884 1.274 . . . . 0.0 112.669 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -110.92 145.87 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 125.162 1.385 . . . . 0.0 110.825 161.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -130.26 148.86 52.14 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.1 1.76 . . . . 0.0 110.502 173.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -154.07 141.3 12.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 123.509 0.724 . . . . 0.0 112.696 -173.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 85.1 m -122.81 136.86 55.01 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.257 1.423 . . . . 0.0 112.04 -174.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 44.7 p -101.32 166.36 10.79 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.804 1.642 . . . . 0.0 113.525 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -64.52 -12.97 50.02 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 114.252 1.205 . . . . 0.0 114.252 171.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -79.44 2.76 20.68 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.227 1.411 . . . . 0.0 113.353 175.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.8 t0 60.14 23.81 13.1 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 126.149 1.78 . . . . 0.0 113.059 -167.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -99.73 136.12 40.13 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.495 1.518 . . . . 0.0 110.582 174.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -122.31 146.0 47.72 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.295 1.438 . . . . 0.0 111.696 -177.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -128.55 156.01 43.99 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 126.094 1.758 . . . . 0.0 111.109 -174.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.38 140.24 31.97 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.844 1.258 . . . . 0.0 111.814 178.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -139.21 92.19 10.82 Favored Pre-proline 0 CA--C 1.543 0.677 0 C-N-CA 125.744 1.618 . . . . 0.0 110.89 -173.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -62.23 148.6 92.95 Favored 'Trans proline' 0 CA--C 1.537 0.638 0 C-N-CA 123.599 2.866 . . . . 0.0 113.988 176.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.25 1.46 88.17 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 125.524 1.535 . . . . 0.0 114.783 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 54.5 mt -102.52 162.69 12.72 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 118.833 1.317 . . . . 0.0 112.995 177.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.26 158.95 43.21 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 128.153 2.581 . . . . 0.0 109.876 165.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 50.8 mt -70.66 118.91 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 O-C-N 121.233 -0.917 . . . . 0.0 109.503 177.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.31 -48.55 3.73 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 124.525 1.059 . . . . 0.0 113.31 -176.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -152.98 160.14 42.99 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.921 0.888 . . . . 0.0 113.309 179.109 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 25.9 t -131.49 110.19 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 126.408 1.883 . . . . 0.0 107.748 171.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -102.23 100.84 11.07 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.553 1.141 . . . . 0.0 111.098 179.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -75.28 -11.88 60.16 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.176 0.99 . . . . 0.0 113.543 -177.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 37.2 mtt85 -68.21 -27.11 66.1 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.19 0.996 . . . . 0.0 112.544 172.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 93.7 p -126.45 -15.53 5.6 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.622 1.569 . . . . 0.0 114.715 -177.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.13 15.05 79.59 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 124.842 1.21 . . . . 0.0 114.093 -174.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 89.1 t -88.9 123.57 41.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 CA-C-N 119.099 1.449 . . . . 0.0 111.683 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 97.5 mt -96.78 131.71 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 126.345 1.858 . . . . 0.0 107.6 163.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 8.4 t -122.23 133.29 54.71 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.522 0.601 . . . . 0.0 111.195 177.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 25.1 mt -98.85 149.64 22.7 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.74 1.216 . . . . 0.0 111.816 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -132.31 160.45 42.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 126.094 1.758 . . . . 0.0 110.854 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -70.68 133.22 46.45 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 121.714 -0.616 . . . . 0.0 111.635 176.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.8 -24.0 59.76 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 -173.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -110.81 147.44 34.49 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.395 1.478 . . . . 0.0 110.377 165.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -124.14 32.97 5.39 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.572 1.549 . . . . 0.0 111.318 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 . . . . . 0 C--O 1.252 1.226 0 C-N-CA 127.076 2.15 . . . . 0.0 112.832 -171.693 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.574 0 CA-C-O 119.784 -0.454 . . . . 0.0 112.076 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -75.52 -15.53 19.57 Favored 'Trans proline' 0 CA--C 1.545 1.069 0 C-N-CA 124.176 3.251 . . . . 0.0 114.479 -175.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 73.81 -168.11 54.22 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 124.228 0.918 . . . . 0.0 113.488 -175.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 28.8 t -67.28 139.95 57.32 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.396 1.078 . . . . 0.0 112.33 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ptm -70.36 156.03 39.86 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.15 0.98 . . . . 0.0 112.319 173.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 41.5 t -149.8 140.26 22.42 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.15 1.38 . . . . 0.0 109.802 174.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 33.8 mtm 48.68 -120.59 1.35 Allowed 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.813 1.645 . . . . 0.0 111.962 -173.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -143.17 169.49 17.51 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.737 1.215 . . . . 0.0 112.734 173.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -126.5 133.31 51.19 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 126.613 1.965 . . . . 0.0 111.055 171.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 18.5 t -100.0 143.08 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 126.063 1.745 . . . . 0.0 110.762 -174.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -137.29 141.11 40.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 125.361 1.464 . . . . 0.0 111.379 168.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -155.02 169.77 23.32 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.221 1.409 . . . . 0.0 112.724 -176.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.0 m -122.4 127.34 49.58 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.112 1.365 . . . . 0.0 109.77 167.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 35.3 mtmt -72.77 165.49 24.73 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.046 1.338 . . . . 0.0 112.327 179.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.14 -24.07 66.94 Favored 'General case' 0 CA--C 1.551 1.006 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 173.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.7 p30 -80.25 -1.76 42.11 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.926 1.29 . . . . 0.0 113.922 173.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.77 -6.0 84.11 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 125.798 1.666 . . . . 0.0 115.627 178.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.64 137.49 18.2 Favored Glycine 0 CA--C 1.534 1.262 0 CA-C-N 119.294 1.547 . . . . 0.0 112.485 175.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.2 mtm180 -84.13 152.62 24.19 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 117.975 0.888 . . . . 0.0 112.616 175.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.5 t -136.35 140.48 43.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.894 1.678 . . . . 0.0 110.106 178.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -132.46 135.5 46.09 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.951 1.7 . . . . 0.0 110.697 177.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.5 mt -137.33 123.45 27.38 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 C-N-CA 125.054 1.342 . . . . 0.0 110.126 -173.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -95.84 169.1 26.7 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.484 1.04 . . . . 0.0 113.753 176.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 54.61 39.03 30.94 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.646 1.578 . . . . 0.0 113.861 177.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 84.8 t -75.81 114.2 15.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 125.088 1.355 . . . . 0.0 110.529 -177.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 27.4 tp -84.65 -27.84 26.85 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 126.013 1.725 . . . . 0.0 112.729 -176.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -159.67 148.61 17.81 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.79 1.236 . . . . 0.0 112.675 175.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.5 m -132.81 147.09 31.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 125.222 1.409 . . . . 0.0 111.417 170.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -143.3 131.92 22.46 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.137 1.375 . . . . 0.0 111.934 175.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.18 147.81 27.82 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.006 0.922 . . . . 0.0 110.364 159.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -134.86 35.21 3.11 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.055 1.132 . . . . 0.0 114.055 -176.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.39 31.97 58.46 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 124.521 1.057 . . . . 0.0 114.674 170.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 156.75 -9.57 0.26 Allowed Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.985 1.278 . . . . 0.0 114.985 -176.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -150.65 163.82 37.6 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.402 1.881 . . . . 0.0 110.875 176.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 82.3 t -117.93 142.63 31.49 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 C-N-CA 123.982 0.913 . . . . 0.0 111.026 167.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -122.31 140.97 52.03 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 126.388 1.875 . . . . 0.0 110.025 174.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.5 m -137.48 140.2 42.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.16 0.984 . . . . 0.0 111.118 -177.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.3 m -129.62 131.93 46.61 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.501 1.121 . . . . 0.0 110.493 -174.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.4 p -97.1 161.0 14.02 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.464 1.106 . . . . 0.0 111.426 174.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.96 -3.86 14.48 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.928 1.455 . . . . 0.0 114.928 176.07 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -80.83 6.06 14.18 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.071 1.349 . . . . 0.0 113.588 171.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 62.72 10.44 4.2 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 127.0 2.12 . . . . 0.0 114.484 -169.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -80.9 133.3 35.53 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.438 1.095 . . . . 0.0 110.226 170.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -131.89 145.61 51.63 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.561 1.544 . . . . 0.0 110.877 -177.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -133.14 155.32 49.49 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.677 1.591 . . . . 0.0 111.395 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -138.54 137.42 37.03 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.719 1.208 . . . . 0.0 110.935 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -137.54 98.11 10.08 Favored Pre-proline 0 CA--C 1.545 0.787 0 C-N-CA 125.033 1.333 . . . . 0.0 110.926 -172.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -63.17 150.03 89.74 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 123.424 2.749 . . . . 0.0 114.142 175.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.5 8.0 81.34 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 125.121 1.343 . . . . 0.0 114.64 175.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.9 mt -117.89 162.03 18.79 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.181 1.392 . . . . 0.0 112.555 -176.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.1 159.19 42.72 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 127.724 2.409 . . . . 0.0 109.541 167.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 20.1 mt -71.86 123.88 27.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 O-C-N 121.05 -1.031 . . . . 0.0 108.961 177.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -103.64 -39.85 2.47 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 124.83 1.205 . . . . 0.0 114.453 -174.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -151.8 144.7 24.44 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 118.385 1.093 . . . . 0.0 111.792 -174.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.1 t -135.97 123.3 34.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 125.734 1.613 . . . . 0.0 109.345 175.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -131.35 100.64 5.24 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.349 1.06 . . . . 0.0 111.089 -174.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -75.42 -10.97 59.93 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.251 1.42 . . . . 0.0 113.146 -171.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -64.9 -25.83 68.06 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.858 1.263 . . . . 0.0 112.17 173.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.5 m -133.12 1.39 3.52 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.082 1.753 . . . . 0.0 113.465 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.08 23.94 76.0 Favored Glycine 0 CA--C 1.536 1.403 0 C-N-CA 125.077 1.322 . . . . 0.0 114.983 -177.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.7 t -86.36 135.0 26.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 CA-C-N 118.872 1.336 . . . . 0.0 111.823 -174.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 86.3 mt -117.0 130.99 71.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 127.113 2.165 . . . . 0.0 108.278 167.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.9 t -128.86 128.92 44.82 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.316 1.046 . . . . 0.0 111.166 -176.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.8 mp -96.41 151.25 19.73 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.695 1.198 . . . . 0.0 110.767 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -131.5 158.96 43.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 126.349 1.86 . . . . 0.0 110.642 177.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -67.59 133.4 49.35 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.447 -0.783 . . . . 0.0 111.588 177.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -74.42 -14.47 60.85 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 -169.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -136.37 138.86 42.03 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.168 1.787 . . . . 0.0 110.499 167.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -134.19 6.38 3.6 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 125.536 1.534 . . . . 0.0 113.419 -175.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.4 ptt85 . . . . . 0 C--O 1.252 1.201 0 C-N-CA 126.606 1.962 . . . . 0.0 113.711 178.287 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.67 0 CA-C-O 119.722 -0.488 . . . . 0.0 112.092 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -64.38 -26.73 63.17 Favored 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 124.122 3.214 . . . . 0.0 115.243 -176.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . 177.86 -140.87 4.91 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 124.938 1.256 . . . . 0.0 112.256 -178.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 34.6 t -66.44 -31.2 71.8 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.038 0.935 . . . . 0.0 112.717 173.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 5.0 ppp? -68.92 158.75 33.99 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.861 1.264 . . . . 0.0 113.198 176.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 27.9 p -155.23 162.28 40.95 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.206 1.402 . . . . 0.0 112.226 177.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -73.54 150.18 41.69 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.237 1.015 . . . . 0.0 112.118 174.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.18 171.87 13.79 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.784 1.234 . . . . 0.0 112.859 178.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -122.82 141.62 51.65 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.466 1.106 . . . . 0.0 111.372 160.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 24.1 t -98.55 141.99 15.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 125.547 1.539 . . . . 0.0 110.218 177.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.5 p -127.48 139.29 52.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 124.968 1.307 . . . . 0.0 111.285 168.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 pp -149.96 160.36 43.67 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.993 1.317 . . . . 0.0 112.887 -175.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 13.5 m -110.18 130.87 55.47 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.797 1.239 . . . . 0.0 109.724 172.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -77.1 163.48 26.58 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.271 1.428 . . . . 0.0 112.468 176.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.36 -25.12 65.62 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 171.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -76.03 -5.17 45.17 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.553 1.541 . . . . 0.0 114.168 172.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.83 -6.94 72.09 Favored Glycine 0 CA--C 1.539 1.563 0 C-N-CA 125.434 1.492 . . . . 0.0 115.691 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.55 162.78 53.42 Favored Glycine 0 CA--C 1.538 1.5 0 CA-C-N 118.499 1.149 . . . . 0.0 112.165 170.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -118.38 152.81 35.13 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.191 0.996 . . . . 0.0 113.32 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 99.8 t -135.99 141.94 40.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 125.755 1.622 . . . . 0.0 109.62 -174.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -123.29 142.51 50.87 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.807 1.243 . . . . 0.0 111.58 171.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 63.3 mt -134.01 107.63 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 125.325 1.45 . . . . 0.0 108.778 -174.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.0 178.05 53.68 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 123.98 0.8 . . . . 0.0 113.758 177.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 58.96 32.56 22.38 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 169.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 72.3 t -78.9 124.71 37.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 125.809 1.644 . . . . 0.0 112.354 -175.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 78.3 mt -84.4 -37.92 20.89 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.607 1.163 . . . . 0.0 112.274 170.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -156.11 148.99 24.1 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 118.929 0.786 . . . . 0.0 113.039 -171.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 38.9 t -135.33 135.93 51.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 126.508 1.923 . . . . 0.0 109.906 175.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -136.66 125.3 23.77 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.815 1.246 . . . . 0.0 111.165 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.67 126.85 37.94 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.631 1.172 . . . . 0.0 110.26 166.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -158.2 146.95 19.05 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.825 0.85 . . . . 0.0 112.767 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.89 -79.49 0.13 Allowed Glycine 0 CA--C 1.538 1.526 0 C-N-CA 125.539 1.543 . . . . 0.0 113.551 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -158.25 24.67 0.39 Allowed Glycine 0 CA--C 1.533 1.18 0 C-N-CA 127.04 2.257 . . . . 0.0 112.721 176.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.09 165.26 29.61 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.139 1.375 . . . . 0.0 112.524 -170.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 50.2 t -115.75 137.75 48.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 123.407 0.683 . . . . 0.0 110.74 164.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -116.99 150.82 37.95 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 126.034 1.734 . . . . 0.0 111.223 174.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.73 142.57 40.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 125.951 1.7 . . . . 0.0 110.907 -176.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 86.8 m -123.98 133.21 53.74 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.788 1.235 . . . . 0.0 110.302 173.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 40.2 p -104.26 164.6 11.61 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.934 1.293 . . . . 0.0 112.737 178.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 pp -64.27 -15.97 61.17 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 177.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -76.66 1.61 16.5 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.352 1.461 . . . . 0.0 113.642 172.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 24.6 t0 60.66 19.04 9.04 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 127.007 2.123 . . . . 0.0 113.84 -169.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -84.86 143.87 28.77 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 124.602 1.161 . . . . 0.0 110.513 170.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -122.32 148.36 45.13 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.802 1.241 . . . . 0.0 112.042 -178.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -134.08 154.37 51.22 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.146 1.378 . . . . 0.0 111.432 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -140.95 138.22 33.64 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.003 1.321 . . . . 0.0 112.188 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -139.05 92.27 10.96 Favored Pre-proline 0 CA--C 1.544 0.746 0 C-N-CA 125.51 1.524 . . . . 0.0 110.785 -173.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -69.66 149.7 67.84 Favored 'Trans proline' 0 CA--C 1.536 0.613 0 C-N-CA 123.08 2.52 . . . . 0.0 112.646 178.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.53 5.07 85.1 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 125.59 1.567 . . . . 0.0 114.684 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 76.8 mt -109.73 162.46 14.43 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.943 1.297 . . . . 0.0 113.605 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.5 159.08 42.94 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 127.774 2.43 . . . . 0.0 109.38 166.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 37.6 mt -73.91 121.97 26.07 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.848 0 O-C-N 121.246 -0.909 . . . . 0.0 108.952 178.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.91 -46.59 3.1 Favored Glycine 0 CA--C 1.53 1.031 0 C-N-CA 124.723 1.154 . . . . 0.0 114.405 -175.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 7.1 ptt-85 -157.64 164.27 37.39 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.405 1.082 . . . . 0.0 113.057 177.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 5.0 t -135.12 122.65 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 123.959 0.903 . . . . 0.0 110.033 169.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -100.84 88.08 3.48 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.164 1.385 . . . . 0.0 110.132 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -68.2 -10.3 53.39 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 120.911 -1.118 . . . . 0.0 112.887 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 48.3 mtm105 -59.47 -24.96 64.01 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 126.066 1.746 . . . . 0.0 113.637 164.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.1 t -136.63 -16.54 1.53 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.268 1.427 . . . . 0.0 114.072 -173.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.49 22.36 58.61 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 124.953 1.264 . . . . 0.0 113.995 -175.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 65.1 t -93.95 122.16 45.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 124.191 0.996 . . . . 0.0 111.374 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 86.1 mt -96.68 127.43 48.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 C-N-CA 125.74 1.616 . . . . 0.0 108.18 166.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 30.1 t -116.38 125.35 51.94 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.992 0.917 . . . . 0.0 111.486 -177.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.9 mp -101.28 145.97 28.16 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.33 1.452 . . . . 0.0 110.73 177.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -134.79 160.99 41.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 126.643 1.977 . . . . 0.0 110.493 -178.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 28.5 mp0 -65.6 131.44 46.38 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.247 -0.908 . . . . 0.0 111.995 178.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -70.47 -13.61 62.19 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -176.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -133.22 135.89 45.28 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.271 1.829 . . . . 0.0 109.342 162.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -85.59 4.75 34.77 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.479 1.289 . . . . 0.0 114.479 -172.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 17.9 ptm180 . . . . . 0 C--O 1.255 1.372 0 C-N-CA 126.294 1.838 . . . . 0.0 112.915 -179.077 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.515 0 N-CA-C 111.423 -0.671 . . . . 0.0 111.423 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -67.96 154.0 73.87 Favored 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 123.788 2.992 . . . . 0.0 112.411 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -86.06 -19.73 56.86 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 124.396 0.998 . . . . 0.0 114.374 177.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 33.8 t 63.36 154.78 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 127.421 2.288 . . . . 0.0 115.124 -174.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ptm -77.84 -10.5 59.59 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 167.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 64.6 m 61.69 163.42 0.08 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 127.986 2.515 . . . . 0.0 114.752 -174.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 5.6 mpp? -67.21 150.2 49.41 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.144 0.978 . . . . 0.0 113.317 -178.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.11 -172.32 2.71 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 125.095 1.358 . . . . 0.0 112.368 171.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -128.96 154.74 46.28 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.568 1.147 . . . . 0.0 111.548 161.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.2 t -100.74 146.45 9.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.316 1.046 . . . . 0.0 110.384 171.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.5 p -134.19 141.73 42.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 125.139 1.376 . . . . 0.0 111.456 170.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 pp -145.08 156.22 43.78 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.954 1.302 . . . . 0.0 112.177 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.7 m -111.21 130.66 55.58 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.888 1.275 . . . . 0.0 110.443 177.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -80.15 162.49 24.7 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 126.038 1.735 . . . . 0.0 112.049 178.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.23 -23.24 66.55 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.123 0.969 . . . . 0.0 113.167 173.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -75.37 -6.01 47.79 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.321 1.448 . . . . 0.0 113.86 172.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.84 -7.73 69.0 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 125.757 1.646 . . . . 0.0 114.967 -176.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.72 168.23 54.68 Favored Glycine 0 CA--C 1.538 1.471 0 CA-C-N 118.312 1.056 . . . . 0.0 112.815 170.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -127.34 152.64 47.2 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.178 0.991 . . . . 0.0 113.379 -176.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.0 t -131.93 141.86 44.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 126.488 1.915 . . . . 0.0 109.754 -178.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -128.09 147.67 50.54 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.25 1.42 . . . . 0.0 111.636 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.0 mt -131.56 101.95 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 125.261 1.424 . . . . 0.0 108.855 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.26 157.14 46.11 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 124.36 0.981 . . . . 0.0 113.711 -178.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 52.92 46.32 27.01 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 126.327 1.851 . . . . 0.0 114.128 173.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.0 p -73.81 135.34 27.74 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 124.995 1.318 . . . . 0.0 112.385 -177.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.4 mt -90.76 -39.62 12.29 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.747 1.219 . . . . 0.0 112.539 175.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 73.8 tt0 -154.23 146.38 23.73 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.759 -0.588 . . . . 0.0 112.061 -173.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.4 t -135.92 138.33 47.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 125.656 1.583 . . . . 0.0 110.297 175.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -134.54 137.05 43.49 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.297 1.439 . . . . 0.0 111.434 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -123.75 120.93 34.12 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.656 1.582 . . . . 0.0 110.668 176.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -156.95 141.08 16.39 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.55 1.14 . . . . 0.0 111.127 -176.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.5 21.49 57.59 Favored Glycine 0 CA--C 1.543 1.811 0 N-CA-C 115.189 0.836 . . . . 0.0 115.189 174.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.95 24.17 67.38 Favored Glycine 0 CA--C 1.538 1.48 0 C-N-CA 124.566 1.079 . . . . 0.0 114.708 -173.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.65 142.05 41.17 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 118.769 1.284 . . . . 0.0 112.145 175.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.8 t -106.85 137.6 36.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 123.469 0.708 . . . . 0.0 111.77 179.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -116.64 149.85 39.07 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.644 1.977 . . . . 0.0 110.211 175.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.7 t -139.48 142.05 33.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 125.222 1.409 . . . . 0.0 110.493 -174.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.4 m -129.87 135.59 48.55 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.098 1.359 . . . . 0.0 111.045 177.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.8 p -124.52 166.65 15.68 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.734 1.214 . . . . 0.0 113.269 -174.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -62.92 -14.08 42.39 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 115.606 1.706 . . . . 0.0 115.606 -177.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -79.61 5.67 12.54 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.964 1.306 . . . . 0.0 113.492 174.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.6 t0 60.02 26.28 15.59 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.982 2.113 . . . . 0.0 112.908 -168.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -93.87 153.32 18.32 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.185 1.394 . . . . 0.0 112.179 173.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -131.87 144.98 51.27 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 125.214 1.406 . . . . 0.0 111.581 177.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -137.1 152.15 49.69 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.923 1.689 . . . . 0.0 111.084 -173.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -145.85 141.28 27.73 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.855 0.862 . . . . 0.0 112.603 -178.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -141.11 94.12 7.91 Favored Pre-proline 0 CA--C 1.545 0.772 0 C-N-CA 126.109 1.764 . . . . 0.0 111.11 -170.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -63.07 151.71 83.34 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 123.48 2.787 . . . . 0.0 113.456 172.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.75 9.08 83.52 Favored Glycine 0 CA--C 1.53 1.029 0 C-N-CA 125.352 1.453 . . . . 0.0 115.051 177.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 72.5 mt -118.76 161.87 19.39 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.308 1.443 . . . . 0.0 113.561 -177.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -144.54 159.22 43.13 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 127.123 2.169 . . . . 0.0 109.753 166.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.0 mt -71.43 117.01 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 O-C-N 121.035 -1.04 . . . . 0.0 108.756 177.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.94 -35.88 8.78 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 125.308 1.432 . . . . 0.0 113.94 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -159.57 160.53 34.54 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 118.086 0.943 . . . . 0.0 112.191 170.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.1 t -128.72 124.08 60.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 124.067 0.947 . . . . 0.0 108.988 163.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -116.84 107.73 14.98 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.482 1.513 . . . . 0.0 110.333 -176.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -82.34 -12.28 58.07 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.778 1.231 . . . . 0.0 112.892 -174.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.4 mtm180 -72.29 -40.92 67.19 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.579 1.152 . . . . 0.0 110.836 175.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 80.4 p -96.23 -22.98 16.92 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.839 1.656 . . . . 0.0 113.811 176.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.9 41.75 14.03 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 124.594 1.092 . . . . 0.0 113.012 -176.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 76.7 t -125.76 130.16 72.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 124.629 1.172 . . . . 0.0 112.263 -173.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.8 mt -97.21 128.14 48.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 126.646 1.978 . . . . 0.0 107.884 166.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.0 t -119.46 128.54 54.1 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.831 0.852 . . . . 0.0 111.111 -177.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.4 mt -100.65 147.5 25.91 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.375 1.07 . . . . 0.0 111.96 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -133.28 161.02 42.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 126.639 1.976 . . . . 0.0 110.681 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -67.75 128.02 34.95 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 121.452 -0.78 . . . . 0.0 111.319 177.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -66.18 -27.76 68.25 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 -171.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -141.24 142.85 33.91 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.949 1.7 . . . . 0.0 110.452 169.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -146.29 11.49 1.17 Allowed 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 124.563 1.145 . . . . 0.0 113.826 -173.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 . . . . . 0 C--O 1.253 1.262 0 C-N-CA 126.463 1.905 . . . . 0.0 112.661 -175.766 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.374 0 CA-C-O 120.017 -0.324 . . . . 0.0 112.36 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -60.52 148.96 89.22 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 123.929 3.086 . . . . 0.0 114.132 -179.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -77.27 -22.58 70.42 Favored Glycine 0 CA--C 1.537 1.465 0 C-N-CA 123.579 0.609 . . . . 0.0 113.54 171.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 56.3 p -76.96 145.66 38.0 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.426 1.49 . . . . 0.0 113.124 176.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 59.0 mtp 62.86 167.03 0.13 Allowed 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 127.441 2.296 . . . . 0.0 116.05 174.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 26.9 p -156.39 172.78 17.91 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.834 1.654 . . . . 0.0 111.695 -174.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -61.8 165.35 5.33 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.961 1.305 . . . . 0.0 112.87 175.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.39 161.21 28.05 Favored 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 -159.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.79 127.82 53.89 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 125.125 1.37 . . . . 0.0 110.272 165.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 79.2 t -101.16 139.57 22.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 125.562 1.545 . . . . 0.0 109.614 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 14.6 p -130.03 145.11 36.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 125.449 1.499 . . . . 0.0 112.763 174.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp -147.8 158.24 43.93 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.603 1.561 . . . . 0.0 112.267 178.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 32.7 m -114.91 131.3 56.92 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.842 1.257 . . . . 0.0 110.859 175.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -82.67 161.66 22.09 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.415 1.886 . . . . 0.0 112.813 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.27 -23.05 66.94 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 174.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 44.6 p30 -79.43 -1.12 35.83 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.398 1.079 . . . . 0.0 113.906 174.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.45 -6.07 84.0 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 125.793 1.663 . . . . 0.0 115.568 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.7 170.81 54.95 Favored Glycine 0 CA--C 1.537 1.42 0 CA-C-N 118.941 1.371 . . . . 0.0 113.18 171.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 70.4 mtm180 -125.84 155.2 41.53 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.677 1.191 . . . . 0.0 112.645 177.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 68.0 t -134.08 141.4 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 126.001 1.72 . . . . 0.0 109.593 -178.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -131.98 146.02 51.83 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.09 1.356 . . . . 0.0 111.799 178.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -130.95 121.14 49.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 125.46 1.504 . . . . 0.0 108.814 174.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.68 166.72 22.85 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 125.144 1.354 . . . . 0.0 114.352 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 52.36 39.39 27.32 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 125.867 1.667 . . . . 0.0 113.336 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -69.7 117.43 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 C-N-CA 125.296 1.438 . . . . 0.0 110.701 -178.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 77.3 mt -78.19 -34.9 49.24 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.388 1.075 . . . . 0.0 111.743 171.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -155.14 143.02 19.97 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.155 0.982 . . . . 0.0 112.189 178.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 7.3 p -125.27 139.77 50.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 125.931 1.692 . . . . 0.0 109.307 167.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 78.4 mtm-85 -136.3 141.85 43.86 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.787 1.635 . . . . 0.0 110.383 -169.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -131.5 123.03 27.17 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 125.282 1.433 . . . . 0.0 110.748 -177.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -162.48 143.63 10.26 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.872 0.869 . . . . 0.0 111.864 -173.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.11 21.76 59.74 Favored Glycine 0 CA--C 1.544 1.901 0 C-N-CA 124.089 0.852 . . . . 0.0 115.058 175.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.25 25.75 60.96 Favored Glycine 0 CA--C 1.537 1.433 0 CA-C-N 118.365 1.082 . . . . 0.0 114.547 -174.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.47 157.54 44.37 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.167 1.387 . . . . 0.0 112.051 177.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 68.5 t -115.94 146.79 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 124.424 1.09 . . . . 0.0 112.206 177.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -130.13 152.99 48.97 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.155 1.782 . . . . 0.0 111.391 171.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 16.7 m -130.32 152.89 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 125.74 1.616 . . . . 0.0 111.559 176.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 85.4 m -132.06 126.31 33.51 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.255 1.422 . . . . 0.0 110.121 173.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 17.6 p -94.54 170.25 9.61 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.213 1.005 . . . . 0.0 113.538 -176.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 59.2 tp -50.09 -30.17 10.47 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 127.191 2.197 . . . . 0.0 114.082 169.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -92.41 10.82 28.38 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.444 1.498 . . . . 0.0 113.281 -178.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 59.3 18.53 6.76 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.562 1.945 . . . . 0.0 114.393 -171.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -76.73 143.57 39.86 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 120.9 -1.125 . . . . 0.0 110.528 172.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -121.73 145.34 48.13 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 124.631 1.173 . . . . 0.0 112.604 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -138.28 154.37 49.04 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.608 1.563 . . . . 0.0 110.639 171.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.38 144.15 34.36 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.822 1.249 . . . . 0.0 112.732 -177.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -141.42 96.55 6.98 Favored Pre-proline 0 CA--C 1.544 0.716 0 C-N-CA 125.597 1.559 . . . . 0.0 111.329 -168.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -64.52 148.78 90.64 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 123.434 2.756 . . . . 0.0 113.317 176.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.28 5.4 89.65 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 125.198 1.38 . . . . 0.0 114.855 177.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 42.5 mt -109.48 163.54 13.33 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.933 1.293 . . . . 0.0 113.581 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.58 157.51 44.37 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 127.715 2.406 . . . . 0.0 109.716 166.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 38.3 mt -69.28 123.19 22.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 O-C-N 121.184 -0.948 . . . . 0.0 109.059 176.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -105.9 -44.11 1.45 Allowed Glycine 0 C--N 1.34 0.757 0 N-CA-C 115.602 1.001 . . . . 0.0 115.602 -168.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -150.51 143.83 24.96 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.511 1.156 . . . . 0.0 111.677 -177.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 47.6 t -137.67 130.27 41.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 125.416 1.486 . . . . 0.0 109.067 -176.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -131.0 110.57 11.33 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 122.151 0.977 . . . . 0.0 111.626 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -81.25 -13.8 58.13 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.327 1.451 . . . . 0.0 112.565 -172.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 35.4 mtm180 -72.74 -23.8 60.88 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.991 1.316 . . . . 0.0 112.403 174.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 41.8 m -123.5 -14.11 7.42 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.536 1.534 . . . . 0.0 114.221 -177.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.58 29.38 63.75 Favored Glycine 0 CA--C 1.539 1.545 0 CA-C-N 119.372 0.987 . . . . 0.0 113.667 -176.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 86.0 t -104.99 138.87 27.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 125.403 1.481 . . . . 0.0 111.123 -176.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 71.8 mt -123.63 138.09 54.62 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 C-N-CA 126.397 1.879 . . . . 0.0 108.968 172.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 32.4 t -127.12 132.91 50.49 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.72 1.208 . . . . 0.0 111.606 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 27.0 mt -93.62 153.1 18.58 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.959 1.303 . . . . 0.0 112.144 176.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -131.02 158.97 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 125.981 1.712 . . . . 0.0 110.672 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -68.67 131.79 45.78 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 121.764 -0.585 . . . . 0.0 111.117 173.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -68.24 -14.57 63.09 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 -172.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 41.1 mm-40 -129.11 129.23 44.93 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.711 1.604 . . . . 0.0 108.807 156.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -143.01 18.97 1.95 Allowed 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 124.457 1.103 . . . . 0.0 113.353 -171.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 46.9 mtm105 . . . . . 0 C--O 1.253 1.272 0 C-N-CA 126.189 1.796 . . . . 0.0 113.233 -179.461 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.534 0 CA-C-O 119.694 -0.503 . . . . 0.0 112.339 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -60.54 145.44 98.78 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 124.035 3.157 . . . . 0.0 113.428 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -67.63 -20.71 72.27 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 124.075 0.845 . . . . 0.0 114.683 -177.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 29.9 t -75.09 -27.92 60.1 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.752 1.221 . . . . 0.0 113.567 174.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.7 mtp -84.08 154.62 23.1 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.16 1.384 . . . . 0.0 112.776 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 26.7 p -155.25 153.92 31.38 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.861 1.264 . . . . 0.0 112.264 174.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -120.18 164.18 16.61 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 126.558 1.943 . . . . 0.0 110.655 172.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.27 172.9 11.62 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.31 0.644 . . . . 0.0 112.183 177.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 56.2 pttt -127.18 150.05 49.69 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.994 0.918 . . . . 0.0 111.24 162.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.7 t -104.02 139.0 26.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 125.462 1.505 . . . . 0.0 110.335 173.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.3 p -131.71 146.49 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 125.471 1.509 . . . . 0.0 111.383 172.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 pp -144.4 155.57 43.82 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.057 1.343 . . . . 0.0 112.292 177.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.3 m -117.29 127.95 54.58 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.915 1.286 . . . . 0.0 110.131 172.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -79.95 165.17 22.89 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.973 1.709 . . . . 0.0 112.278 178.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.29 -26.08 68.21 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 178.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 55.8 p30 -81.64 -0.67 43.57 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 125.168 1.387 . . . . 0.0 114.315 174.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.8 -1.63 87.98 Favored Glycine 0 CA--C 1.539 1.542 0 C-N-CA 125.537 1.541 . . . . 0.0 115.696 -177.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.75 160.98 54.19 Favored Glycine 0 CA--C 1.532 1.149 0 CA-C-N 119.451 1.626 . . . . 0.0 112.596 171.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -129.92 151.07 50.89 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.808 1.243 . . . . 0.0 113.044 -177.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 41.4 t -137.15 141.01 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 125.911 1.684 . . . . 0.0 109.664 -177.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -130.13 146.66 51.79 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.915 1.286 . . . . 0.0 112.144 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -131.21 109.5 16.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 126.283 1.833 . . . . 0.0 108.158 178.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.81 158.56 28.42 Favored Glycine 0 CA--C 1.533 1.205 0 C-N-CA 124.045 0.831 . . . . 0.0 114.595 -175.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 52.68 51.41 16.08 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 126.292 1.837 . . . . 0.0 113.641 172.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.5 t -73.92 126.67 35.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 127.942 2.497 . . . . 0.0 111.926 -178.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.8 mt -88.42 -28.85 20.63 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.342 1.057 . . . . 0.0 113.213 167.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -155.33 140.94 17.93 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.069 0.948 . . . . 0.0 111.986 -173.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.8 p -141.5 148.23 21.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 125.036 1.335 . . . . 0.0 110.302 169.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.6 ptt85 -155.37 141.12 18.05 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.94 0.896 . . . . 0.0 113.313 177.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.11 117.37 29.78 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.875 1.67 . . . . 0.0 108.899 166.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -154.9 115.02 3.81 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.096 0.959 . . . . 0.0 111.571 -161.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.74 27.98 73.56 Favored Glycine 0 CA--C 1.54 1.655 0 O-C-N 121.018 -1.051 . . . . 0.0 114.897 174.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.92 17.29 67.93 Favored Glycine 0 CA--C 1.535 1.3 0 CA-C-N 118.515 1.158 . . . . 0.0 114.97 -177.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.68 153.06 44.44 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.753 1.621 . . . . 0.0 111.459 176.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.2 t -92.82 138.92 18.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-N 118.149 0.431 . . . . 0.0 110.581 164.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 72.0 mtt85 -125.25 144.77 50.3 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.456 1.503 . . . . 0.0 110.237 171.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.3 p -145.03 143.96 22.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.432 1.093 . . . . 0.0 111.588 -172.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.2 m -128.81 131.53 47.76 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.694 1.597 . . . . 0.0 110.91 -175.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 41.3 p -96.38 169.06 10.18 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 125.038 1.335 . . . . 0.0 112.729 178.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -61.47 -14.92 32.67 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 114.886 1.439 . . . . 0.0 114.886 173.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -79.54 -2.98 44.77 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.671 1.188 . . . . 0.0 113.297 174.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 61.23 13.89 5.18 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.036 1.734 . . . . 0.0 113.951 -162.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -78.55 146.08 34.46 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.448 1.099 . . . . 0.0 110.66 169.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -131.16 152.85 50.03 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 125.189 1.396 . . . . 0.0 113.281 -172.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 -138.59 155.05 48.68 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.477 1.511 . . . . 0.0 111.519 178.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -139.28 141.89 37.75 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 125.137 1.375 . . . . 0.0 111.899 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -140.14 91.68 9.94 Favored Pre-proline 0 CA--C 1.546 0.813 0 C-N-CA 125.806 1.642 . . . . 0.0 110.961 -172.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -67.69 148.97 78.74 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 123.522 2.815 . . . . 0.0 112.918 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.13 -0.1 89.94 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 125.113 1.34 . . . . 0.0 114.981 -177.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 49.0 mt -103.92 163.39 12.39 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.813 1.307 . . . . 0.0 113.389 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.18 162.55 35.0 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 127.713 2.405 . . . . 0.0 110.099 163.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 40.4 mt -71.0 121.3 20.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 O-C-N 121.148 -0.97 . . . . 0.0 109.079 175.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.58 -46.82 2.44 Favored Glycine 0 N--CA 1.467 0.732 0 C-N-CA 124.93 1.252 . . . . 0.0 114.033 -172.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -149.1 155.9 41.41 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.971 1.308 . . . . 0.0 111.424 -178.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.5 t -139.53 126.98 25.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 124.061 0.944 . . . . 0.0 110.193 166.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -105.77 92.88 4.36 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.899 1.68 . . . . 0.0 110.218 175.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -68.21 -18.37 64.56 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.225 -0.922 . . . . 0.0 112.761 -178.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 43.3 mtt85 -60.26 -27.27 67.11 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.102 1.361 . . . . 0.0 112.769 170.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 31.1 m -128.5 -9.42 5.13 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.267 1.427 . . . . 0.0 114.62 -173.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.83 21.13 79.03 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.477 1.037 . . . . 0.0 114.61 -177.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 53.8 t -100.46 119.93 49.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 CA-C-N 119.118 1.459 . . . . 0.0 111.266 -176.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 12.7 mt -97.8 135.42 32.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 126.651 1.98 . . . . 0.0 108.146 168.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.1 t -126.61 130.46 50.53 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.691 1.196 . . . . 0.0 111.512 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.8 mt -96.24 154.27 17.35 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.675 1.19 . . . . 0.0 112.564 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -133.25 156.86 42.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 126.272 1.829 . . . . 0.0 110.654 176.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -75.08 133.32 41.59 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.083 -1.01 . . . . 0.0 112.016 175.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.64 -9.72 59.25 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.447 1.099 . . . . 0.0 113.924 -175.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 89.3 mm-40 -116.44 136.05 53.32 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 126.213 1.805 . . . . 0.0 109.905 171.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -127.9 31.75 5.06 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 124.981 1.313 . . . . 0.0 112.163 -172.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 . . . . . 0 C--O 1.254 1.304 0 C-N-CA 126.497 1.919 . . . . 0.0 113.189 -172.063 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.618 0 CA-C-O 119.417 -0.657 . . . . 0.0 112.02 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -73.13 -27.49 7.94 Favored 'Cis proline' 0 C--N 1.353 0.787 0 CA-C-N 118.616 1.208 . . . . 0.0 113.708 -1.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -79.77 170.76 54.26 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 124.703 1.144 . . . . 0.0 113.536 174.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 97.2 p -136.57 0.22 2.46 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.094 1.357 . . . . 0.0 114.122 -177.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 72.5 mtm -73.73 161.36 30.32 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.533 1.133 . . . . 0.0 112.282 174.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 48.9 t -136.1 137.99 41.6 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.034 1.334 . . . . 0.0 109.58 169.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -118.82 154.62 32.58 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.565 1.146 . . . . 0.0 113.486 -164.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.43 176.58 9.58 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.981 1.312 . . . . 0.0 112.362 171.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -125.17 146.05 49.68 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 126.046 1.738 . . . . 0.0 111.242 163.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 54.5 t -105.13 143.67 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 125.117 1.367 . . . . 0.0 110.459 177.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 10.4 p -136.88 141.88 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.598 1.559 . . . . 0.0 111.694 171.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -153.18 160.02 42.77 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.505 1.522 . . . . 0.0 112.879 -177.488 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 15.2 m -114.15 128.42 56.37 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.272 1.429 . . . . 0.0 109.71 170.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -77.21 163.53 26.45 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.005 1.722 . . . . 0.0 112.209 178.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.0 -26.41 67.58 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.089 0.956 . . . . 0.0 113.533 175.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -78.11 -1.91 34.81 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 125.021 1.328 . . . . 0.0 113.848 173.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.69 -4.86 80.91 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 125.939 1.733 . . . . 0.0 115.775 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.51 154.17 43.64 Favored Glycine 0 CA--C 1.534 1.222 0 CA-C-N 118.869 1.335 . . . . 0.0 112.535 172.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -110.56 150.23 29.24 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.128 0.971 . . . . 0.0 113.195 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 97.6 t -131.44 140.44 48.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 126.152 1.781 . . . . 0.0 109.792 -178.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -130.62 143.12 50.54 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.289 1.436 . . . . 0.0 111.383 175.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 37.4 mt -131.76 124.23 53.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 125.019 1.328 . . . . 0.0 108.974 -178.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -95.41 166.39 25.46 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 124.376 0.989 . . . . 0.0 114.302 176.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 53.16 44.75 29.87 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 126.012 1.725 . . . . 0.0 113.627 176.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 81.7 t -76.03 119.83 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 124.91 1.284 . . . . 0.0 111.633 -176.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 98.6 mt -80.93 -31.57 34.98 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.958 1.303 . . . . 0.0 113.054 173.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -159.55 146.21 16.49 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 118.706 0.684 . . . . 0.0 111.927 -170.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 19.7 m -134.63 153.54 35.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 124.622 1.169 . . . . 0.0 111.842 166.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -144.63 131.22 19.94 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.726 1.21 . . . . 0.0 111.531 174.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.36 98.25 8.75 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 156.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -151.29 136.14 17.28 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.463 1.105 . . . . 0.0 112.059 -166.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.52 27.11 72.22 Favored Glycine 0 CA--C 1.536 1.392 0 N-CA-C 115.176 0.831 . . . . 0.0 115.176 176.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.74 21.47 76.71 Favored Glycine 0 CA--C 1.536 1.377 0 CA-C-N 118.354 1.077 . . . . 0.0 114.725 -174.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.55 167.51 22.85 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.333 1.853 . . . . 0.0 111.536 -176.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 73.2 t -99.42 123.81 52.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 O-C-N 121.81 -0.556 . . . . 0.0 111.639 158.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -89.15 148.29 23.74 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.51 1.524 . . . . 0.0 111.329 165.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 10.5 t -135.74 143.61 35.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 125.871 1.669 . . . . 0.0 109.668 171.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 23.5 m -125.87 132.1 52.25 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.147 1.379 . . . . 0.0 110.087 174.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 30.4 p -101.66 165.99 10.93 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.328 1.051 . . . . 0.0 113.446 -178.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 69.1 tp -49.51 -28.81 5.85 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 127.165 2.186 . . . . 0.0 113.945 174.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -86.63 9.1 19.68 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 126.04 1.736 . . . . 0.0 113.752 -178.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 62.02 13.48 5.7 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 127.003 2.121 . . . . 0.0 114.878 -173.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -79.03 161.29 26.7 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.203 1.001 . . . . 0.0 111.808 168.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -133.83 153.93 51.38 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.761 1.224 . . . . 0.0 113.166 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -130.2 154.17 47.82 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 126.115 1.766 . . . . 0.0 110.219 172.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.06 136.25 31.84 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.277 1.031 . . . . 0.0 111.307 175.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -132.2 90.71 33.89 Favored Pre-proline 0 CA--C 1.54 0.593 0 C-N-CA 125.351 1.46 . . . . 0.0 110.726 -173.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -63.3 144.08 90.6 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 122.882 2.388 . . . . 0.0 113.166 -178.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.04 -1.17 88.98 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 125.65 1.595 . . . . 0.0 115.151 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 50.7 mt -97.68 164.25 12.49 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 119.307 1.554 . . . . 0.0 113.844 176.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.89 164.87 29.08 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 127.649 2.38 . . . . 0.0 110.449 160.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 22.6 mt -72.93 120.43 21.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 O-C-N 121.387 -0.821 . . . . 0.0 109.434 177.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -95.2 -38.21 4.89 Favored Glycine 0 CA--C 1.533 1.205 0 C-N-CA 124.153 0.882 . . . . 0.0 114.091 -175.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 59.5 ttt85 -153.21 145.01 23.52 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.645 1.578 . . . . 0.0 110.867 -175.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.0 t -127.79 126.09 66.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 123.52 0.728 . . . . 0.0 109.412 160.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -117.84 89.41 3.11 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 125.173 1.389 . . . . 0.0 110.341 -176.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -69.07 -11.24 60.61 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.721 1.608 . . . . 0.0 113.288 -170.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 58.4 mtt85 -63.5 -25.39 68.24 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.562 1.145 . . . . 0.0 112.615 169.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 29.4 t -129.75 -21.37 3.08 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.87 1.668 . . . . 0.0 113.398 -177.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.35 23.91 49.35 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 125.111 1.338 . . . . 0.0 113.852 -177.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 59.3 t -91.54 127.91 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 CA-C-N 118.266 1.033 . . . . 0.0 111.313 179.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 57.6 mt -101.97 122.93 54.81 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 C-N-CA 126.644 1.977 . . . . 0.0 108.108 167.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 24.3 m -112.22 128.68 56.32 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.063 0.945 . . . . 0.0 111.234 176.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 22.0 mt -97.44 153.29 18.21 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.795 0.838 . . . . 0.0 112.605 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -135.12 159.16 41.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 126.759 2.024 . . . . 0.0 110.464 178.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -73.26 132.19 42.84 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 120.957 -1.09 . . . . 0.0 111.767 174.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -93.89 -15.49 24.95 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.837 0.855 . . . . 0.0 112.044 170.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -73.08 175.11 7.01 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.677 1.591 . . . . 0.0 112.122 166.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 55.21 37.41 28.86 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.977 1.711 . . . . 0.0 114.141 175.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 . . . . . 0 C--O 1.251 1.157 0 C-N-CA 125.587 1.555 . . . . 0.0 112.766 -179.817 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.428 0 CA-C-O 120.042 -0.31 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -67.02 159.9 49.8 Favored 'Trans proline' 0 CA--C 1.543 0.932 0 C-N-CA 123.906 3.071 . . . . 0.0 112.55 176.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 78.61 13.57 83.04 Favored Glycine 0 CA--C 1.541 1.665 0 C-N-CA 124.128 0.87 . . . . 0.0 114.891 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 66.7 m -66.37 161.11 23.26 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.31 1.055 . . . . 0.0 112.812 175.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 ppp? -121.13 159.07 26.55 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.452 1.901 . . . . 0.0 110.259 176.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 40.4 t -79.9 147.19 31.78 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -164.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -64.6 151.04 45.76 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.826 2.05 . . . . 0.0 114.374 -172.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -84.78 179.3 7.37 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.751 1.22 . . . . 0.0 112.124 168.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.0 ptpt -123.41 144.69 49.33 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.065 1.746 . . . . 0.0 111.331 166.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 65.8 t -100.65 143.53 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 125.497 1.519 . . . . 0.0 110.622 178.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.4 p -128.62 143.38 41.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.534 1.533 . . . . 0.0 111.258 165.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 pp -145.86 160.55 41.64 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.671 1.588 . . . . 0.0 111.713 177.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.4 m -122.15 127.78 50.47 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.421 1.088 . . . . 0.0 110.97 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -77.77 167.49 21.45 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.066 1.746 . . . . 0.0 112.487 178.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.15 -23.94 67.67 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -178.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 54.2 p-10 -85.33 1.16 49.65 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.988 1.315 . . . . 0.0 113.888 173.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.18 -0.28 89.41 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 125.49 1.519 . . . . 0.0 115.364 -178.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.39 139.94 23.84 Favored Glycine 0 CA--C 1.529 0.95 0 CA-C-N 119.674 1.737 . . . . 0.0 112.008 173.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 59.7 mtm180 -98.8 153.13 18.99 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 118.204 1.002 . . . . 0.0 113.351 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 87.2 t -134.25 146.7 30.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 126.721 2.009 . . . . 0.0 109.412 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -132.87 151.4 52.04 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.585 1.154 . . . . 0.0 112.895 -178.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -132.38 115.86 26.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 125.575 1.55 . . . . 0.0 109.081 176.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.18 156.03 30.48 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 124.163 0.887 . . . . 0.0 114.154 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 53.92 48.41 21.3 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.575 1.55 . . . . 0.0 114.026 171.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.6 m -76.6 128.52 37.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 O-C-N 120.954 -1.091 . . . . 0.0 111.988 178.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 93.4 mt -78.03 -31.48 50.47 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.956 0.903 . . . . 0.0 111.17 171.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -157.54 146.84 19.96 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.732 1.213 . . . . 0.0 112.354 -174.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.4 t -140.33 134.3 34.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.7 1.6 . . . . 0.0 109.139 171.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.16 140.9 37.99 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 124.313 1.045 . . . . 0.0 112.563 179.291 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.45 134.95 36.05 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.446 1.098 . . . . 0.0 110.232 163.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -135.94 -175.3 3.93 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 127.557 2.343 . . . . 0.0 111.22 -177.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.54 85.04 0.03 OUTLIER Glycine 0 CA--C 1.538 1.498 0 C-N-CA 126.138 1.828 . . . . 0.0 113.87 -174.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.11 14.87 76.06 Favored Glycine 0 CA--C 1.538 1.528 0 C-N-CA 126.435 1.969 . . . . 0.0 115.395 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -156.5 161.01 40.05 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.176 1.488 . . . . 0.0 113.405 -177.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.9 t -98.84 144.99 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 123.712 0.805 . . . . 0.0 110.655 160.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 64.3 mtp180 -127.76 147.81 50.42 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.114 1.766 . . . . 0.0 111.374 170.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -146.69 146.11 19.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.743 1.217 . . . . 0.0 111.694 -172.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.6 m -123.76 130.98 53.47 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.065 1.346 . . . . 0.0 111.138 178.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 40.9 p -94.9 164.16 13.03 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.622 1.169 . . . . 0.0 114.13 -178.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.2 tp -49.83 -32.94 15.32 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.646 1.978 . . . . 0.0 113.092 168.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -82.37 8.06 12.42 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.35 1.86 . . . . 0.0 113.327 -179.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.9 t0 59.93 30.66 20.17 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 127.305 2.242 . . . . 0.0 114.13 -177.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -99.48 140.19 34.04 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.798 1.239 . . . . 0.0 111.223 173.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -97.21 143.38 28.06 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.665 0.745 . . . . 0.0 112.295 170.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -123.91 150.1 45.09 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 126.069 1.747 . . . . 0.0 110.589 170.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.05 138.08 31.52 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 124.675 1.19 . . . . 0.0 111.219 -178.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -139.94 91.22 10.41 Favored Pre-proline 0 CA--C 1.545 0.762 0 C-N-CA 125.033 1.333 . . . . 0.0 111.358 -170.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -61.01 146.3 97.94 Favored 'Trans proline' 0 CA--C 1.536 0.602 0 C-N-CA 123.413 2.742 . . . . 0.0 113.402 176.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.88 4.02 89.42 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 125.033 1.302 . . . . 0.0 115.276 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 45.9 mt -104.71 162.97 12.83 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 119.076 1.438 . . . . 0.0 113.536 176.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.35 160.81 39.35 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 127.595 2.358 . . . . 0.0 109.453 164.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 72.7 mt -73.01 122.55 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 O-C-N 120.829 -1.17 . . . . 0.0 109.552 177.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.06 -47.19 2.28 Favored Glycine 0 CA--C 1.527 0.842 0 C-N-CA 124.711 1.148 . . . . 0.0 114.065 -175.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -146.97 154.3 41.08 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 118.546 1.173 . . . . 0.0 112.711 -178.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.8 t -133.77 116.24 23.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 126.151 1.781 . . . . 0.0 109.37 169.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -103.3 90.33 3.68 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.219 1.408 . . . . 0.0 109.831 -179.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -66.77 -23.91 66.13 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.097 -1.002 . . . . 0.0 112.278 -178.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -65.73 -19.54 65.94 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.135 1.374 . . . . 0.0 113.915 170.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.0 m -124.19 -17.87 6.03 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.955 1.302 . . . . 0.0 114.406 -175.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.81 34.14 62.64 Favored Glycine 0 CA--C 1.533 1.2 0 CA-C-N 119.109 0.868 . . . . 0.0 113.457 -171.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.3 t -120.64 130.81 74.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.41 1.084 . . . . 0.0 111.537 -174.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 88.9 mt -106.72 136.12 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 126.64 1.976 . . . . 0.0 108.564 169.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.8 t -124.29 127.93 48.38 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.871 0.868 . . . . 0.0 111.26 177.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 27.2 mt -95.88 150.91 19.91 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.299 1.04 . . . . 0.0 111.699 176.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -132.03 161.34 41.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 126.268 1.827 . . . . 0.0 110.641 179.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -71.39 135.32 47.21 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 120.922 -1.111 . . . . 0.0 111.596 176.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.11 -7.98 54.51 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 114.387 1.255 . . . . 0.0 114.387 -176.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -141.2 157.69 44.91 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.431 1.892 . . . . 0.0 110.866 171.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -126.16 36.77 4.45 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.105 1.362 . . . . 0.0 112.739 -171.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.1 mmp_? . . . . . 0 C--O 1.256 1.445 0 C-N-CA 125.266 1.427 . . . . 0.0 112.806 177.368 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.653 0 CA-C-O 119.927 -0.374 . . . . 0.0 112.324 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -71.82 -27.32 18.06 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 123.698 2.932 . . . . 0.0 113.719 -176.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . 56.67 -150.78 26.18 Favored Glycine 0 CA--C 1.541 1.717 0 C-N-CA 124.702 1.144 . . . . 0.0 113.588 178.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 33.2 t -73.45 -41.6 63.01 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.954 0.901 . . . . 0.0 111.74 171.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 83.2 mtp -136.4 145.56 45.46 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.831 1.652 . . . . 0.0 111.871 -178.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 30.2 p -147.91 173.36 12.93 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.058 1.743 . . . . 0.0 111.212 -178.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 5.2 mpp? -62.36 144.02 56.27 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.384 0.674 . . . . 0.0 111.988 172.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -83.28 -179.19 7.32 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.856 1.262 . . . . 0.0 112.314 174.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -118.31 151.61 37.37 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.231 1.012 . . . . 0.0 111.937 158.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 76.4 t -103.02 144.83 13.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 124.722 1.209 . . . . 0.0 110.456 172.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 10.5 p -131.2 139.08 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 126.14 1.776 . . . . 0.0 110.769 169.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 pp -146.18 164.23 32.89 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.526 1.53 . . . . 0.0 111.442 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 20.6 m -121.96 129.16 52.27 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.135 0.974 . . . . 0.0 110.077 172.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -73.89 165.6 24.84 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.169 1.388 . . . . 0.0 112.062 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.07 -24.21 66.05 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 170.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -74.51 -6.4 48.18 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.717 1.607 . . . . 0.0 113.935 172.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.51 -5.16 84.34 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 125.996 1.76 . . . . 0.0 115.529 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.74 140.84 19.84 Favored Glycine 0 CA--C 1.535 1.308 0 CA-C-N 118.672 1.236 . . . . 0.0 112.883 175.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 30.9 mtm105 -81.29 157.24 25.19 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 118.039 0.92 . . . . 0.0 113.3 175.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 87.5 t -136.22 141.81 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 126.526 1.931 . . . . 0.0 109.14 171.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -127.61 143.92 51.12 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.635 1.174 . . . . 0.0 111.719 174.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 38.7 mt -130.77 107.68 14.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 125.612 1.565 . . . . 0.0 108.442 -174.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.69 154.88 40.46 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 123.982 0.801 . . . . 0.0 114.135 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 53.06 53.73 11.51 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.271 1.828 . . . . 0.0 114.621 168.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 18.5 m -79.89 134.1 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 124.439 1.096 . . . . 0.0 112.797 177.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 95.8 mt -81.87 -33.97 30.3 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.166 1.387 . . . . 0.0 112.268 172.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -159.68 144.45 15.19 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.23 0.612 . . . . 0.0 111.799 -171.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 38.6 t -137.31 139.75 43.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 124.962 1.305 . . . . 0.0 110.235 178.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 89.3 mtt180 -142.82 133.24 24.87 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.765 0.826 . . . . 0.0 112.06 -177.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -93.29 100.06 12.48 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.679 1.192 . . . . 0.0 109.561 162.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 25.8 pt-20 -155.59 149.35 25.27 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.565 1.146 . . . . 0.0 112.73 -177.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 68.76 25.25 75.27 Favored Glycine 0 CA--C 1.539 1.561 0 C-N-CA 124.214 0.912 . . . . 0.0 115.137 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.96 18.04 80.21 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.393 0.997 . . . . 0.0 114.542 -174.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.35 168.32 20.38 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.197 1.799 . . . . 0.0 111.605 -173.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 77.9 t -102.99 131.32 51.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 O-C-N 122.26 -0.275 . . . . 0.0 111.122 160.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -100.84 147.64 25.86 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.842 1.657 . . . . 0.0 110.727 168.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 31.7 t -137.63 139.51 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 125.203 1.401 . . . . 0.0 110.153 174.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 57.8 m -115.18 130.4 56.91 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.334 1.054 . . . . 0.0 110.035 169.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 57.3 p -98.84 168.56 10.05 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.276 1.03 . . . . 0.0 112.594 176.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -57.36 -16.48 9.12 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 178.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -82.5 3.33 28.82 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.044 1.338 . . . . 0.0 113.379 174.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 62.92 13.03 6.27 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 126.935 2.094 . . . . 0.0 114.109 -168.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -78.1 139.64 39.04 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 120.865 -1.147 . . . . 0.0 111.877 173.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -102.1 149.26 24.45 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.528 1.131 . . . . 0.0 112.537 174.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -136.81 149.09 47.55 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 126.479 1.912 . . . . 0.0 109.52 176.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -139.92 141.25 36.53 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.959 0.904 . . . . 0.0 112.9 -179.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -136.47 87.85 21.12 Favored Pre-proline 0 CA--C 1.543 0.691 0 C-N-CA 125.523 1.529 . . . . 0.0 110.807 -170.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -66.08 145.54 79.4 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 123.038 2.492 . . . . 0.0 113.025 -177.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.94 -0.58 89.11 Favored Glycine 0 CA--C 1.537 1.465 0 C-N-CA 124.837 1.208 . . . . 0.0 115.289 -177.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 59.3 mt -100.86 161.18 13.77 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.758 1.279 . . . . 0.0 113.53 176.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.53 164.18 30.85 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 127.948 2.499 . . . . 0.0 110.256 163.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 27.4 mt -72.81 121.57 23.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 O-C-N 121.029 -1.045 . . . . 0.0 109.358 176.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.17 -45.21 2.86 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 124.687 1.137 . . . . 0.0 114.013 -176.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 76.6 ttt-85 -150.14 145.13 26.13 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.576 1.15 . . . . 0.0 111.617 -177.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 32.4 t -131.73 120.8 46.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 126.496 1.919 . . . . 0.0 108.282 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -118.61 98.72 6.38 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.297 1.439 . . . . 0.0 110.531 -172.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -82.15 -4.09 56.25 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.017 1.327 . . . . 0.0 113.419 -171.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 67.8 mtt85 -65.33 -36.42 84.0 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.734 0.814 . . . . 0.0 111.552 174.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 36.7 m -134.83 -5.54 2.45 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.1 1.36 . . . . 0.0 114.501 -175.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.43 65.22 1.96 Allowed Glycine 0 CA--C 1.533 1.184 0 CA-C-N 119.353 0.978 . . . . 0.0 112.804 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 60.7 t -128.66 136.96 58.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 124.277 1.031 . . . . 0.0 111.158 177.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 85.8 mt -123.89 120.18 58.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 125.914 1.686 . . . . 0.0 109.323 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 16.0 m -105.0 129.84 53.36 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.68 1.192 . . . . 0.0 111.295 177.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 25.5 mt -99.03 153.01 19.2 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.287 1.035 . . . . 0.0 111.923 176.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -137.05 158.96 36.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 126.727 2.011 . . . . 0.0 111.162 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 19.2 mp0 -66.11 129.56 40.23 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.633 0.773 . . . . 0.0 111.926 175.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.61 -7.42 57.58 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -175.132 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -132.13 130.72 41.53 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.54 1.536 . . . . 0.0 110.642 175.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 -139.61 25.02 2.41 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.868 1.267 . . . . 0.0 112.564 -170.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? . . . . . 0 C--O 1.251 1.151 0 C-N-CA 127.114 2.166 . . . . 0.0 111.509 -179.057 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.61 0 N-CA-C 112.258 -0.337 . . . . 0.0 112.258 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -69.32 164.38 34.33 Favored 'Trans proline' 0 CA--C 1.543 0.974 0 C-N-CA 123.937 3.091 . . . . 0.0 112.84 177.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 82.13 176.76 51.45 Favored Glycine 0 CA--C 1.539 1.548 0 C-N-CA 124.768 1.175 . . . . 0.0 113.976 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 21.0 m 56.39 19.6 4.15 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 126.481 1.913 . . . . 0.0 115.069 -176.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.1 mtm -147.98 164.71 32.93 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 127.486 2.314 . . . . 0.0 110.948 -174.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 38.7 t -125.38 137.06 54.02 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.772 1.229 . . . . 0.0 111.454 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -85.4 160.94 19.64 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.871 1.268 . . . . 0.0 112.522 -176.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.43 167.97 20.79 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.682 0.793 . . . . 0.0 112.651 -178.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -117.09 134.27 54.97 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.463 1.105 . . . . 0.0 111.285 163.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 88.4 t -99.85 141.66 16.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 124.907 1.283 . . . . 0.0 109.867 176.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.1 p -141.52 141.83 29.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.86 1.264 . . . . 0.0 112.392 -177.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp -150.54 156.37 41.27 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.13 1.772 . . . . 0.0 112.412 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.3 m -108.64 129.8 55.33 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.187 1.395 . . . . 0.0 109.845 170.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt -79.96 162.63 24.82 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.248 1.419 . . . . 0.0 112.677 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.24 -19.54 63.3 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 124.144 0.977 . . . . 0.0 113.143 166.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -70.13 -11.32 60.8 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.575 1.55 . . . . 0.0 113.847 171.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.06 -10.31 53.68 Favored Glycine 0 CA--C 1.539 1.539 0 C-N-CA 125.688 1.613 . . . . 0.0 114.407 -170.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.24 172.05 55.14 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 125.072 1.32 . . . . 0.0 113.353 171.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -127.67 154.33 45.42 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.575 1.15 . . . . 0.0 113.113 -179.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 93.4 t -130.4 133.69 63.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 125.841 1.656 . . . . 0.0 109.897 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -127.88 136.92 52.05 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.716 1.606 . . . . 0.0 110.935 177.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.0 mt -133.9 109.59 13.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.688 1.195 . . . . 0.0 109.076 -174.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.68 175.33 45.39 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 124.286 0.946 . . . . 0.0 113.587 176.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 56.25 29.96 15.81 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.993 1.317 . . . . 0.0 113.993 177.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 72.3 t -73.23 114.33 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 124.439 1.096 . . . . 0.0 109.818 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.0 tp -86.21 -27.55 24.43 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.578 1.151 . . . . 0.0 111.82 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -155.43 148.92 25.05 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.082 1.353 . . . . 0.0 112.388 177.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.3 p -143.06 143.9 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 125.533 1.533 . . . . 0.0 110.702 173.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -134.92 143.99 47.23 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 126.051 1.74 . . . . 0.0 111.598 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.35 104.17 14.93 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.211 1.004 . . . . 0.0 109.034 160.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -81.24 -176.85 6.2 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.946 1.699 . . . . 0.0 111.745 176.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.4 81.03 0.21 Allowed Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.778 1.18 . . . . 0.0 112.718 174.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.54 20.97 49.83 Favored Glycine 0 CA--C 1.538 1.52 0 C-N-CA 125.332 1.444 . . . . 0.0 115.016 179.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -151.49 161.87 41.94 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.958 1.303 . . . . 0.0 111.987 178.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 82.1 t -98.44 145.7 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 O-C-N 121.564 -0.71 . . . . 0.0 109.73 157.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -137.03 131.74 33.26 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.452 1.501 . . . . 0.0 110.195 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.5 m -119.27 152.16 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 124.821 1.248 . . . . 0.0 111.899 -177.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 64.6 m -130.56 121.3 25.44 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.72 1.608 . . . . 0.0 109.65 174.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 42.0 p -83.7 161.0 21.19 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.458 0.703 . . . . 0.0 111.724 172.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.5 pp -65.37 -10.53 34.03 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 171.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -81.2 3.55 23.35 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 124.667 1.187 . . . . 0.0 113.15 171.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 63.44 11.41 5.54 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 127.391 2.277 . . . . 0.0 114.584 -171.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -82.32 141.58 32.76 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.073 -1.017 . . . . 0.0 111.183 170.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -122.6 152.7 40.18 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 125.124 1.37 . . . . 0.0 112.614 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -138.35 154.0 48.96 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.363 1.465 . . . . 0.0 110.418 171.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.38 145.14 34.99 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.908 0.883 . . . . 0.0 111.838 -178.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -138.5 92.03 12.0 Favored Pre-proline 0 CA--C 1.543 0.694 0 C-N-CA 125.468 1.507 . . . . 0.0 110.855 -170.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -60.76 147.27 95.59 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 123.589 2.859 . . . . 0.0 113.545 177.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.63 3.82 90.35 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 124.797 1.189 . . . . 0.0 114.522 178.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 56.6 mt -108.07 163.15 13.4 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 118.802 1.301 . . . . 0.0 113.027 176.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.92 160.06 40.65 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 127.604 2.362 . . . . 0.0 110.264 165.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 43.0 mt -68.24 117.97 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 O-C-N 121.468 -0.77 . . . . 0.0 109.063 174.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.43 -48.43 2.0 Favored Glycine 0 CA--C 1.528 0.844 0 C-N-CA 124.021 0.819 . . . . 0.0 114.353 -170.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 75.1 ttt-85 -152.62 140.16 19.73 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.547 1.139 . . . . 0.0 110.828 -174.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.1 t -119.55 134.27 63.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 123.698 0.799 . . . . 0.0 109.408 169.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -131.14 92.89 3.28 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.454 1.502 . . . . 0.0 110.637 -174.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -73.28 -15.24 61.41 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.616 1.166 . . . . 0.0 113.604 -166.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 50.0 mtm180 -66.88 -23.97 66.06 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.367 1.067 . . . . 0.0 112.325 173.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.1 m -124.1 -7.94 7.7 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.635 1.574 . . . . 0.0 113.937 178.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.36 21.88 79.21 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 125.273 1.416 . . . . 0.0 114.276 -178.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 96.0 t -93.14 137.15 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.721 1.208 . . . . 0.0 111.616 -173.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 86.0 mt -117.41 102.31 13.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 127.053 2.141 . . . . 0.0 108.016 172.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.9 m -90.21 127.76 36.21 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.073 0.949 . . . . 0.0 110.875 179.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.6 mt -92.99 153.86 18.49 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.597 0.759 . . . . 0.0 111.97 175.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -134.29 160.9 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 125.895 1.678 . . . . 0.0 111.044 178.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -71.27 134.88 47.13 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.151 -0.968 . . . . 0.0 111.956 177.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -74.73 -21.22 59.48 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -178.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -97.35 139.18 33.68 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.727 1.611 . . . . 0.0 110.614 167.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -126.16 9.31 7.36 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 125.117 1.367 . . . . 0.0 114.127 -174.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 . . . . . 0 C--O 1.253 1.251 0 C-N-CA 126.009 1.724 . . . . 0.0 112.688 177.494 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.562 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -67.64 164.2 32.11 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 124.089 3.193 . . . . 0.0 113.028 177.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . 78.4 17.01 78.62 Favored Glycine 0 CA--C 1.536 1.403 0 N-CA-C 115.225 0.85 . . . . 0.0 115.225 178.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 23.2 t -68.0 152.16 45.96 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.129 0.972 . . . . 0.0 112.436 174.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 11.5 ptp 55.15 173.62 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 128.687 2.795 . . . . 0.0 115.653 -173.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 42.5 t -149.23 150.55 32.77 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.776 1.63 . . . . 0.0 111.261 -176.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -127.25 -83.09 0.61 Allowed 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.967 1.307 . . . . 0.0 112.599 -176.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -151.3 159.23 44.43 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.961 1.305 . . . . 0.0 112.147 -177.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -101.65 134.82 44.2 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.341 1.456 . . . . 0.0 111.068 172.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 4.6 t -100.18 138.74 23.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 125.286 1.434 . . . . 0.0 109.69 165.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -139.65 140.99 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 124.906 1.282 . . . . 0.0 112.313 -179.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 pp -142.79 156.62 45.0 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.744 1.617 . . . . 0.0 112.653 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 16.8 m -107.27 131.56 54.06 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.721 1.209 . . . . 0.0 110.872 172.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -80.25 162.98 24.34 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.393 1.877 . . . . 0.0 112.931 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.1 -23.88 67.28 Favored 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 174.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 47.0 p30 -80.79 0.19 35.9 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.109 1.364 . . . . 0.0 113.727 175.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.84 -6.83 82.18 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 125.118 1.342 . . . . 0.0 115.234 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.73 174.6 52.56 Favored Glycine 0 CA--C 1.54 1.652 0 CA-C-N 119.109 1.454 . . . . 0.0 113.275 170.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -130.01 152.55 49.34 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.148 1.379 . . . . 0.0 113.114 178.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 97.5 t -128.68 138.51 54.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 126.171 1.788 . . . . 0.0 109.308 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -129.15 141.45 51.17 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.194 1.397 . . . . 0.0 111.225 -177.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 92.5 mt -132.14 111.23 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 125.738 1.615 . . . . 0.0 108.307 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.57 168.31 41.79 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.302 0.953 . . . . 0.0 114.197 178.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 53.26 43.21 31.8 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.93 1.692 . . . . 0.0 113.922 172.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 90.4 t -71.08 129.8 34.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 124.49 1.116 . . . . 0.0 111.46 -178.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 96.2 mt -89.21 -39.0 13.84 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.733 1.213 . . . . 0.0 112.305 170.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -151.53 142.92 23.44 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.589 1.156 . . . . 0.0 111.676 -177.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 7.2 p -142.87 144.67 23.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 125.023 1.329 . . . . 0.0 110.606 173.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -137.2 144.78 43.04 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.116 1.367 . . . . 0.0 112.658 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.6 109.45 20.61 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 152.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 53.7 tt0 -152.54 130.09 11.47 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.241 1.016 . . . . 0.0 111.505 -173.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.74 30.7 68.12 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 123.935 0.779 . . . . 0.0 114.937 173.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.97 20.33 79.5 Favored Glycine 0 CA--C 1.531 1.081 0 CA-C-N 118.062 0.931 . . . . 0.0 114.202 -177.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.56 166.48 27.21 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.271 1.828 . . . . 0.0 111.072 -177.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 49.9 t -99.74 135.79 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 O-C-N 121.85 -0.531 . . . . 0.0 110.745 162.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -119.13 143.88 46.95 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.408 1.883 . . . . 0.0 109.985 171.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 9.8 p -147.66 145.8 18.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 C-N-CA 124.496 1.118 . . . . 0.0 112.811 -174.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 63.1 m -129.12 132.56 47.4 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.858 2.063 . . . . 0.0 111.043 -176.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 32.3 p -105.05 167.1 9.93 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.559 1.144 . . . . 0.0 113.929 -175.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 51.7 tp -45.97 -35.76 4.98 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 127.608 2.363 . . . . 0.0 114.237 170.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -84.45 6.75 22.19 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.081 1.752 . . . . 0.0 113.889 -176.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 61.4 11.58 3.79 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.797 2.039 . . . . 0.0 114.35 -170.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -76.39 142.04 41.26 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 120.973 -1.079 . . . . 0.0 110.499 169.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -124.43 151.27 44.7 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.881 1.272 . . . . 0.0 112.116 -178.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 -138.01 156.88 47.37 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.626 1.57 . . . . 0.0 111.539 179.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -145.65 143.78 30.04 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.206 1.002 . . . . 0.0 112.376 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -142.95 95.25 6.24 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 125.645 1.578 . . . . 0.0 111.886 -169.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -60.72 146.64 96.94 Favored 'Trans proline' 0 CA--C 1.54 0.816 0 C-N-CA 123.673 2.915 . . . . 0.0 114.013 178.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.1 4.81 89.79 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 124.399 1.0 . . . . 0.0 115.119 177.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 48.0 mt -105.87 161.88 14.06 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 118.614 1.207 . . . . 0.0 113.769 177.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.73 163.59 32.88 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 127.944 2.498 . . . . 0.0 110.063 165.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 32.0 mt -74.31 124.88 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 O-C-N 121.27 -0.894 . . . . 0.0 109.124 175.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -103.5 -36.03 3.41 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 124.41 1.005 . . . . 0.0 114.651 -173.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 76.0 ttt-85 -157.44 147.57 20.73 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-N 118.658 1.229 . . . . 0.0 111.022 -175.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 13.8 t -130.3 133.12 64.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 123.937 0.895 . . . . 0.0 109.712 167.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -125.64 101.2 6.78 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.652 1.581 . . . . 0.0 110.875 -174.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -81.94 -3.94 55.48 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.595 1.158 . . . . 0.0 112.971 -171.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 65.2 mtt85 -64.51 -27.53 69.03 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.31 1.044 . . . . 0.0 112.0 166.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 45.6 m -131.81 -12.27 3.35 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.7 1.6 . . . . 0.0 114.202 -174.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.76 41.3 34.72 Favored Glycine 0 CA--C 1.532 1.097 0 C-N-CA 124.17 0.89 . . . . 0.0 113.024 -178.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 43.1 t -117.07 135.06 58.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.553 1.141 . . . . 0.0 111.845 -175.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 44.9 mt -116.35 114.74 46.94 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 C-N-CA 127.744 2.418 . . . . 0.0 107.951 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 22.9 t -105.41 132.71 51.25 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.782 1.233 . . . . 0.0 111.926 -176.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 mp -103.32 148.2 26.14 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.814 1.646 . . . . 0.0 111.382 -176.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -135.43 160.36 40.13 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 126.272 1.829 . . . . 0.0 111.407 -177.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 26.5 mp0 -70.84 127.12 31.54 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.274 1.03 . . . . 0.0 112.008 177.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -75.98 -12.78 60.2 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 -171.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -141.83 145.5 34.76 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.939 1.696 . . . . 0.0 110.098 168.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -128.92 13.54 6.3 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -162.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 . . . . . 0 C--O 1.251 1.146 0 C-N-CA 126.53 1.932 . . . . 0.0 112.525 178.378 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.343 0 CA-C-O 119.807 -0.441 . . . . 0.0 112.291 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_exo -58.92 148.25 85.44 Favored 'Trans proline' 0 CA--C 1.538 0.721 0 C-N-CA 124.212 3.274 . . . . 0.0 114.45 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 175.73 140.61 3.49 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 124.889 1.233 . . . . 0.0 112.827 174.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 23.9 t -153.98 154.25 33.43 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.753 1.221 . . . . 0.0 112.606 179.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.67 -3.82 48.99 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.717 1.607 . . . . 0.0 114.879 178.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 31.5 p -144.36 168.17 20.72 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.661 1.584 . . . . 0.0 112.284 179.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 36.1 mtm -62.32 -50.32 72.12 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.194 1.397 . . . . 0.0 111.757 178.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -160.51 168.97 23.95 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.412 1.885 . . . . 0.0 109.901 165.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -138.41 135.52 35.34 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.306 1.442 . . . . 0.0 111.123 173.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.2 t -101.66 142.96 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 125.266 1.426 . . . . 0.0 110.453 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.9 p -136.68 140.27 43.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 125.316 1.446 . . . . 0.0 111.638 172.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 pp -151.53 164.14 37.48 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.642 1.577 . . . . 0.0 112.005 -177.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.5 m -125.07 129.67 50.71 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.547 1.139 . . . . 0.0 110.563 171.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -75.21 166.56 23.44 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.982 1.713 . . . . 0.0 111.729 -178.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.78 -25.08 67.25 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 174.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -77.63 -2.63 36.87 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 125.433 1.493 . . . . 0.0 114.085 173.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.13 -2.49 87.63 Favored Glycine 0 CA--C 1.54 1.607 0 C-N-CA 125.472 1.511 . . . . 0.0 115.586 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -85.15 140.89 18.82 Favored Glycine 0 CA--C 1.532 1.102 0 CA-C-N 119.005 1.403 . . . . 0.0 112.311 175.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.5 mtm-85 -83.57 161.04 21.3 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 118.404 1.102 . . . . 0.0 113.469 177.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 52.9 t -134.39 142.42 40.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 125.612 1.565 . . . . 0.0 109.28 166.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.0 mp0 -131.32 142.47 50.1 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.552 1.541 . . . . 0.0 110.771 177.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 32.9 mt -135.28 122.66 36.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 125.034 1.334 . . . . 0.0 109.222 -178.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -96.23 173.23 29.97 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 124.72 1.152 . . . . 0.0 113.834 173.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 54.67 40.36 31.84 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.14 1.376 . . . . 0.0 114.117 175.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 83.7 t -78.21 128.72 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 125.446 1.498 . . . . 0.0 112.096 -176.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 89.4 mt -92.38 -33.77 14.44 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.282 1.433 . . . . 0.0 112.772 172.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 62.8 tt0 -157.64 147.39 20.25 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 118.781 0.719 . . . . 0.0 112.103 -169.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.1 t -137.8 139.76 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.707 1.603 . . . . 0.0 110.011 175.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -137.88 114.99 10.89 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.598 1.159 . . . . 0.0 112.393 178.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.2 98.54 11.8 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.964 1.706 . . . . 0.0 110.097 169.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -161.21 153.48 20.1 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.349 1.06 . . . . 0.0 113.028 -174.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 62.47 24.61 66.05 Favored Glycine 0 CA--C 1.537 1.437 0 O-C-N 121.402 -0.811 . . . . 0.0 115.026 178.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.36 15.94 77.25 Favored Glycine 0 CA--C 1.539 1.58 0 C-N-CA 124.643 1.115 . . . . 0.0 114.743 -177.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.02 157.42 43.87 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 118.984 1.392 . . . . 0.0 112.351 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 82.8 t -100.24 136.63 30.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 122.936 0.495 . . . . 0.0 110.487 164.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.0 mtt85 -116.57 150.5 37.91 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.861 1.665 . . . . 0.0 110.069 173.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.1 t -136.69 140.89 42.31 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 125.416 1.486 . . . . 0.0 110.324 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 36.0 m -123.89 145.0 49.42 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.251 1.421 . . . . 0.0 110.839 177.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 49.3 p -130.54 163.9 26.05 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.87 1.268 . . . . 0.0 112.19 -176.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.98 -5.71 13.9 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 115.424 1.638 . . . . 0.0 115.424 -179.269 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -78.02 0.73 23.36 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.651 1.181 . . . . 0.0 113.274 170.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 61.01 13.3 4.49 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 126.673 1.989 . . . . 0.0 114.016 -164.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -83.84 155.56 22.9 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.76 1.224 . . . . 0.0 112.266 172.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -137.07 150.38 48.0 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.697 1.599 . . . . 0.0 112.372 -178.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 -132.19 154.0 50.0 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.945 1.698 . . . . 0.0 110.689 -179.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -146.13 140.18 26.5 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.042 0.937 . . . . 0.0 112.817 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -141.25 95.55 7.37 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 125.411 1.484 . . . . 0.0 111.12 -170.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -60.33 149.37 86.18 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 123.878 3.052 . . . . 0.0 113.507 175.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.37 9.8 86.11 Favored Glycine 0 CA--C 1.533 1.169 0 C-N-CA 124.827 1.203 . . . . 0.0 115.254 175.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.8 mt -111.47 161.97 15.58 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.846 1.258 . . . . 0.0 113.822 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -146.14 163.04 36.6 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 127.562 2.345 . . . . 0.0 110.467 165.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 23.2 mt -74.52 123.57 30.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 O-C-N 121.119 -0.988 . . . . 0.0 110.044 177.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -88.07 -45.32 5.11 Favored Glycine 0 N--CA 1.471 0.97 0 C-N-CA 124.603 1.097 . . . . 0.0 113.308 177.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -156.19 162.71 40.16 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.71 1.204 . . . . 0.0 113.144 173.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.35 124.24 51.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.826 1.251 . . . . 0.0 109.147 170.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -110.0 91.34 3.61 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.927 1.691 . . . . 0.0 110.409 -177.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -67.96 -16.39 64.04 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.714 1.206 . . . . 0.0 113.38 -171.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.9 mtm180 -61.47 -26.76 68.1 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.883 0.873 . . . . 0.0 113.075 173.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.2 t -134.22 4.38 3.46 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.808 1.243 . . . . 0.0 113.507 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.77 18.23 72.07 Favored Glycine 0 CA--C 1.539 1.559 0 C-N-CA 124.777 1.18 . . . . 0.0 115.076 -178.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.7 t -81.55 124.18 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 CA-C-N 118.816 1.308 . . . . 0.0 111.052 -176.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 97.3 mt -106.98 115.8 49.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 126.56 1.944 . . . . 0.0 108.628 173.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.4 t -103.64 125.26 50.04 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.405 1.082 . . . . 0.0 111.355 -178.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 27.0 mt -102.36 148.56 25.33 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.471 1.109 . . . . 0.0 112.171 177.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.7 pp -133.84 162.09 39.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 126.934 2.094 . . . . 0.0 110.491 -179.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -69.42 128.66 37.33 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.502 -0.749 . . . . 0.0 111.522 176.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -70.85 -16.21 62.69 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -175.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -126.66 118.12 24.13 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.438 1.495 . . . . 0.0 109.181 163.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -142.68 3.35 1.45 Allowed 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 -171.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 80.4 mtp85 . . . . . 0 C--O 1.258 1.535 0 C-N-CA 125.52 1.528 . . . . 0.0 112.418 179.026 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.403 0 N-CA-C 111.767 -0.533 . . . . 0.0 111.767 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -67.68 150.67 79.5 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 123.495 2.797 . . . . 0.0 112.793 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -71.8 135.49 23.24 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 123.869 0.747 . . . . 0.0 112.758 177.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 22.8 t -158.18 153.67 26.11 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.273 1.429 . . . . 0.0 111.436 175.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -156.66 144.68 19.47 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.309 1.444 . . . . 0.0 112.363 -176.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 63.4 m -132.08 12.43 4.7 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.187 1.395 . . . . 0.0 113.457 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 53.3 mtm -69.17 150.51 47.42 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.543 1.537 . . . . 0.0 113.43 -174.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -102.05 179.49 4.31 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.015 1.326 . . . . 0.0 112.241 177.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.53 142.12 48.62 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.694 1.198 . . . . 0.0 111.709 158.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 19.8 t -99.71 145.28 10.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 125.692 1.597 . . . . 0.0 110.093 -179.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 12.4 p -135.13 141.16 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 125.108 1.363 . . . . 0.0 111.631 171.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -149.83 155.86 40.81 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.556 1.542 . . . . 0.0 112.613 -176.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 17.0 m -116.1 132.83 56.54 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.142 1.377 . . . . 0.0 110.916 178.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -85.22 160.55 19.86 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 126.372 1.869 . . . . 0.0 112.075 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.69 -24.94 67.9 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 177.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -78.21 -0.73 29.66 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 125.03 1.332 . . . . 0.0 113.51 174.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.54 -3.85 86.56 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 125.517 1.532 . . . . 0.0 115.358 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.84 166.07 54.41 Favored Glycine 0 N--CA 1.476 1.3 0 CA-C-N 118.676 1.238 . . . . 0.0 112.843 172.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -127.5 152.49 47.52 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.836 1.255 . . . . 0.0 113.563 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 96.2 t -131.84 141.6 45.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 125.666 1.586 . . . . 0.0 109.76 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -130.29 141.88 50.58 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.254 1.422 . . . . 0.0 111.737 177.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 53.1 mt -138.6 110.98 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 124.713 1.205 . . . . 0.0 109.309 -169.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.79 162.72 33.04 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 124.464 1.031 . . . . 0.0 115.428 -175.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 55.96 45.01 24.69 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.259 1.823 . . . . 0.0 113.821 170.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 3.2 p -79.78 127.62 39.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 123.976 0.911 . . . . 0.0 111.334 -178.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 86.4 mt -82.69 -34.43 27.34 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.408 1.483 . . . . 0.0 112.671 173.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -155.94 143.67 19.57 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.39 1.076 . . . . 0.0 112.341 -179.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 19.0 m -124.82 145.25 32.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 125.101 1.36 . . . . 0.0 110.548 167.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -138.19 138.45 38.57 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.125 1.37 . . . . 0.0 111.035 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.74 120.34 33.03 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.752 0.821 . . . . 0.0 108.982 164.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -156.14 130.9 9.05 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.912 0.885 . . . . 0.0 112.21 -168.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 64.42 25.99 70.39 Favored Glycine 0 CA--C 1.538 1.507 0 N-CA-C 115.36 0.904 . . . . 0.0 115.36 172.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.31 21.78 69.29 Favored Glycine 0 CA--C 1.541 1.657 0 CA-C-N 118.701 1.251 . . . . 0.0 113.968 -173.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.69 168.58 19.38 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.494 1.918 . . . . 0.0 111.323 -179.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 60.9 t -106.58 141.0 22.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 122.921 0.489 . . . . 0.0 111.365 162.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -118.21 143.17 46.74 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 126.649 1.98 . . . . 0.0 110.108 171.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 3.7 m -137.93 140.14 41.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.804 1.242 . . . . 0.0 110.72 -177.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 92.8 m -132.74 132.95 42.86 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.614 1.166 . . . . 0.0 111.638 -173.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 29.8 p -113.71 169.17 9.18 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.96 1.304 . . . . 0.0 113.51 -174.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -60.77 -14.96 24.66 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 115.975 1.843 . . . . 0.0 115.975 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -81.47 4.09 22.38 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.882 1.273 . . . . 0.0 113.627 174.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 61.77 14.3 6.08 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.329 1.852 . . . . 0.0 114.036 -166.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -79.44 155.4 28.35 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.159 0.983 . . . . 0.0 112.265 171.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -144.27 141.61 29.93 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.46 1.504 . . . . 0.0 110.804 -175.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -134.52 153.66 51.83 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.424 1.49 . . . . 0.0 110.316 178.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -140.07 141.82 36.18 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.468 1.107 . . . . 0.0 112.62 -176.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -138.18 96.98 9.85 Favored Pre-proline 0 CA--C 1.546 0.805 0 C-N-CA 125.697 1.599 . . . . 0.0 111.048 -169.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -62.43 147.86 94.21 Favored 'Trans proline' 0 CA--C 1.533 0.469 0 C-N-CA 123.951 3.101 . . . . 0.0 113.737 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.66 3.08 90.66 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 124.924 1.25 . . . . 0.0 114.452 176.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 63.6 mt -107.42 161.28 14.96 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 118.934 1.367 . . . . 0.0 113.587 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.61 161.49 37.93 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 128.596 2.758 . . . . 0.0 109.91 167.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 22.6 mt -74.3 122.83 28.41 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 O-C-N 120.992 -1.068 . . . . 0.0 109.87 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.61 -49.24 1.31 Allowed Glycine 0 CA--C 1.53 1.005 0 C-N-CA 124.58 1.086 . . . . 0.0 114.529 -173.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -143.24 156.82 44.83 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 118.127 0.964 . . . . 0.0 112.867 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 12.2 t -135.76 131.55 50.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 126.436 1.895 . . . . 0.0 109.03 172.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -130.55 111.49 12.31 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.03 1.332 . . . . 0.0 110.114 173.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -81.04 -15.01 57.3 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.966 0.906 . . . . 0.0 113.382 -175.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 56.2 mtm180 -68.98 -45.93 69.39 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.612 1.165 . . . . 0.0 111.509 175.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 12.3 m -88.87 -19.4 25.92 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.773 1.229 . . . . 0.0 113.565 173.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.66 36.9 58.09 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 124.345 0.974 . . . . 0.0 113.398 -171.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 71.5 t -109.3 139.93 30.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 125.318 1.447 . . . . 0.0 112.281 -172.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 73.6 mt -119.65 128.76 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 125.982 1.713 . . . . 0.0 108.422 170.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 24.4 m -114.3 128.35 56.31 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.089 0.955 . . . . 0.0 111.051 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 23.6 mt -94.61 152.3 18.62 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.003 0.921 . . . . 0.0 112.415 176.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -135.96 164.39 32.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 126.647 1.979 . . . . 0.0 110.772 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -70.31 132.04 45.07 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.898 -1.126 . . . . 0.0 112.229 177.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -72.43 -22.77 61.04 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 -176.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -143.57 150.43 38.83 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 126.608 1.963 . . . . 0.0 110.539 171.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -121.91 8.35 9.91 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 124.874 1.27 . . . . 0.0 113.767 -176.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 79.3 mtp85 . . . . . 0 C--O 1.255 1.349 0 C-N-CA 125.45 1.5 . . . . 0.0 112.328 -179.728 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.565 0 N-CA-C 111.892 -0.483 . . . . 0.0 111.892 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -65.93 139.37 56.4 Favored 'Trans proline' 0 CA--C 1.539 0.747 0 C-N-CA 123.459 2.772 . . . . 0.0 111.799 176.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 69.6 8.95 61.0 Favored Glycine 0 CA--C 1.541 1.671 0 C-N-CA 124.589 1.09 . . . . 0.0 115.748 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 68.7 m -78.09 -15.13 59.16 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 -176.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.6 ptm -67.66 149.03 50.56 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.417 1.087 . . . . 0.0 112.886 177.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 28.9 p -154.94 167.7 29.42 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.152 1.381 . . . . 0.0 112.116 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -130.74 172.7 11.69 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.922 1.689 . . . . 0.0 111.737 -179.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.52 -179.14 1.99 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.528 1.131 . . . . 0.0 113.411 176.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -135.95 143.85 45.11 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.444 1.897 . . . . 0.0 110.753 170.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.0 t -99.16 143.72 12.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 124.734 1.213 . . . . 0.0 109.953 179.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.5 p -133.97 145.6 32.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 125.728 1.611 . . . . 0.0 111.043 167.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -151.99 156.96 41.04 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.416 1.086 . . . . 0.0 113.221 -178.286 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.6 m -113.32 124.18 51.88 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.784 1.234 . . . . 0.0 109.076 165.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -76.95 164.95 25.3 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 126.373 1.869 . . . . 0.0 112.193 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.35 -22.59 66.97 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 -178.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 55.0 p-10 -85.87 1.85 48.24 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.386 1.474 . . . . 0.0 114.024 173.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.65 1.12 90.09 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 125.394 1.473 . . . . 0.0 115.492 -178.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.3 159.91 53.58 Favored Glycine 0 CA--C 1.534 1.227 0 CA-C-N 119.232 1.516 . . . . 0.0 112.222 171.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 -122.49 147.98 45.71 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.609 1.163 . . . . 0.0 112.878 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.4 t -139.87 142.77 31.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.371 1.468 . . . . 0.0 109.92 -175.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -129.49 142.93 50.66 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.827 1.651 . . . . 0.0 111.201 175.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 46.0 mt -133.04 112.65 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 125.461 1.504 . . . . 0.0 109.215 -178.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.75 162.26 32.75 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 124.363 0.982 . . . . 0.0 114.149 175.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 52.43 43.44 30.93 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 126.051 1.74 . . . . 0.0 113.715 174.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.2 p -73.69 135.97 26.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 124.012 0.925 . . . . 0.0 111.133 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.6 mt -94.48 -35.15 12.43 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.365 1.066 . . . . 0.0 112.275 175.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -155.15 143.48 20.33 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.019 0.928 . . . . 0.0 112.355 -175.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.9 t -133.89 140.75 45.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 125.843 1.657 . . . . 0.0 109.716 174.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -134.01 146.44 50.4 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.711 1.605 . . . . 0.0 111.325 175.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -121.34 130.84 53.85 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.458 1.503 . . . . 0.0 111.263 176.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -131.35 156.91 44.69 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.285 1.834 . . . . 0.0 109.27 173.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.39 -25.58 55.05 Favored Glycine 0 CA--C 1.541 1.687 0 O-C-N 120.677 -1.264 . . . . 0.0 115.146 -174.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.87 -39.29 11.99 Favored Glycine 0 CA--C 1.539 1.55 0 CA-C-N 118.408 1.104 . . . . 0.0 114.755 172.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -163.76 155.14 16.52 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 119.171 1.485 . . . . 0.0 113.89 -171.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.8 t -87.89 147.8 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 124.254 1.022 . . . . 0.0 110.284 160.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -134.95 142.88 46.6 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 126.479 1.912 . . . . 0.0 110.578 177.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -148.49 145.64 18.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 124.074 0.95 . . . . 0.0 112.181 -174.086 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 42.3 m -133.85 132.67 40.64 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.497 1.119 . . . . 0.0 112.547 -177.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 44.5 p -102.74 167.14 10.08 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.581 1.552 . . . . 0.0 113.392 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.45 -8.99 45.75 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.552 1.316 . . . . 0.0 114.552 171.12 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -78.19 1.85 20.08 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.285 1.034 . . . . 0.0 112.595 171.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.306 2.0 p30 56.77 10.95 0.81 Allowed 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 128.936 2.895 . . . . 0.0 114.686 -165.252 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -74.37 129.01 36.98 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.349 1.06 . . . . 0.0 111.187 171.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -102.43 148.36 25.6 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.177 1.391 . . . . 0.0 111.426 175.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -134.07 145.06 49.03 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.094 1.758 . . . . 0.0 110.36 179.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -148.43 140.71 24.17 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.17 0.988 . . . . 0.0 112.084 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -142.23 101.63 5.7 Favored Pre-proline 0 CA--C 1.545 0.751 0 C-N-CA 124.567 1.147 . . . . 0.0 111.967 -170.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -61.34 148.09 93.85 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 123.374 2.716 . . . . 0.0 114.07 176.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.16 3.89 82.54 Favored Glycine 0 CA--C 1.539 1.542 0 C-N-CA 125.358 1.456 . . . . 0.0 115.674 175.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 73.0 mt -100.83 163.62 12.23 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.645 1.223 . . . . 0.0 113.411 177.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.83 160.06 40.97 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 127.94 2.496 . . . . 0.0 109.483 163.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 20.6 mt -71.57 123.38 25.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 O-C-N 120.484 -1.385 . . . . 0.0 108.894 175.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.5 -34.19 5.1 Favored Glycine 0 CA--C 1.529 0.922 0 C-N-CA 124.839 1.209 . . . . 0.0 114.195 -174.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -158.02 147.66 19.88 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 118.463 1.131 . . . . 0.0 111.474 -173.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.7 t -130.91 126.84 60.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 160.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -117.09 111.36 19.42 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.875 1.27 . . . . 0.0 109.412 174.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -81.93 -15.17 54.78 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.492 1.117 . . . . 0.0 112.646 -172.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 34.2 mtm180 -70.19 -35.13 73.72 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.273 1.029 . . . . 0.0 111.468 175.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 80.5 p -105.56 -11.81 16.22 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.911 1.684 . . . . 0.0 113.539 177.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.86 30.6 67.94 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 124.977 1.275 . . . . 0.0 113.926 -177.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.3 t -104.41 126.64 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.696 1.199 . . . . 0.0 112.123 -175.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.5 mt -97.13 134.5 34.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 126.073 1.749 . . . . 0.0 107.667 162.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.4 t -127.65 132.9 49.67 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.215 1.006 . . . . 0.0 111.871 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.9 mt -98.49 152.14 19.86 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.746 1.219 . . . . 0.0 112.23 178.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -135.16 160.29 40.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 126.915 2.086 . . . . 0.0 110.908 178.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -68.2 130.12 41.98 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.424 -0.797 . . . . 0.0 111.411 175.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -69.54 -18.63 63.68 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -168.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -139.56 149.58 44.04 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.84 1.256 . . . . 0.0 110.818 165.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -125.09 19.62 8.32 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 124.752 1.221 . . . . 0.0 113.154 -171.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 70.2 mtm180 . . . . . 0 C--O 1.257 1.493 0 C-N-CA 125.955 1.702 . . . . 0.0 112.809 -179.846 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.588 0 CA-C-O 119.802 -0.443 . . . . 0.0 112.027 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -66.68 148.22 82.7 Favored 'Trans proline' 0 CA--C 1.542 0.877 0 C-N-CA 123.376 2.717 . . . . 0.0 112.956 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -75.96 146.54 33.77 Favored Glycine 0 CA--C 1.538 1.522 0 C-N-CA 124.322 0.963 . . . . 0.0 113.596 177.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 89.9 p -77.06 155.98 32.1 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.372 1.069 . . . . 0.0 112.49 176.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.8 pmm? -102.1 5.61 40.52 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.672 1.589 . . . . 0.0 113.847 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 62.6 m 60.31 172.68 0.09 Allowed 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 126.882 2.073 . . . . 0.0 114.409 -169.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 60.2 mtm -138.75 151.17 46.88 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.279 1.431 . . . . 0.0 111.813 -171.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.68 163.31 18.34 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.154 0.982 . . . . 0.0 113.366 -178.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -96.79 141.81 29.56 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.487 1.915 . . . . 0.0 110.405 165.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 59.6 t -113.92 141.89 28.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 125.273 1.429 . . . . 0.0 109.76 169.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -139.73 143.03 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 125.214 1.406 . . . . 0.0 112.042 178.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 pp -144.45 154.56 43.07 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.89 1.676 . . . . 0.0 111.178 178.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 37.2 m -119.4 122.3 41.46 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.25 1.02 . . . . 0.0 110.101 172.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -71.86 163.7 27.36 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.385 1.074 . . . . 0.0 112.037 178.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.03 -27.39 68.29 Favored 'General case' 0 CA--C 1.552 1.047 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 -178.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -79.56 2.97 20.29 Favored 'General case' 0 CA--C 1.556 1.181 0 C-N-CA 125.592 1.557 . . . . 0.0 113.659 174.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.36 0.49 90.11 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 125.71 1.624 . . . . 0.0 115.242 -177.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.99 114.77 4.06 Favored Glycine 0 CA--C 1.532 1.133 0 CA-C-N 118.849 1.325 . . . . 0.0 112.589 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 19.4 ttp180 -77.5 144.96 37.29 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 124.564 1.146 . . . . 0.0 112.707 176.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 60.0 t -132.2 134.84 59.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 126.133 1.773 . . . . 0.0 109.207 176.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -132.55 137.45 47.13 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.394 1.478 . . . . 0.0 111.2 -173.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 65.6 mt -134.91 111.83 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 125.388 1.475 . . . . 0.0 109.154 -172.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.94 158.9 35.44 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 123.562 0.601 . . . . 0.0 113.558 175.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 56.61 48.86 15.69 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.744 1.618 . . . . 0.0 114.866 167.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 19.1 m -76.83 134.51 28.62 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 O-C-N 121.086 -1.008 . . . . 0.0 111.91 168.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 91.8 mt -75.98 -35.11 59.74 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.409 1.084 . . . . 0.0 110.509 165.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -155.97 149.21 24.54 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.791 1.236 . . . . 0.0 111.994 -172.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 7.1 p -140.18 141.64 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 126.215 1.806 . . . . 0.0 109.963 172.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -137.75 131.48 31.35 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.606 1.563 . . . . 0.0 111.054 -177.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.03 114.22 26.69 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.512 1.125 . . . . 0.0 109.181 161.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -157.35 144.86 18.72 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.156 1.382 . . . . 0.0 112.054 -174.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.62 22.95 66.53 Favored Glycine 0 CA--C 1.537 1.442 0 N-CA-C 115.605 1.002 . . . . 0.0 115.605 176.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.33 21.22 73.55 Favored Glycine 0 CA--C 1.536 1.361 0 CA-C-N 118.558 1.179 . . . . 0.0 114.408 -173.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.89 169.03 18.34 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.613 1.965 . . . . 0.0 111.179 -177.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 77.8 t -109.72 142.16 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 O-C-N 121.464 -0.772 . . . . 0.0 110.908 162.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 25.0 mtp-105 -126.22 152.97 45.36 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.294 1.437 . . . . 0.0 111.133 169.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 29.4 m -132.45 153.17 37.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 125.765 1.626 . . . . 0.0 111.915 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 54.9 m -129.44 131.2 46.69 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.613 1.565 . . . . 0.0 109.78 174.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 23.4 p -110.9 169.05 9.02 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.316 1.046 . . . . 0.0 113.392 -175.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -56.23 -19.06 12.25 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 115.446 1.646 . . . . 0.0 115.446 175.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -82.85 2.36 34.63 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.168 1.387 . . . . 0.0 113.196 176.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 60.64 14.86 5.28 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 126.031 1.732 . . . . 0.0 113.94 -165.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -76.42 154.05 35.14 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.968 0.907 . . . . 0.0 111.8 170.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -132.18 146.29 51.93 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 124.646 1.178 . . . . 0.0 111.675 173.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -138.3 154.53 49.01 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.613 1.565 . . . . 0.0 110.871 -178.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -140.77 144.13 35.3 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.926 0.89 . . . . 0.0 113.21 -171.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -141.8 93.69 7.5 Favored Pre-proline 0 CA--C 1.544 0.735 0 C-N-CA 125.61 1.564 . . . . 0.0 110.396 -170.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -62.86 149.56 91.06 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 123.738 2.959 . . . . 0.0 114.048 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.86 4.19 90.44 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 125.0 1.286 . . . . 0.0 114.872 176.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 57.2 mt -106.77 160.4 15.51 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.984 1.314 . . . . 0.0 113.838 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.49 162.66 34.81 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 127.617 2.367 . . . . 0.0 109.862 165.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 30.6 mt -73.7 125.31 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 O-C-N 121.363 -0.836 . . . . 0.0 109.014 176.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -108.45 -34.24 2.72 Favored Glycine 0 CA--C 1.532 1.133 0 C-N-CA 124.189 0.899 . . . . 0.0 115.27 -170.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -157.59 148.98 21.71 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 118.342 1.071 . . . . 0.0 111.46 -177.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 38.7 t -138.12 122.0 21.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 125.432 1.493 . . . . 0.0 110.04 176.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -109.65 102.84 11.64 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.544 1.138 . . . . 0.0 110.317 177.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -74.92 -18.37 60.42 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.656 -0.652 . . . . 0.0 112.568 -178.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 84.7 mtp180 -65.2 -23.3 67.05 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.946 1.298 . . . . 0.0 113.237 170.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 50.6 m -122.89 -18.03 6.6 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.117 1.367 . . . . 0.0 114.207 -177.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.45 31.19 59.25 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.622 1.106 . . . . 0.0 113.74 -175.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 17.8 t -117.51 135.93 56.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.666 1.186 . . . . 0.0 111.67 -175.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 97.0 mt -117.31 118.8 59.83 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 C-N-CA 127.666 2.386 . . . . 0.0 108.6 -176.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 18.2 m -103.06 131.37 50.1 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.731 1.212 . . . . 0.0 111.219 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 21.7 mt -95.96 153.57 17.69 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.623 1.169 . . . . 0.0 111.928 175.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -135.26 161.64 39.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 C-N-CA 126.836 2.054 . . . . 0.0 111.029 178.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -69.0 132.3 46.45 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.536 -0.728 . . . . 0.0 111.228 175.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -71.77 -23.22 61.55 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.847 1.425 . . . . 0.0 114.847 -164.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -138.05 143.23 40.42 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.763 1.625 . . . . 0.0 110.613 171.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -138.57 34.37 2.24 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.822 1.649 . . . . 0.0 111.829 -169.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 92.4 mtt-85 . . . . . 0 C--O 1.253 1.261 0 C-N-CA 126.397 1.879 . . . . 0.0 112.369 -175.341 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.357 0 CA-C-O 119.474 -0.625 . . . . 0.0 111.666 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -61.05 158.33 34.84 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 124.337 3.358 . . . . 0.0 114.137 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -143.99 13.31 2.14 Favored Glycine 0 CA--C 1.543 1.792 0 C-N-CA 125.11 1.338 . . . . 0.0 114.561 178.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 73.4 p -74.91 -23.76 58.41 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.149 1.38 . . . . 0.0 113.649 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.85 163.26 17.23 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.162 1.785 . . . . 0.0 113.128 175.461 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 16.4 t -151.59 165.86 32.99 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.363 1.865 . . . . 0.0 110.001 175.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -59.45 142.3 52.73 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.27 -0.894 . . . . 0.0 112.996 177.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.17 178.38 8.44 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.138 1.375 . . . . 0.0 113.051 177.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.2 133.16 53.61 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.739 1.615 . . . . 0.0 110.806 164.027 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.6 t -100.55 144.26 12.87 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 124.907 1.283 . . . . 0.0 110.508 -179.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.8 p -133.35 142.79 40.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 125.172 1.389 . . . . 0.0 111.719 170.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 pp -149.5 158.4 44.14 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.435 1.494 . . . . 0.0 112.682 -178.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.8 m -111.05 130.81 55.48 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.174 1.39 . . . . 0.0 110.33 171.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -80.62 163.81 23.35 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.306 1.442 . . . . 0.0 111.993 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.36 -21.12 65.07 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.978 0.911 . . . . 0.0 112.92 167.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -69.66 -10.78 59.62 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.505 1.522 . . . . 0.0 113.574 171.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.18 -9.64 53.01 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 125.4 1.476 . . . . 0.0 114.718 -171.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.89 169.69 54.76 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.871 1.224 . . . . 0.0 112.88 170.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 84.4 mtt180 -125.87 152.97 44.83 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.406 1.082 . . . . 0.0 112.797 -178.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.9 t -133.35 140.27 47.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 126.369 1.868 . . . . 0.0 109.809 -176.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -126.78 140.69 52.19 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.777 1.631 . . . . 0.0 111.369 176.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.0 mt -136.24 110.73 10.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 124.8 1.24 . . . . 0.0 109.874 -172.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.6 162.5 30.46 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.51 1.052 . . . . 0.0 114.35 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 54.09 42.02 31.77 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.414 1.886 . . . . 0.0 114.009 174.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.6 p -72.87 126.27 33.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 O-C-N 121.231 -0.918 . . . . 0.0 111.092 178.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.0 mt -83.16 -34.8 25.93 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.712 1.205 . . . . 0.0 111.505 173.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 65.2 tt0 -153.35 142.64 21.53 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.663 1.185 . . . . 0.0 112.27 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.9 p -132.22 145.64 34.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 126.104 1.762 . . . . 0.0 110.145 170.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -153.09 147.0 25.33 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.279 1.031 . . . . 0.0 112.722 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.94 112.61 24.3 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.85 1.26 . . . . 0.0 108.96 168.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 72.8 tt0 -153.36 130.99 11.5 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.72 0.808 . . . . 0.0 112.929 -171.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.49 35.85 92.59 Favored Glycine 0 CA--C 1.536 1.36 0 O-C-N 121.186 -0.946 . . . . 0.0 114.529 172.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.81 18.49 77.09 Favored Glycine 0 CA--C 1.537 1.443 0 N-CA-C 115.229 0.851 . . . . 0.0 115.229 -179.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.76 153.71 39.59 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.261 1.424 . . . . 0.0 111.477 178.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 66.9 t -88.68 139.87 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 O-C-N 121.865 -0.522 . . . . 0.0 110.091 160.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.3 mtt-85 -131.39 142.29 50.02 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 125.925 1.69 . . . . 0.0 109.266 -173.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.2 m -131.96 150.7 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 125.065 1.346 . . . . 0.0 111.997 -175.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 57.4 m -127.3 124.82 39.65 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.881 1.672 . . . . 0.0 109.541 170.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 40.5 p -98.14 166.57 11.35 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.512 1.125 . . . . 0.0 113.413 -176.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.3 tp -48.93 -31.06 6.71 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.968 2.107 . . . . 0.0 113.706 173.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -84.85 6.96 22.58 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.478 1.511 . . . . 0.0 113.893 -177.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 61.65 11.15 3.75 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.927 2.091 . . . . 0.0 114.606 -169.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -80.03 147.35 31.54 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.111 0.964 . . . . 0.0 111.408 172.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -130.12 148.2 51.94 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.205 1.402 . . . . 0.0 112.078 -176.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -140.99 158.84 43.37 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.285 1.434 . . . . 0.0 111.51 177.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.42 145.92 34.31 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.734 1.214 . . . . 0.0 112.37 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -138.72 94.88 10.11 Favored Pre-proline 0 CA--C 1.542 0.66 0 C-N-CA 126.388 1.875 . . . . 0.0 110.638 -168.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -60.9 148.51 92.23 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 123.666 2.911 . . . . 0.0 114.748 -178.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.2 1.01 87.61 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 124.986 1.279 . . . . 0.0 114.988 176.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 52.6 mt -97.28 162.69 13.23 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 118.985 1.393 . . . . 0.0 114.05 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.98 161.95 36.36 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 127.282 2.233 . . . . 0.0 110.74 162.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 41.5 mt -73.67 120.69 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 O-C-N 121.2 -0.938 . . . . 0.0 109.462 175.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.76 -48.11 2.0 Favored Glycine 0 CA--C 1.529 0.912 0 C-N-CA 124.115 0.864 . . . . 0.0 113.931 -173.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 75.9 ttt-85 -147.54 146.62 29.51 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.845 1.258 . . . . 0.0 112.186 -176.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 50.4 t -133.73 123.06 44.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 126.652 1.981 . . . . 0.0 108.384 177.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -124.58 94.84 4.32 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.238 1.415 . . . . 0.0 110.585 -170.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -74.76 -8.68 57.17 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.38 1.472 . . . . 0.0 113.241 -171.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 58.2 mtt85 -64.32 -23.91 67.46 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.527 1.131 . . . . 0.0 112.789 173.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.3 t -137.28 -21.55 1.18 Allowed 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 126.204 1.802 . . . . 0.0 113.507 178.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 85.44 36.78 10.31 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 120.956 -1.09 . . . . 0.0 113.081 -172.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.2 t -89.81 137.79 20.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 CA-C-N 118.055 0.927 . . . . 0.0 109.98 173.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 66.3 mt -124.0 129.94 74.04 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 C-N-CA 125.649 1.58 . . . . 0.0 108.809 172.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.8 m -121.77 128.17 51.44 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.649 1.18 . . . . 0.0 110.904 -177.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.8 mt -94.67 153.95 17.57 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.641 0.776 . . . . 0.0 112.422 178.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.6 pt -123.38 163.7 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 127.294 2.238 . . . . 0.0 109.929 176.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 -68.54 135.6 51.8 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.367 -0.833 . . . . 0.0 109.302 159.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -69.34 -23.54 63.79 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 121.397 -0.815 . . . . 0.0 112.792 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -144.0 151.18 39.38 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.827 2.051 . . . . 0.0 110.312 171.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -125.42 9.7 7.87 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 124.768 1.227 . . . . 0.0 113.641 -178.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 . . . . . 0 C--O 1.253 1.241 0 C-N-CA 125.409 1.484 . . . . 0.0 112.404 174.888 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.633 0 CA-C-O 119.752 -0.471 . . . . 0.0 112.085 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -60.86 157.18 39.47 Favored 'Trans proline' 0 CA--C 1.537 0.665 0 C-N-CA 124.145 3.23 . . . . 0.0 114.444 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -74.58 -174.48 32.55 Favored Glycine 0 CA--C 1.541 1.68 0 C-N-CA 124.615 1.102 . . . . 0.0 113.684 172.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 24.1 t -146.1 140.06 26.45 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.325 1.05 . . . . 0.0 112.277 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ptp -160.99 170.79 19.87 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 127.407 2.283 . . . . 0.0 109.778 178.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 50.7 m 61.16 21.17 11.63 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 116.022 1.86 . . . . 0.0 116.022 174.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -49.63 -48.56 49.1 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 126.189 1.795 . . . . 0.0 112.598 -176.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -160.24 171.03 19.92 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.864 1.665 . . . . 0.0 110.45 170.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 58.8 pttt -134.63 153.76 51.82 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.236 1.414 . . . . 0.0 111.941 168.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 75.5 t -99.15 146.48 8.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 125.393 1.477 . . . . 0.0 110.254 172.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 9.4 p -137.91 140.04 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 C-N-CA 125.36 1.464 . . . . 0.0 111.194 171.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -148.42 157.63 43.6 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.402 1.481 . . . . 0.0 112.442 -176.111 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 14.7 m -112.45 130.93 55.82 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.052 1.341 . . . . 0.0 110.505 173.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -80.87 163.66 23.23 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.235 1.414 . . . . 0.0 112.774 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.92 -20.56 65.31 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 123.597 0.759 . . . . 0.0 112.841 166.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -69.46 -11.62 60.97 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 125.069 1.348 . . . . 0.0 113.92 171.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.62 -9.9 57.62 Favored Glycine 0 CA--C 1.54 1.632 0 C-N-CA 125.507 1.527 . . . . 0.0 114.843 -171.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.02 171.12 55.12 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.991 1.282 . . . . 0.0 113.016 171.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -125.05 152.02 44.84 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.771 1.229 . . . . 0.0 112.917 -178.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 84.3 t -134.99 145.5 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 126.718 2.007 . . . . 0.0 109.801 -176.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -133.94 149.14 51.26 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.429 1.492 . . . . 0.0 111.95 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -131.37 113.98 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 125.543 1.537 . . . . 0.0 109.237 177.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.9 163.81 33.64 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.426 1.012 . . . . 0.0 114.635 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 53.25 44.98 29.45 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.929 1.692 . . . . 0.0 113.876 175.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 28.5 m -75.24 138.29 21.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 O-C-N 120.673 -1.267 . . . . 0.0 111.827 -178.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 97.0 mt -92.06 -29.88 16.32 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.138 1.375 . . . . 0.0 111.967 170.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 61.7 tt0 -156.14 146.45 21.57 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 124.049 0.94 . . . . 0.0 112.433 -177.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 19.5 t -142.09 135.94 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 125.979 1.712 . . . . 0.0 108.549 173.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -145.99 144.82 30.35 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.146 0.979 . . . . 0.0 112.914 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.16 119.2 30.29 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.135 1.374 . . . . 0.0 108.776 168.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -155.7 128.05 7.73 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.856 0.862 . . . . 0.0 111.651 -166.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.88 26.04 69.75 Favored Glycine 0 CA--C 1.538 1.53 0 N-CA-C 116.074 1.19 . . . . 0.0 116.074 173.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.33 19.45 74.23 Favored Glycine 0 CA--C 1.54 1.608 0 CA-C-N 118.079 0.94 . . . . 0.0 114.172 -173.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.71 170.63 15.73 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.279 1.831 . . . . 0.0 110.724 178.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 75.2 t -104.18 140.16 23.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 O-C-N 121.649 -0.657 . . . . 0.0 110.436 160.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -128.14 141.01 51.61 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.66 1.984 . . . . 0.0 109.801 177.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -150.67 146.12 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.825 0.85 . . . . 0.0 112.41 -168.629 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 30.8 m -126.87 138.92 53.39 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.476 1.91 . . . . 0.0 111.143 -175.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 26.4 p -104.98 167.25 9.83 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 -177.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 54.5 tp -51.15 -32.31 22.67 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 127.772 2.429 . . . . 0.0 113.396 171.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -87.31 8.49 24.06 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.969 1.708 . . . . 0.0 113.112 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 26.8 t0 61.33 24.62 14.7 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 127.022 2.129 . . . . 0.0 114.1 -176.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -85.62 150.97 24.26 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.008 0.923 . . . . 0.0 110.682 169.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -121.44 144.7 48.54 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.45 1.5 . . . . 0.0 111.862 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -134.54 152.73 51.98 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.76 1.624 . . . . 0.0 110.808 178.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.4 142.54 30.4 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.791 1.236 . . . . 0.0 112.077 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -139.96 90.89 10.54 Favored Pre-proline 0 CA--C 1.543 0.693 0 C-N-CA 125.228 1.411 . . . . 0.0 110.794 -171.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -60.94 144.85 99.66 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.523 2.815 . . . . 0.0 113.28 178.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.34 5.2 90.18 Favored Glycine 0 CA--C 1.533 1.192 0 CA-C-O 118.986 -0.897 . . . . 0.0 114.888 178.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 36.7 mt -104.89 163.42 12.53 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 119.152 1.476 . . . . 0.0 113.334 176.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.19 162.33 35.88 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 127.779 2.432 . . . . 0.0 109.535 164.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 53.6 mt -75.09 121.89 27.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 O-C-N 121.03 -1.043 . . . . 0.0 108.956 176.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -98.13 -38.04 4.18 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 124.45 1.024 . . . . 0.0 114.358 -175.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 75.2 ttt-85 -157.64 144.57 18.14 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.752 1.221 . . . . 0.0 111.576 -174.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 14.6 t -125.97 128.23 71.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 123.461 0.704 . . . . 0.0 109.706 166.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -115.3 95.36 5.14 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.383 1.873 . . . . 0.0 110.109 -177.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -75.79 -11.28 59.95 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.941 1.296 . . . . 0.0 112.916 -172.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 44.8 mtt85 -65.26 -33.36 75.81 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.775 1.23 . . . . 0.0 112.078 172.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 49.9 m -126.26 -4.88 6.7 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.698 1.599 . . . . 0.0 114.05 -175.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.44 41.21 67.46 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 124.935 1.255 . . . . 0.0 113.723 -178.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 55.2 t -111.2 126.74 68.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 CA-C-N 118.305 1.053 . . . . 0.0 111.809 -177.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 79.8 mt -107.68 111.54 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 C-N-CA 126.644 1.978 . . . . 0.0 108.59 175.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 36.0 m -100.42 125.49 46.71 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.182 0.993 . . . . 0.0 111.307 -178.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 18.1 mt -95.3 152.36 18.44 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.219 1.008 . . . . 0.0 111.475 176.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -133.55 159.7 42.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 126.987 2.115 . . . . 0.0 110.401 177.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -73.69 137.12 43.87 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 121.392 -0.818 . . . . 0.0 111.622 175.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -73.88 -19.42 60.72 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.955 0.902 . . . . 0.0 112.868 178.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -93.14 149.96 20.85 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.905 1.682 . . . . 0.0 112.331 170.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -122.26 39.95 3.77 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 125.781 1.633 . . . . 0.0 111.089 173.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 35.7 ptt-85 . . . . . 0 C--O 1.253 1.24 0 C-N-CA 126.538 1.935 . . . . 0.0 113.854 179.92 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.67 0 CA-C-O 119.547 -0.585 . . . . 0.0 112.109 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -67.31 149.44 81.08 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 C-N-CA 123.84 3.027 . . . . 0.0 112.444 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -72.56 -27.84 68.67 Favored Glycine 0 CA--C 1.536 1.376 0 O-C-N 121.78 -0.575 . . . . 0.0 113.725 177.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 34.5 t -159.72 145.51 15.78 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.772 1.629 . . . . 0.0 110.961 174.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ptm -156.02 163.35 39.81 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.634 1.573 . . . . 0.0 111.456 176.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 29.4 p -143.77 165.24 28.22 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.612 1.565 . . . . 0.0 110.864 172.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 62.8 mtm -137.53 159.84 40.82 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.125 1.37 . . . . 0.0 112.228 -172.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.6 177.42 6.55 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.931 1.293 . . . . 0.0 113.324 178.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -136.5 130.55 32.68 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 126.196 1.798 . . . . 0.0 110.4 165.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 45.4 t -100.43 142.01 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 124.295 1.038 . . . . 0.0 110.663 -173.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.8 p -137.77 143.66 33.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 125.543 1.537 . . . . 0.0 111.583 173.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -151.13 160.97 43.56 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.74 1.616 . . . . 0.0 112.177 177.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.8 m -114.94 128.22 56.15 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.327 1.451 . . . . 0.0 109.71 171.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -79.47 161.73 25.89 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.585 1.554 . . . . 0.0 112.776 -178.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.09 -21.02 64.64 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 123.929 0.892 . . . . 0.0 112.821 166.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -68.57 -11.23 59.7 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.802 1.241 . . . . 0.0 113.736 170.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.55 -9.32 59.17 Favored Glycine 0 CA--C 1.538 1.493 0 C-N-CA 125.877 1.703 . . . . 0.0 114.398 -172.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.39 170.52 54.87 Favored Glycine 0 CA--C 1.534 1.219 0 CA-C-N 118.661 1.23 . . . . 0.0 113.597 172.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -124.97 154.96 40.39 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.995 1.318 . . . . 0.0 113.106 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 42.1 t -131.2 142.2 44.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 126.634 1.974 . . . . 0.0 109.373 -176.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -136.87 145.52 44.48 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.821 1.248 . . . . 0.0 111.551 176.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.6 mt -136.37 124.4 35.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 124.732 1.213 . . . . 0.0 109.615 -177.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -95.2 162.02 23.58 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 124.627 1.108 . . . . 0.0 113.806 175.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 51.02 46.45 26.4 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.574 1.55 . . . . 0.0 112.99 -179.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 74.5 t -75.2 120.75 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 124.088 0.955 . . . . 0.0 109.785 177.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.9 tp -98.17 -23.36 15.73 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.355 1.462 . . . . 0.0 112.28 -175.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -160.95 150.53 17.11 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.862 0.865 . . . . 0.0 112.007 173.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 30.6 m -132.6 150.36 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 C-N-CA 124.743 1.217 . . . . 0.0 111.889 165.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -140.51 138.98 34.99 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.595 1.558 . . . . 0.0 111.627 176.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -88.86 139.52 30.38 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.373 1.069 . . . . 0.0 110.758 166.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -120.07 173.42 7.1 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 127.018 2.127 . . . . 0.0 110.848 171.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -70.36 46.18 0.65 Allowed Glycine 0 CA--C 1.541 1.669 0 C-N-CA 126.547 2.022 . . . . 0.0 115.38 -179.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 152.21 -1.8 0.32 Allowed Glycine 0 CA--C 1.542 1.757 0 C-N-CA 126.173 1.844 . . . . 0.0 115.68 -178.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -157.16 162.78 39.35 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.748 1.774 . . . . 0.0 113.561 -174.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.6 t -105.12 144.01 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 123.905 0.882 . . . . 0.0 110.54 161.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -118.22 148.73 42.1 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 126.281 1.832 . . . . 0.0 111.097 170.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.9 t -132.55 140.9 46.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 126.439 1.896 . . . . 0.0 109.236 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.3 m -121.8 124.68 44.75 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.319 1.447 . . . . 0.0 109.798 171.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 48.8 p -87.75 168.39 13.0 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.0 0.92 . . . . 0.0 113.164 176.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.8 tp -48.47 -33.88 10.15 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.958 1.703 . . . . 0.0 113.734 167.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -83.96 6.87 20.23 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.745 1.618 . . . . 0.0 113.767 -174.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 61.18 11.24 3.39 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 127.076 2.151 . . . . 0.0 114.57 -170.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -77.13 131.97 38.59 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.072 -1.018 . . . . 0.0 110.577 170.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -98.8 149.5 22.82 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.137 0.975 . . . . 0.0 112.836 173.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -129.88 151.85 49.99 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.944 1.698 . . . . 0.0 110.226 170.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -140.67 143.22 34.99 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.037 0.935 . . . . 0.0 112.489 -177.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -138.61 91.58 12.08 Favored Pre-proline 0 CA--C 1.539 0.551 0 C-N-CA 125.293 1.437 . . . . 0.0 110.749 -173.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -67.68 147.5 75.99 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 123.006 2.471 . . . . 0.0 111.935 177.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.01 2.64 90.67 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 125.292 1.425 . . . . 0.0 114.601 -178.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 43.7 mt -108.82 165.16 11.77 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 118.808 1.304 . . . . 0.0 113.311 177.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.0 160.29 39.74 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 127.756 2.423 . . . . 0.0 109.889 163.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 34.2 mt -68.22 120.75 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 O-C-N 120.96 -1.087 . . . . 0.0 108.856 174.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -107.92 -39.65 1.82 Allowed Glycine 0 CA--C 1.531 1.04 0 C-N-CA 124.268 0.937 . . . . 0.0 115.073 -167.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 49.6 ttt180 -152.2 148.32 27.45 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 118.449 1.125 . . . . 0.0 111.586 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.7 t -133.29 129.41 56.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 125.269 1.428 . . . . 0.0 109.713 174.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -113.93 106.45 14.45 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.17 1.388 . . . . 0.0 110.903 172.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -79.19 -8.65 59.18 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.229 -0.92 . . . . 0.0 112.603 178.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.7 mtm180 -67.8 -23.16 65.17 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.298 1.839 . . . . 0.0 113.339 169.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 88.9 p -141.91 -10.05 0.9 Allowed 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 -171.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.27 6.32 88.85 Favored Glycine 0 CA--C 1.538 1.527 0 C-N-CA 125.493 1.521 . . . . 0.0 114.757 -177.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.9 t -74.02 133.08 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 CA-C-N 119.15 1.475 . . . . 0.0 111.686 -178.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 77.1 mt -116.02 125.71 73.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 126.855 2.062 . . . . 0.0 107.457 167.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 36.2 t -118.79 131.32 56.1 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.115 1.366 . . . . 0.0 110.776 -178.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.8 mt -101.59 148.11 25.62 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.448 1.099 . . . . 0.0 111.56 -178.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -128.58 157.74 41.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 125.965 1.706 . . . . 0.0 111.226 -178.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -71.49 125.48 27.15 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.573 -0.704 . . . . 0.0 112.065 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.38 -24.77 36.8 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.403 0.681 . . . . 0.0 112.629 173.195 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -84.02 134.69 34.62 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.066 1.346 . . . . 0.0 111.071 170.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 63.4 m-80 -138.72 29.54 2.35 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.285 1.434 . . . . 0.0 112.51 -174.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.286 0 C-N-CA 126.729 2.012 . . . . 0.0 112.925 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.448 0 CA-C-O 119.937 -0.368 . . . . 0.0 112.319 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -75.53 -10.56 20.41 Favored 'Trans proline' 0 CA--C 1.545 1.074 0 C-N-CA 124.354 3.369 . . . . 0.0 114.583 -176.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -68.98 165.9 48.1 Favored Glycine 0 CA--C 1.539 1.54 0 O-C-N 121.254 -0.903 . . . . 0.0 113.997 175.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 23.8 m 59.3 20.34 8.52 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 115.476 1.658 . . . . 0.0 115.476 -177.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ptm -151.22 170.79 18.6 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.788 2.035 . . . . 0.0 110.907 174.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 28.7 p -141.87 162.22 36.03 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.546 1.138 . . . . 0.0 113.061 -176.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 74.5 mtm -71.17 151.26 44.56 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.707 1.203 . . . . 0.0 112.759 177.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -82.66 173.66 11.72 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.25 1.02 . . . . 0.0 112.089 171.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -121.98 144.54 48.82 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.853 1.261 . . . . 0.0 110.922 164.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 73.2 t -99.84 144.05 12.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 125.117 1.367 . . . . 0.0 110.016 178.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 9.7 p -135.69 140.51 44.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 125.432 1.493 . . . . 0.0 111.496 173.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 pp -149.53 157.23 43.09 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.613 1.565 . . . . 0.0 112.709 -177.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 18.1 m -111.69 133.01 54.22 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.048 1.339 . . . . 0.0 111.16 177.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -83.37 161.7 21.28 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.454 1.502 . . . . 0.0 112.4 178.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.31 -21.66 65.43 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 169.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -70.33 -10.39 58.87 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.204 1.402 . . . . 0.0 113.917 172.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.14 -8.2 68.22 Favored Glycine 0 CA--C 1.539 1.587 0 C-N-CA 125.411 1.481 . . . . 0.0 114.44 -173.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.68 170.54 55.01 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 124.836 1.207 . . . . 0.0 112.927 170.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -126.84 153.56 45.5 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.633 1.173 . . . . 0.0 113.054 -179.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 68.9 t -132.88 144.17 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 126.376 1.871 . . . . 0.0 109.358 -176.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -131.76 149.11 52.57 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.098 1.359 . . . . 0.0 111.788 177.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -129.37 119.79 49.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 124.993 1.317 . . . . 0.0 109.142 173.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -94.74 170.82 29.76 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 124.847 1.213 . . . . 0.0 113.192 173.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 53.97 42.95 31.48 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.161 1.385 . . . . 0.0 113.46 178.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 70.1 t -80.81 121.61 34.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 125.436 1.495 . . . . 0.0 111.845 -176.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 89.9 mt -83.98 -32.5 24.95 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.807 1.243 . . . . 0.0 113.023 172.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -157.01 149.38 23.16 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.764 0.711 . . . . 0.0 112.294 -172.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 39.9 t -132.96 141.57 44.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 125.096 1.359 . . . . 0.0 109.716 170.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 41.3 mtt180 -134.22 136.13 43.46 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.801 1.64 . . . . 0.0 109.875 -179.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.75 136.8 52.67 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.479 1.112 . . . . 0.0 111.288 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -146.31 155.08 42.38 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.091 1.757 . . . . 0.0 109.651 175.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.44 -25.07 62.42 Favored Glycine 0 CA--C 1.535 1.318 0 O-C-N 121.45 -0.781 . . . . 0.0 114.558 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.84 -52.85 6.14 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 124.43 1.014 . . . . 0.0 113.5 172.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -160.78 147.98 15.54 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.589 1.156 . . . . 0.0 112.983 -173.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 70.0 t -83.05 137.69 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 123.462 0.705 . . . . 0.0 109.23 163.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -113.58 151.62 31.42 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.035 1.334 . . . . 0.0 111.064 173.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 41.2 t -136.51 141.33 41.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 125.318 1.447 . . . . 0.0 109.872 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 39.2 m -117.74 139.08 51.54 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.709 1.204 . . . . 0.0 110.634 177.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 25.4 p -128.84 155.06 45.81 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.182 1.393 . . . . 0.0 112.408 -178.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.41 -4.44 3.91 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 116.538 2.051 . . . . 0.0 116.538 -171.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -75.01 4.86 5.9 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.569 1.148 . . . . 0.0 113.289 167.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 59.43 25.47 14.22 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 126.628 1.971 . . . . 0.0 113.245 -164.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -90.74 154.79 19.28 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 124.509 1.124 . . . . 0.0 111.891 174.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -132.62 134.52 44.99 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 124.929 1.292 . . . . 0.0 110.903 174.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -114.07 154.05 28.39 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 126.638 1.975 . . . . 0.0 109.702 -176.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.96 137.91 26.47 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.538 0.735 . . . . 0.0 112.348 179.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -137.05 97.23 11.01 Favored Pre-proline 0 CA--C 1.546 0.801 0 C-N-CA 125.37 1.468 . . . . 0.0 111.034 -170.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_exo -61.58 148.89 91.94 Favored 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 123.966 3.11 . . . . 0.0 114.815 -178.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.88 19.69 78.36 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 124.337 0.97 . . . . 0.0 115.345 172.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 69.0 mt -112.45 166.73 11.04 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.347 1.459 . . . . 0.0 113.015 177.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -146.77 160.46 42.23 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 127.262 2.225 . . . . 0.0 109.938 164.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 50.6 mt -71.83 120.42 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 O-C-N 121.183 -0.948 . . . . 0.0 109.126 175.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.32 -41.75 6.44 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 124.726 1.155 . . . . 0.0 113.663 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 39.2 ptt85 -161.15 155.98 23.7 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.448 1.499 . . . . 0.0 112.708 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 24.9 t -132.91 114.79 22.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 C-N-CA 124.854 1.261 . . . . 0.0 108.763 171.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -111.17 89.0 2.92 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.479 1.112 . . . . 0.0 110.327 -167.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -67.76 -14.57 63.06 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 121.087 -1.008 . . . . 0.0 112.65 -176.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 53.9 mtm180 -60.48 -22.44 63.51 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.811 1.645 . . . . 0.0 113.743 166.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 21.3 t -132.86 -20.85 2.2 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.364 1.466 . . . . 0.0 113.905 -174.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.82 25.98 51.27 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 124.82 1.2 . . . . 0.0 113.714 -176.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 94.0 t -106.17 128.98 60.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.984 1.314 . . . . 0.0 111.843 -176.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 97.1 mt -102.19 117.82 48.12 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 C-N-CA 126.367 1.867 . . . . 0.0 107.95 165.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 32.7 t -106.38 126.32 52.1 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.423 0.689 . . . . 0.0 110.777 -178.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 32.9 mt -99.77 145.52 27.6 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.396 1.078 . . . . 0.0 111.891 175.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -133.76 156.68 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 126.295 1.838 . . . . 0.0 110.732 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 19.6 mp0 -70.86 129.8 40.01 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 121.363 -0.835 . . . . 0.0 112.283 -179.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -84.13 -13.42 52.97 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -132.79 142.74 49.15 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.919 1.688 . . . . 0.0 111.254 167.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -90.29 4.79 49.66 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.452 1.501 . . . . 0.0 113.991 -178.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 . . . . . 0 C--O 1.255 1.392 0 C-N-CA 127.177 2.191 . . . . 0.0 113.296 -174.944 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.716 0 CA-C-O 119.848 -0.418 . . . . 0.0 112.133 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -68.08 -29.45 33.47 Favored 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 123.58 2.854 . . . . 0.0 113.298 -178.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -74.14 -13.01 81.48 Favored Glycine 0 CA--C 1.539 1.575 0 C-N-CA 124.635 1.112 . . . . 0.0 114.612 174.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 14.2 m -76.22 -1.67 27.57 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.202 1.401 . . . . 0.0 114.072 -178.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 ppp? -139.97 166.73 23.85 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.103 1.761 . . . . 0.0 111.625 177.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 39.0 t -153.16 154.43 34.75 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.265 1.426 . . . . 0.0 111.149 176.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 5.2 mpp? -63.19 152.93 36.1 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.654 1.182 . . . . 0.0 113.301 173.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.74 177.64 8.78 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.526 1.53 . . . . 0.0 112.292 171.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -124.79 149.42 47.41 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.662 1.185 . . . . 0.0 111.466 161.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 53.8 t -100.15 144.34 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 125.333 1.453 . . . . 0.0 110.24 174.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.5 p -135.74 140.71 43.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 125.622 1.569 . . . . 0.0 111.764 173.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -145.27 155.42 43.22 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.753 1.621 . . . . 0.0 111.879 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.8 m -113.6 133.89 55.02 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.704 1.201 . . . . 0.0 111.316 -178.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -88.12 161.99 17.0 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.658 1.983 . . . . 0.0 112.684 -178.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.94 -25.2 68.03 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.057 1.343 . . . . 0.0 113.82 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 54.1 p-10 -82.09 1.07 37.68 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 124.832 1.253 . . . . 0.0 113.948 173.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.57 -0.19 88.19 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 125.495 1.521 . . . . 0.0 114.793 -178.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.88 170.37 54.19 Favored Glycine 0 CA--C 1.532 1.13 0 CA-C-N 118.762 1.281 . . . . 0.0 112.745 170.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -129.37 152.71 48.63 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.738 1.215 . . . . 0.0 112.962 177.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 87.6 t -129.54 140.49 48.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 126.642 1.977 . . . . 0.0 109.252 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -129.88 145.33 51.6 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.021 1.328 . . . . 0.0 111.25 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -126.32 109.94 22.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 125.321 1.448 . . . . 0.0 107.965 175.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.27 163.3 41.04 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 124.251 0.929 . . . . 0.0 113.787 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 52.98 48.18 22.99 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.954 1.702 . . . . 0.0 113.932 172.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.3 t -79.77 126.31 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 126.415 1.886 . . . . 0.0 112.241 -178.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 86.2 mt -80.73 -36.65 31.8 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.716 1.206 . . . . 0.0 112.3 172.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -158.6 150.03 20.86 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -175.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.5 t -134.11 142.17 41.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 126.24 1.816 . . . . 0.0 109.827 172.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -138.38 147.28 43.24 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.569 1.548 . . . . 0.0 111.493 174.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -117.52 120.74 39.01 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.392 1.477 . . . . 0.0 109.998 176.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -159.47 132.56 6.96 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.262 1.025 . . . . 0.0 112.253 -168.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.12 26.41 71.48 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 124.244 0.926 . . . . 0.0 115.404 172.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.98 26.65 64.01 Favored Glycine 0 CA--C 1.541 1.706 0 CA-C-N 118.313 1.056 . . . . 0.0 113.653 -174.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.59 159.19 42.89 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.913 1.685 . . . . 0.0 111.466 179.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 72.3 t -112.32 142.67 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 123.71 0.804 . . . . 0.0 110.904 171.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -125.58 144.3 50.63 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.351 1.86 . . . . 0.0 109.793 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.7 t -137.3 145.34 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 125.534 1.534 . . . . 0.0 111.058 -173.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 86.6 m -124.53 128.77 49.44 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.781 1.233 . . . . 0.0 111.307 171.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 37.8 p -94.43 170.69 9.31 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.921 1.288 . . . . 0.0 112.826 177.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -58.31 -17.98 23.72 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 175.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -80.06 -0.96 37.82 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.684 1.194 . . . . 0.0 113.329 175.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 61.93 11.7 4.36 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.472 1.909 . . . . 0.0 113.888 -162.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -75.01 130.23 38.99 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.373 1.069 . . . . 0.0 111.277 174.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -96.87 148.43 22.94 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.425 1.09 . . . . 0.0 112.542 178.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -131.79 154.95 48.58 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.945 1.698 . . . . 0.0 110.453 171.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.81 146.22 35.63 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.05 0.94 . . . . 0.0 112.341 176.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -138.88 87.98 14.0 Favored Pre-proline 0 CA--C 1.545 0.755 0 C-N-CA 125.982 1.713 . . . . 0.0 110.323 -170.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -69.4 147.37 65.06 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 123.152 2.568 . . . . 0.0 112.369 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.87 3.39 90.51 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 125.515 1.531 . . . . 0.0 114.853 -177.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 35.3 mt -108.04 162.77 13.73 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 118.902 1.351 . . . . 0.0 113.413 178.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.44 161.05 38.86 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 127.875 2.47 . . . . 0.0 109.929 166.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 39.2 mt -72.28 122.25 24.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 O-C-N 120.976 -1.077 . . . . 0.0 109.425 175.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.1 -47.7 3.52 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 124.562 1.077 . . . . 0.0 113.302 -178.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.0 ptt85 -155.92 163.3 39.93 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.558 1.143 . . . . 0.0 112.531 173.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.2 t -126.66 128.38 71.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 123.965 0.906 . . . . 0.0 109.211 166.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -114.22 88.44 2.86 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.655 1.582 . . . . 0.0 110.445 -176.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -69.5 -10.71 59.25 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.394 1.478 . . . . 0.0 112.558 -173.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 62.2 mtt85 -61.02 -27.47 68.35 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.592 1.157 . . . . 0.0 112.222 169.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.7 m -135.16 0.66 2.87 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.585 1.554 . . . . 0.0 113.646 -176.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.96 32.65 73.59 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 124.717 1.151 . . . . 0.0 114.37 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.8 t -102.46 122.9 55.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 118.334 1.067 . . . . 0.0 111.788 -175.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.5 mt -97.67 112.54 29.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 125.751 1.62 . . . . 0.0 108.6 169.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.7 t -100.74 124.53 46.5 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 124.339 1.056 . . . . 0.0 111.859 -177.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.8 mt -98.72 149.8 22.46 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.81 1.244 . . . . 0.0 111.997 178.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -134.87 161.0 40.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 126.943 2.097 . . . . 0.0 110.528 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -70.83 133.01 46.14 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.205 -0.934 . . . . 0.0 112.101 176.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -74.16 -15.32 61.03 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.831 0.852 . . . . 0.0 113.179 -178.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -85.21 3.07 41.04 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.567 1.321 . . . . 0.0 114.567 165.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.0 m120 48.65 39.75 14.17 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 128.532 2.733 . . . . 0.0 113.668 176.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 75.9 mtt85 . . . . . 0 C--O 1.25 1.08 0 C-N-CA 125.039 1.336 . . . . 0.0 113.133 -178.225 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.665 0 N-CA-C 111.822 -0.511 . . . . 0.0 111.822 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -62.18 158.14 41.22 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 124.124 3.216 . . . . 0.0 114.107 -179.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -71.19 166.36 52.63 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 124.367 0.984 . . . . 0.0 114.125 174.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 11.9 t -155.18 160.77 41.15 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.452 1.101 . . . . 0.0 112.799 -177.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.0 ptp -70.7 166.43 20.84 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.546 1.139 . . . . 0.0 113.04 174.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 28.3 p -145.36 165.81 27.4 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.323 1.449 . . . . 0.0 111.843 178.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 5.5 mpp? -67.66 144.88 55.3 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.489 0.716 . . . . 0.0 112.057 175.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.44 -177.21 6.08 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.839 1.255 . . . . 0.0 111.982 171.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -128.6 144.29 51.12 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.541 1.536 . . . . 0.0 111.105 164.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 25.5 t -100.35 142.45 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.736 1.214 . . . . 0.0 110.363 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 10.5 p -133.79 143.53 38.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 C-N-CA 125.903 1.681 . . . . 0.0 110.797 170.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp -138.02 151.19 47.64 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.621 1.568 . . . . 0.0 110.942 176.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 15.5 m -111.16 128.65 55.97 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.073 0.949 . . . . 0.0 110.795 176.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 36.5 mtmt -79.84 164.83 23.3 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 126.292 1.837 . . . . 0.0 112.726 179.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.12 -25.73 68.22 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.431 1.093 . . . . 0.0 113.815 174.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 44.3 p30 -79.94 -0.47 35.25 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.72 1.208 . . . . 0.0 113.78 175.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.13 -5.46 84.12 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 126.005 1.764 . . . . 0.0 115.642 -179.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.54 170.78 55.11 Favored Glycine 0 CA--C 1.538 1.505 0 CA-C-N 118.976 1.388 . . . . 0.0 113.308 171.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -128.59 154.26 46.38 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.913 1.285 . . . . 0.0 113.11 -179.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 46.1 t -133.92 143.49 38.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 126.276 1.831 . . . . 0.0 109.466 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 17.5 mp0 -130.27 150.86 51.32 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.018 0.927 . . . . 0.0 112.838 -175.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -133.01 107.31 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 125.56 1.544 . . . . 0.0 108.612 173.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.74 156.87 39.06 Favored Glycine 0 CA--C 1.531 1.036 0 C-N-CA 124.113 0.863 . . . . 0.0 114.03 -179.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 52.9 46.19 27.26 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 126.226 1.811 . . . . 0.0 113.586 174.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 11.1 p -67.93 130.39 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 124.145 0.978 . . . . 0.0 111.325 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 86.6 mt -86.88 -33.3 19.81 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.395 1.478 . . . . 0.0 111.866 172.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 70.8 tt0 -155.37 143.16 19.82 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.198 0.999 . . . . 0.0 112.157 178.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 7.6 p -130.83 138.43 53.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.655 1.582 . . . . 0.0 109.412 171.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 42.9 mtt85 -135.8 128.76 31.35 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.98 1.312 . . . . 0.0 110.578 -170.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -105.76 107.82 19.01 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.083 1.353 . . . . 0.0 109.328 172.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -158.32 146.98 18.89 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.16 0.984 . . . . 0.0 111.724 -172.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 64.52 23.92 69.01 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 124.443 1.02 . . . . 0.0 115.406 174.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.9 19.85 76.96 Favored Glycine 0 CA--C 1.535 1.307 0 CA-C-N 118.364 1.082 . . . . 0.0 114.239 -173.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.71 167.26 22.56 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.987 1.715 . . . . 0.0 112.541 -177.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 81.3 t -114.46 137.47 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 123.43 0.692 . . . . 0.0 111.555 164.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -114.61 151.88 32.77 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.564 1.546 . . . . 0.0 111.243 169.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 28.4 m -136.3 149.42 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 125.598 1.559 . . . . 0.0 111.102 176.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 28.0 m -132.38 135.29 46.04 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 126.033 1.733 . . . . 0.0 110.812 -178.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 23.1 p -120.08 166.38 13.47 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.989 0.916 . . . . 0.0 113.303 -177.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -65.2 -9.01 19.93 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 174.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -84.48 11.2 9.06 Favored 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 124.942 1.297 . . . . 0.0 113.159 172.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 61.07 11.4 3.39 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 127.165 2.186 . . . . 0.0 114.812 -170.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -85.83 148.98 25.56 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.088 1.355 . . . . 0.0 112.03 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -128.53 151.51 49.36 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.266 1.026 . . . . 0.0 112.376 166.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -131.03 157.49 42.88 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.222 1.409 . . . . 0.0 110.633 172.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -136.49 141.69 43.5 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.717 1.207 . . . . 0.0 111.938 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -139.27 90.01 11.96 Favored Pre-proline 0 CA--C 1.544 0.736 0 C-N-CA 125.675 1.59 . . . . 0.0 110.654 -172.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -66.19 146.83 82.66 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 122.945 2.43 . . . . 0.0 112.221 177.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.29 2.33 90.57 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 125.182 1.372 . . . . 0.0 115.428 -177.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 28.8 mt -99.26 163.65 12.46 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.128 1.464 . . . . 0.0 113.635 175.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -144.8 160.08 41.83 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 127.408 2.283 . . . . 0.0 110.587 164.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 29.1 mt -73.42 122.1 25.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 O-C-N 121.239 -0.913 . . . . 0.0 109.249 174.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.3 -36.05 3.97 Favored Glycine 0 CA--C 1.532 1.104 0 C-N-CA 124.4 1.0 . . . . 0.0 114.368 -177.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -153.7 145.05 23.06 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.669 1.588 . . . . 0.0 110.847 -173.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 39.9 t -136.96 105.68 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 125.987 1.715 . . . . 0.0 107.927 174.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -113.37 101.02 8.99 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.322 1.049 . . . . 0.0 110.421 -173.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -75.07 -16.48 60.57 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.196 1.398 . . . . 0.0 112.781 -173.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 25.3 mtt85 -64.81 -40.51 95.34 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 118.931 0.787 . . . . 0.0 111.319 172.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 55.2 m -93.34 -20.15 20.65 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.263 1.425 . . . . 0.0 113.614 175.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.86 31.59 62.06 Favored Glycine 0 CA--C 1.533 1.21 0 C-N-CA 124.391 0.996 . . . . 0.0 113.255 -171.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 94.6 t -114.65 130.99 68.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.561 1.144 . . . . 0.0 112.194 -171.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 14.3 mt -103.93 120.49 54.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 126.414 1.885 . . . . 0.0 108.482 169.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 15.8 m -104.44 121.1 42.72 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.256 1.022 . . . . 0.0 111.149 175.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 25.8 mt -91.05 149.37 21.85 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.29 1.036 . . . . 0.0 111.053 171.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -133.81 157.86 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 126.1 1.76 . . . . 0.0 110.621 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -70.32 130.56 42.3 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.729 -0.607 . . . . 0.0 110.653 173.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -69.23 -33.19 72.91 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -166.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -150.5 150.03 30.74 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.001 1.72 . . . . 0.0 111.842 168.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 -138.69 30.0 2.33 Favored 'General case' 0 CA--C 1.558 1.276 0 C-N-CA 126.788 2.035 . . . . 0.0 110.983 165.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 . . . . . 0 C--O 1.253 1.25 0 C-N-CA 125.378 1.471 . . . . 0.0 113.175 -175.561 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.618 0 CA-C-O 119.736 -0.48 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -60.43 152.93 64.06 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 124.355 3.37 . . . . 0.0 114.354 -179.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -82.1 -11.26 82.69 Favored Glycine 0 CA--C 1.54 1.637 0 C-N-CA 124.321 0.962 . . . . 0.0 115.377 177.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 20.2 m 56.19 25.93 9.73 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 126.002 1.721 . . . . 0.0 114.844 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.6 mtp -69.98 137.12 51.17 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.936 1.294 . . . . 0.0 112.357 179.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 29.9 p -154.47 155.58 35.16 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.203 1.401 . . . . 0.0 112.063 173.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -77.62 -50.3 12.79 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.618 1.167 . . . . 0.0 110.804 174.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -155.27 169.76 23.45 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.39 1.876 . . . . 0.0 110.749 167.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -140.41 129.26 23.22 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.739 1.616 . . . . 0.0 111.412 177.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 20.2 t -99.71 144.54 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 125.338 1.455 . . . . 0.0 110.664 -178.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.8 p -137.2 139.69 43.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 125.263 1.425 . . . . 0.0 111.14 174.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 pp -153.55 162.45 41.25 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.625 1.57 . . . . 0.0 112.125 -177.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.2 m -122.59 126.35 47.53 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.729 1.212 . . . . 0.0 109.821 168.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -71.87 163.42 27.86 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.268 1.427 . . . . 0.0 112.166 179.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.66 -23.8 67.52 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 175.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 43.4 p30 -78.84 0.8 25.69 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 124.903 1.281 . . . . 0.0 113.992 172.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.89 -3.65 85.87 Favored Glycine 0 CA--C 1.542 1.753 0 C-N-CA 126.137 1.827 . . . . 0.0 115.019 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.55 124.76 7.7 Favored Glycine 0 CA--C 1.533 1.179 0 CA-C-N 119.282 1.541 . . . . 0.0 113.135 -179.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.7 mmm-85 -72.98 141.73 47.76 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.923 1.289 . . . . 0.0 111.443 169.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.7 t -141.37 138.81 32.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 125.629 1.572 . . . . 0.0 110.626 -176.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.3 mp0 -128.98 147.34 50.85 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.313 1.445 . . . . 0.0 111.115 174.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 54.0 mt -133.04 118.57 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 125.407 1.483 . . . . 0.0 108.725 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.87 168.12 31.27 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 124.554 1.073 . . . . 0.0 114.228 175.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 54.6 41.62 31.82 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.764 1.626 . . . . 0.0 114.112 174.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 74.8 t -72.83 130.78 35.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 125.511 1.524 . . . . 0.0 112.172 -176.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 97.5 mt -98.21 -35.51 10.34 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.214 1.406 . . . . 0.0 113.276 174.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.2 tt0 -156.92 143.81 18.55 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.125 0.97 . . . . 0.0 111.661 -171.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.3 t -137.45 137.81 45.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 126.17 1.788 . . . . 0.0 109.276 174.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -133.84 146.15 50.36 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.797 1.639 . . . . 0.0 111.712 -179.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -121.8 138.65 54.29 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.33 1.452 . . . . 0.0 110.321 173.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -149.81 120.05 7.3 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.589 0.755 . . . . 0.0 111.049 -177.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.67 -82.35 0.08 OUTLIER Glycine 0 CA--C 1.535 1.325 0 C-N-CA 125.284 1.421 . . . . 0.0 113.439 -178.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -149.42 30.36 1.17 Allowed Glycine 0 CA--C 1.535 1.291 0 C-N-CA 126.535 2.017 . . . . 0.0 113.278 177.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.21 155.09 48.05 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.71 1.604 . . . . 0.0 111.804 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.7 t -121.05 140.01 46.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 C-N-CA 124.812 1.245 . . . . 0.0 111.558 175.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -120.76 147.48 45.26 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.977 2.111 . . . . 0.0 109.339 174.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -149.9 143.49 17.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 123.674 0.79 . . . . 0.0 112.598 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 61.3 m -127.46 145.48 50.82 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 126.326 1.85 . . . . 0.0 111.697 -175.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 43.6 p -125.49 166.35 16.8 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.887 1.275 . . . . 0.0 113.707 -169.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.5 tt -52.53 -30.28 29.62 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.663 1.985 . . . . 0.0 113.955 173.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -74.51 2.2 10.17 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.251 1.42 . . . . 0.0 113.803 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.1 t0 60.79 18.71 8.9 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.4 1.88 . . . . 0.0 113.095 -167.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -88.67 144.16 26.46 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.901 1.281 . . . . 0.0 110.896 174.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -136.25 137.36 40.69 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.103 1.361 . . . . 0.0 111.509 -175.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 61.0 m-70 -129.17 152.11 49.11 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.945 1.698 . . . . 0.0 111.332 -169.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -137.34 141.1 41.82 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.74 1.216 . . . . 0.0 111.951 176.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -140.14 91.99 9.79 Favored Pre-proline 0 CA--C 1.543 0.676 0 C-N-CA 125.496 1.518 . . . . 0.0 110.32 -173.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -68.99 148.94 71.16 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 123.04 2.493 . . . . 0.0 111.901 175.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.06 -2.95 85.79 Favored Glycine 0 CA--C 1.535 1.331 0 C-N-CA 125.43 1.49 . . . . 0.0 114.894 -175.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 40.3 mt -104.67 162.32 13.39 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 118.843 1.321 . . . . 0.0 113.7 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.03 158.07 45.07 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 127.488 2.315 . . . . 0.0 109.915 164.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 48.7 mt -71.95 114.97 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 174.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.54 -50.87 2.64 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 124.333 0.968 . . . . 0.0 113.827 -172.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 65.6 ttt180 -151.3 145.91 25.66 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.801 1.24 . . . . 0.0 112.004 -173.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.8 t -138.47 115.84 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 125.722 1.609 . . . . 0.0 109.33 -178.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -106.43 101.51 10.97 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.31 1.044 . . . . 0.0 110.483 178.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -67.56 -16.4 64.17 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.022 -1.049 . . . . 0.0 112.305 176.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 44.8 mtm105 -63.82 -20.01 65.46 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.731 2.012 . . . . 0.0 114.061 170.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.0 t -141.97 -13.13 0.84 Allowed 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 114.7 1.371 . . . . 0.0 114.7 -175.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.67 15.7 81.36 Favored Glycine 0 CA--C 1.536 1.344 0 O-C-N 120.643 -1.285 . . . . 0.0 113.58 -174.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.1 t -82.5 132.49 31.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 CA-C-N 118.653 1.226 . . . . 0.0 111.083 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 94.7 mt -120.52 109.17 24.78 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 C-N-CA 125.93 1.692 . . . . 0.0 108.444 174.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.1 m -96.28 120.75 37.14 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 124.589 1.155 . . . . 0.0 110.674 178.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.3 mt -91.11 151.08 21.14 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.575 0.75 . . . . 0.0 111.087 170.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -133.16 153.83 38.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 125.22 1.408 . . . . 0.0 111.156 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.1 mp0 -65.27 125.11 24.02 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.92 0.888 . . . . 0.0 109.77 173.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -65.51 -30.31 71.06 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 114.452 1.279 . . . . 0.0 114.452 -158.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -137.83 148.58 45.58 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 126.076 1.75 . . . . 0.0 110.602 170.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -127.52 25.67 6.05 Favored 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 124.776 1.23 . . . . 0.0 112.92 -170.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 90.3 mtt-85 . . . . . 0 C--O 1.253 1.266 0 C-N-CA 126.401 1.88 . . . . 0.0 113.222 -174.088 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.548 0 CA-C-O 119.955 -0.359 . . . . 0.0 112.253 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -62.34 147.96 94.07 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 123.717 2.945 . . . . 0.0 114.304 -178.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . 166.41 152.09 7.11 Favored Glycine 0 CA--C 1.533 1.187 0 C-N-CA 125.435 1.493 . . . . 0.0 112.587 177.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 31.5 t -71.33 -42.85 68.03 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.278 0.631 . . . . 0.0 112.207 178.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 74.0 mmm 54.6 -160.9 0.15 Allowed 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 127.063 2.145 . . . . 0.0 113.951 175.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 4.8 t 61.4 -175.68 0.12 Allowed 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 126.514 1.925 . . . . 0.0 114.048 -179.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 44.8 mtm 62.08 157.46 0.05 Allowed 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 128.176 2.59 . . . . 0.0 115.699 -175.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -97.02 179.73 4.83 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.75 1.62 . . . . 0.0 112.028 175.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -118.0 150.92 38.47 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.822 1.249 . . . . 0.0 112.031 161.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 74.4 t -100.6 144.88 12.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 124.902 1.281 . . . . 0.0 110.082 171.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 14.4 p -132.36 143.23 40.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 125.307 1.443 . . . . 0.0 111.634 168.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 pp -148.79 160.93 42.74 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.45 1.5 . . . . 0.0 112.588 -179.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 19.5 m -117.51 130.24 56.31 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.212 1.405 . . . . 0.0 110.521 175.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -78.41 164.14 25.04 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 126.076 1.75 . . . . 0.0 112.331 178.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.18 -25.06 67.56 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 175.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -79.03 -2.22 39.27 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.843 1.257 . . . . 0.0 113.729 173.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.32 -4.52 85.48 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 125.587 1.565 . . . . 0.0 115.6 -179.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.65 153.7 44.49 Favored Glycine 0 CA--C 1.535 1.296 0 CA-C-N 118.938 1.369 . . . . 0.0 112.151 172.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 92.3 mtm-85 -111.36 152.46 27.26 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.55 1.14 . . . . 0.0 113.037 -179.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 85.7 t -135.72 141.0 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 126.065 1.746 . . . . 0.0 109.867 -177.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -125.07 145.97 49.67 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.364 1.466 . . . . 0.0 111.709 176.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 50.5 mt -130.32 110.69 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 125.209 1.404 . . . . 0.0 108.444 177.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.16 154.89 33.92 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 123.978 0.799 . . . . 0.0 114.059 -179.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 52.28 54.46 10.69 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.7 2.0 . . . . 0.0 113.671 171.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 28.4 m -79.14 135.84 24.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 C-N-CA 124.257 1.023 . . . . 0.0 112.199 178.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 91.3 mt -82.02 -35.0 29.31 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.998 1.319 . . . . 0.0 112.082 170.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -158.97 142.11 14.62 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 118.465 0.575 . . . . 0.0 112.264 -169.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 3.5 t -140.38 135.43 35.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 125.209 1.403 . . . . 0.0 109.011 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.44 142.56 16.96 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 -178.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -96.14 122.66 39.22 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.735 1.614 . . . . 0.0 110.07 173.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -154.36 134.38 13.1 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.241 1.416 . . . . 0.0 111.296 -174.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 64.91 24.69 70.22 Favored Glycine 0 CA--C 1.537 1.445 0 N-CA-C 115.409 0.924 . . . . 0.0 115.409 174.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.71 21.13 72.6 Favored Glycine 0 CA--C 1.538 1.498 0 CA-C-N 118.261 1.031 . . . . 0.0 114.51 -174.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.36 165.73 26.63 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.463 1.905 . . . . 0.0 110.825 178.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 68.1 t -109.12 139.61 31.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 C-N-CA 123.542 0.737 . . . . 0.0 111.412 166.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 65.1 mtp180 -113.16 148.67 34.92 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.852 1.661 . . . . 0.0 111.454 168.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 3.0 t -135.69 140.36 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 126.36 1.864 . . . . 0.0 109.66 -177.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 39.6 m -122.49 132.97 54.59 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.918 1.287 . . . . 0.0 110.231 174.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 33.5 p -103.34 165.44 11.03 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.248 1.419 . . . . 0.0 112.58 178.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -58.93 -18.02 29.74 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 176.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -79.31 -1.53 37.22 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.188 1.395 . . . . 0.0 113.423 174.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 26.0 t0 60.9 17.21 7.6 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.953 1.701 . . . . 0.0 113.915 -165.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -80.58 136.33 36.23 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.716 1.206 . . . . 0.0 110.257 166.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -112.34 154.01 26.36 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.865 0.866 . . . . 0.0 113.102 174.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -130.77 150.92 51.72 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.243 1.817 . . . . 0.0 110.075 176.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.24 139.79 28.87 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.542 0.737 . . . . 0.0 112.435 -175.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -141.11 96.51 7.2 Favored Pre-proline 0 CA--C 1.543 0.702 0 C-N-CA 124.859 1.263 . . . . 0.0 111.981 -168.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -60.56 144.2 99.51 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 123.749 2.966 . . . . 0.0 113.51 174.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.34 1.75 90.48 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 125.076 1.322 . . . . 0.0 115.151 177.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 44.2 mt -100.01 161.47 13.59 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 118.789 1.294 . . . . 0.0 113.591 176.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -144.15 160.19 41.36 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 127.857 2.463 . . . . 0.0 109.578 164.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 49.4 mt -70.92 123.67 25.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 O-C-N 120.852 -1.155 . . . . 0.0 109.534 176.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.6 -34.56 4.95 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 125.032 1.301 . . . . 0.0 114.194 -178.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 74.3 ttt-85 -152.81 148.07 26.77 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 118.52 1.16 . . . . 0.0 112.551 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 45.4 t -133.71 128.84 54.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 126.746 2.018 . . . . 0.0 108.56 172.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -135.78 105.24 6.05 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 125.045 1.338 . . . . 0.0 111.25 -172.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -81.5 -16.03 53.1 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.455 1.102 . . . . 0.0 113.533 -178.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -73.87 -24.66 59.77 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.347 1.059 . . . . 0.0 112.384 177.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 49.5 m -121.61 -10.52 8.79 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.445 1.498 . . . . 0.0 114.798 176.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.32 43.09 32.76 Favored Glycine 0 CA--C 1.536 1.376 0 C-N-CA 124.448 1.023 . . . . 0.0 113.342 -179.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 86.5 t -125.56 137.28 58.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.866 1.266 . . . . 0.0 111.314 -171.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 81.5 mt -119.34 136.87 55.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 126.714 2.006 . . . . 0.0 108.436 169.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 29.9 t -128.37 133.73 48.69 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.186 0.994 . . . . 0.0 111.574 -177.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 24.6 mt -102.1 150.99 22.69 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.761 1.224 . . . . 0.0 112.257 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -132.43 158.13 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 126.519 1.927 . . . . 0.0 110.242 178.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -72.32 130.8 41.62 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.504 -0.747 . . . . 0.0 110.914 175.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -78.91 -3.6 45.6 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 -170.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -85.52 6.72 25.82 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.901 1.68 . . . . 0.0 115.49 177.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -89.56 16.23 8.1 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 126.76 2.024 . . . . 0.0 114.884 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 77.2 mtt-85 . . . . . 0 C--O 1.255 1.391 0 C-N-CA 125.968 1.707 . . . . 0.0 112.814 -178.63 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.614 0 N-CA-C 111.704 -0.559 . . . . 0.0 111.704 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.18 159.45 53.11 Favored 'Trans proline' 0 CA--C 1.537 0.666 0 C-N-CA 123.347 2.698 . . . . 0.0 112.5 178.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -75.49 66.98 2.27 Favored Glycine 0 N--CA 1.473 1.147 0 C-N-CA 124.95 1.262 . . . . 0.0 113.433 177.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 28.6 m 61.29 -10.94 0.06 Allowed 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 127.914 2.486 . . . . 0.0 117.308 -177.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.7 ptm -74.93 169.3 18.23 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.455 1.502 . . . . 0.0 111.878 171.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 29.4 p -142.44 152.16 42.49 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.089 0.956 . . . . 0.0 112.282 178.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -95.76 159.87 14.77 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.243 1.417 . . . . 0.0 113.348 -173.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.34 -174.65 1.08 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.505 1.522 . . . . 0.0 113.007 174.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -134.4 143.22 47.48 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.671 1.588 . . . . 0.0 111.872 167.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.8 t -99.66 142.6 14.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 125.89 1.676 . . . . 0.0 110.134 173.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.5 p -139.01 140.28 38.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.939 1.295 . . . . 0.0 111.578 173.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 pp -143.11 161.52 37.97 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.186 1.395 . . . . 0.0 112.481 -178.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.0 m -118.71 125.75 50.37 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.036 1.335 . . . . 0.0 109.407 167.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -74.24 166.11 24.02 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.915 1.286 . . . . 0.0 112.241 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.91 -24.89 67.24 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.957 0.903 . . . . 0.0 113.117 174.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -77.42 -4.96 48.03 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.318 1.447 . . . . 0.0 114.103 172.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.28 -4.31 85.8 Favored Glycine 0 CA--C 1.541 1.702 0 C-N-CA 125.966 1.746 . . . . 0.0 115.545 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -79.78 144.96 26.97 Favored Glycine 0 CA--C 1.534 1.27 0 CA-C-N 118.456 1.128 . . . . 0.0 112.066 173.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 53.8 mtm180 -100.02 154.74 18.16 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 118.406 1.103 . . . . 0.0 113.478 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 56.0 t -135.24 142.03 41.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 125.728 1.611 . . . . 0.0 109.823 176.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -128.61 137.54 51.74 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.469 1.508 . . . . 0.0 111.514 178.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 51.4 mt -132.57 102.56 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 125.946 1.699 . . . . 0.0 108.287 -178.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.91 177.15 54.44 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 123.786 0.707 . . . . 0.0 112.384 168.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 59.07 29.0 18.45 Favored 'General case' 0 CA--C 1.553 1.069 0 N-CA-C 114.325 1.232 . . . . 0.0 114.325 172.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.3 p -79.37 133.88 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 125.686 1.595 . . . . 0.0 112.782 -177.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 79.6 mt -97.96 -32.37 11.7 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.429 1.492 . . . . 0.0 113.065 173.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -155.83 146.77 22.27 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 119.161 0.892 . . . . 0.0 112.654 -175.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.5 t -136.98 139.64 44.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 126.101 1.76 . . . . 0.0 109.659 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -140.16 135.47 32.49 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.328 1.051 . . . . 0.0 112.6 179.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -96.79 114.07 25.68 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.937 1.295 . . . . 0.0 109.142 162.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -157.02 134.29 10.5 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.888 0.875 . . . . 0.0 112.096 -169.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.32 25.89 68.9 Favored Glycine 0 CA--C 1.54 1.642 0 O-C-N 120.905 -1.122 . . . . 0.0 115.246 172.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.81 16.56 70.0 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 124.778 1.18 . . . . 0.0 115.197 -177.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.61 155.88 45.02 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.96 1.304 . . . . 0.0 111.465 178.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.4 t -98.81 139.06 21.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 O-C-N 122.141 -0.35 . . . . 0.0 110.66 164.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 67.5 mtt85 -123.25 150.78 43.04 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.91 1.684 . . . . 0.0 111.242 176.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.9 t -138.51 135.35 43.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 125.149 1.379 . . . . 0.0 110.012 -172.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 91.4 m -123.53 125.75 45.45 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.552 1.141 . . . . 0.0 111.162 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 43.0 p -98.53 165.79 11.66 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.483 1.113 . . . . 0.0 113.051 -178.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 pp -65.82 -14.22 61.0 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 114.274 1.212 . . . . 0.0 114.274 173.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -78.73 0.73 25.61 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.381 1.072 . . . . 0.0 113.021 173.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 62.07 11.18 4.13 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 127.057 2.143 . . . . 0.0 114.132 -167.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -79.87 141.48 36.1 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.518 1.127 . . . . 0.0 110.918 170.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -122.46 148.94 44.54 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.432 1.493 . . . . 0.0 112.246 -177.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 67.9 m-70 -130.11 152.73 49.24 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 126.049 1.739 . . . . 0.0 110.958 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -148.62 138.47 22.2 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.27 1.028 . . . . 0.0 112.292 -176.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -143.26 97.23 5.68 Favored Pre-proline 0 CA--C 1.546 0.82 0 C-N-CA 125.22 1.408 . . . . 0.0 111.443 -170.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -61.43 148.32 93.27 Favored 'Trans proline' 0 CA--C 1.534 0.518 0 C-N-CA 123.773 2.982 . . . . 0.0 114.201 175.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.66 3.7 90.25 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 124.968 1.27 . . . . 0.0 115.121 176.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 48.6 mt -100.97 162.97 12.52 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 118.716 1.258 . . . . 0.0 113.186 177.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.75 159.64 41.62 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 127.798 2.439 . . . . 0.0 109.835 162.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 82.6 mt -73.08 125.07 31.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 O-C-N 120.914 -1.116 . . . . 0.0 109.146 176.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.59 -36.72 4.21 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 125.176 1.369 . . . . 0.0 114.869 -173.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 29.9 mtm180 -147.78 158.41 44.01 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 118.758 1.279 . . . . 0.0 113.098 177.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.5 t -131.58 120.57 45.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 125.377 1.471 . . . . 0.0 108.162 159.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -123.09 84.91 2.34 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 122.471 1.129 . . . . 0.0 111.052 -165.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -70.54 -13.62 62.18 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.744 1.617 . . . . 0.0 112.848 -171.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.6 mtp-105 -62.24 -25.17 67.67 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.109 1.764 . . . . 0.0 112.825 170.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 89.4 p -138.14 -8.85 1.54 Allowed 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -176.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.81 32.31 53.96 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 124.2 0.905 . . . . 0.0 113.543 -177.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.7 t -107.44 139.27 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.672 1.189 . . . . 0.0 111.337 -178.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 94.1 mt -118.65 113.62 42.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 126.354 1.861 . . . . 0.0 107.834 174.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.4 m -96.74 135.82 38.15 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.505 0.722 . . . . 0.0 110.56 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.2 mp -108.47 149.49 28.73 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.86 1.664 . . . . 0.0 110.545 174.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -136.54 161.81 36.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 126.743 2.017 . . . . 0.0 111.175 -176.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -70.26 132.99 46.57 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.23 -0.918 . . . . 0.0 111.274 174.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.28 -4.45 33.25 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 -174.129 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -132.61 149.1 52.36 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.957 1.703 . . . . 0.0 111.922 174.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -126.76 45.11 2.75 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.758 1.623 . . . . 0.0 111.024 -176.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 . . . . . 0 C--O 1.251 1.154 0 C-N-CA 126.577 1.951 . . . . 0.0 113.183 -176.776 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.504 0 N-CA-C 112.113 -0.395 . . . . 0.0 112.113 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -68.18 157.66 60.84 Favored 'Trans proline' 0 CA--C 1.543 0.964 0 C-N-CA 123.883 3.055 . . . . 0.0 112.847 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -78.01 159.53 47.46 Favored Glycine 0 CA--C 1.539 1.566 0 C-N-CA 124.811 1.196 . . . . 0.0 113.45 173.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 28.4 t -76.13 154.05 35.76 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.977 0.911 . . . . 0.0 112.825 178.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.8 ppp? -127.54 10.73 6.72 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 126.512 1.925 . . . . 0.0 112.856 171.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 62.4 m -68.43 167.52 14.56 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.172 1.389 . . . . 0.0 113.453 -177.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -60.67 151.05 30.18 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.675 1.19 . . . . 0.0 112.388 176.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.83 175.21 5.21 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.258 1.423 . . . . 0.0 114.244 -175.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -130.48 127.37 39.06 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.497 1.919 . . . . 0.0 111.314 175.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 27.3 t -99.39 145.62 10.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 125.508 1.523 . . . . 0.0 110.373 -176.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.8 p -140.21 143.51 29.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.232 1.013 . . . . 0.0 112.208 175.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 pp -150.91 157.53 43.02 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.761 1.625 . . . . 0.0 112.668 -178.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 18.2 m -112.4 132.66 54.91 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.658 1.183 . . . . 0.0 110.873 177.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 35.3 mtmt -80.07 163.03 24.48 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 126.389 1.876 . . . . 0.0 112.748 177.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.5 -25.45 68.0 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 174.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 41.3 p30 -80.03 -1.34 39.36 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.389 1.076 . . . . 0.0 113.824 175.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.21 -7.42 82.11 Favored Glycine 0 CA--C 1.541 1.7 0 C-N-CA 125.927 1.727 . . . . 0.0 115.572 179.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.65 171.67 54.21 Favored Glycine 0 CA--C 1.534 1.248 0 CA-C-N 118.677 1.239 . . . . 0.0 113.076 171.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -128.94 153.98 47.0 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.814 1.245 . . . . 0.0 113.015 -178.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 97.5 t -131.6 141.57 45.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 126.384 1.874 . . . . 0.0 109.41 -178.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -131.05 142.66 50.32 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.305 1.442 . . . . 0.0 111.537 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 25.6 mt -134.9 106.58 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.856 1.262 . . . . 0.0 109.558 -178.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.17 175.81 51.49 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 123.688 0.661 . . . . 0.0 113.483 173.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 58.28 32.67 22.34 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.229 1.412 . . . . 0.0 114.708 168.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 35.4 m -76.98 135.81 25.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 O-C-N 121.004 -1.06 . . . . 0.0 113.268 -176.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 74.6 mt -82.16 -37.22 26.49 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.231 1.013 . . . . 0.0 111.805 169.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -159.48 148.51 18.07 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.575 0.75 . . . . 0.0 111.752 -176.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 40.0 t -130.48 138.1 54.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 127.293 2.237 . . . . 0.0 108.698 172.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -136.81 133.23 35.7 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.547 1.539 . . . . 0.0 111.491 -178.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.85 148.5 25.35 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.018 0.927 . . . . 0.0 110.801 162.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -142.9 -173.13 3.81 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.653 1.581 . . . . 0.0 111.067 174.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.74 83.08 0.05 OUTLIER Glycine 0 CA--C 1.531 1.087 0 C-N-CA 125.726 1.631 . . . . 0.0 113.658 -178.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.54 21.24 44.84 Favored Glycine 0 CA--C 1.532 1.123 0 C-N-CA 125.802 1.668 . . . . 0.0 115.445 178.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -158.63 165.55 34.18 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.808 1.804 . . . . 0.0 113.637 176.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 75.6 t -117.92 144.84 24.86 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 124.861 1.264 . . . . 0.0 110.948 164.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -130.21 147.63 51.96 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 127.35 2.26 . . . . 0.0 110.444 178.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -154.05 145.79 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 123.733 0.813 . . . . 0.0 112.274 -173.505 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 33.3 m -132.15 134.88 45.93 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.754 1.222 . . . . 0.0 112.51 -175.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 29.8 p -91.5 164.19 13.89 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 125.279 1.432 . . . . 0.0 113.851 179.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -67.27 -15.51 63.73 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 173.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -94.85 20.74 8.39 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.362 1.465 . . . . 0.0 112.522 170.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 62.38 18.62 10.45 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 127.877 2.471 . . . . 0.0 115.472 173.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -81.76 126.49 31.88 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.024 -1.048 . . . . 0.0 110.683 173.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -98.84 142.28 30.57 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.734 1.214 . . . . 0.0 111.398 176.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -134.87 151.38 50.85 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.033 1.333 . . . . 0.0 110.9 177.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -147.43 141.72 26.26 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.389 1.075 . . . . 0.0 112.336 -178.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -142.23 95.9 6.6 Favored Pre-proline 0 CA--C 1.548 0.872 0 C-N-CA 125.302 1.441 . . . . 0.0 111.137 -170.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -64.29 149.04 90.95 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 123.271 2.648 . . . . 0.0 113.069 174.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.6 0.36 89.89 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 125.915 1.721 . . . . 0.0 115.023 178.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 37.0 mt -101.49 164.49 11.74 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.188 1.395 . . . . 0.0 114.112 179.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.76 160.56 40.52 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 128.625 2.77 . . . . 0.0 110.135 164.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 46.1 mt -73.62 120.19 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 O-C-N 121.043 -1.036 . . . . 0.0 109.355 175.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.73 -43.61 2.86 Favored Glycine 0 N--CA 1.475 1.253 0 C-N-CA 124.759 1.171 . . . . 0.0 114.464 -173.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 74.9 ttt-85 -149.42 143.15 25.53 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.704 1.202 . . . . 0.0 111.178 -177.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 41.2 t -131.59 126.15 57.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.368 1.467 . . . . 0.0 108.912 177.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -125.94 106.22 9.48 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.54 1.536 . . . . 0.0 110.29 -167.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -81.74 -11.19 59.13 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.999 0.92 . . . . 0.0 112.743 -178.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 44.1 mtm105 -80.65 -43.43 20.45 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.041 1.336 . . . . 0.0 111.008 176.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 10.8 t -99.72 -18.96 17.0 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.276 1.43 . . . . 0.0 114.136 179.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.08 17.1 72.95 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 124.833 1.206 . . . . 0.0 114.268 -175.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 74.7 t -87.6 140.42 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 125.066 1.346 . . . . 0.0 112.396 -175.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 88.2 mt -120.65 105.84 17.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 126.626 1.97 . . . . 0.0 108.026 168.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 15.5 m -93.02 119.65 32.5 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.262 1.025 . . . . 0.0 110.37 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 31.2 mt -91.57 147.28 23.13 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 123.901 0.88 . . . . 0.0 111.011 171.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -135.44 161.35 39.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 126.12 1.768 . . . . 0.0 110.228 -179.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -70.64 138.23 50.56 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.339 -0.85 . . . . 0.0 111.79 175.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -92.06 -13.21 31.24 Favored 'General case' 0 N--CA 1.482 1.139 0 O-C-N 121.584 -0.697 . . . . 0.0 112.342 162.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -75.1 178.65 5.53 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.907 1.683 . . . . 0.0 112.947 171.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 58.8 28.27 17.17 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 126.426 1.89 . . . . 0.0 115.686 169.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 88.9 mmt-85 . . . . . 0 C--O 1.253 1.24 0 C-N-CA 125.142 1.377 . . . . 0.0 112.227 169.591 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.42 0 CA-C-O 119.39 -0.672 . . . . 0.0 111.844 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -70.62 160.86 48.07 Favored 'Trans proline' 0 CA--C 1.546 1.101 0 C-N-CA 123.842 3.028 . . . . 0.0 113.025 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 80.39 163.92 29.62 Favored Glycine 0 CA--C 1.539 1.581 0 C-N-CA 124.753 1.168 . . . . 0.0 114.642 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 19.6 m 61.39 -19.77 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 128.255 2.622 . . . . 0.0 117.406 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.4 ptp -152.47 159.04 43.39 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.947 2.099 . . . . 0.0 111.301 178.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 28.5 p -158.31 164.21 36.62 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.593 1.557 . . . . 0.0 112.012 176.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 5.3 mpp? -69.2 148.92 49.18 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.328 0.651 . . . . 0.0 111.528 168.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.81 172.61 11.88 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.088 0.955 . . . . 0.0 112.618 177.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -131.25 135.06 47.02 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 125.588 1.555 . . . . 0.0 110.809 168.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 85.5 t -99.91 144.12 12.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 125.413 1.485 . . . . 0.0 110.117 -174.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -138.21 141.46 37.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 125.144 1.378 . . . . 0.0 111.654 173.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 pp -149.77 164.13 36.11 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.178 1.791 . . . . 0.0 111.111 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.8 m -127.89 129.63 47.19 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.123 0.969 . . . . 0.0 111.242 178.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -75.63 165.18 25.46 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.491 1.516 . . . . 0.0 112.228 -179.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.95 -25.25 67.49 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 174.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -76.43 -2.53 32.46 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 125.406 1.483 . . . . 0.0 114.104 172.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.93 -4.09 83.8 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 125.295 1.426 . . . . 0.0 115.497 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -82.8 139.0 18.95 Favored Glycine 0 CA--C 1.529 0.926 0 CA-C-N 118.843 1.322 . . . . 0.0 112.776 174.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 64.1 mtm-85 -83.15 161.17 21.68 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 177.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 67.3 t -133.75 141.41 44.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 126.245 1.818 . . . . 0.0 108.826 166.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.2 mp0 -131.37 146.46 52.29 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.394 1.478 . . . . 0.0 111.655 177.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 25.6 mt -133.63 118.43 30.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.998 1.319 . . . . 0.0 108.872 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.43 155.71 27.35 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 123.706 0.669 . . . . 0.0 114.264 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 53.19 47.77 23.67 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.446 1.899 . . . . 0.0 114.623 168.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 m -75.34 138.15 21.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 O-C-N 121.484 -0.76 . . . . 0.0 111.938 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 80.2 mt -85.07 -33.59 22.41 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.465 1.106 . . . . 0.0 112.009 171.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 69.9 tt0 -154.44 145.93 23.12 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 118.72 0.691 . . . . 0.0 112.036 -172.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.5 t -136.48 136.52 48.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 126.166 1.786 . . . . 0.0 109.425 174.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -131.15 130.31 42.9 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.945 1.698 . . . . 0.0 111.278 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.32 108.73 20.08 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.024 0.929 . . . . 0.0 109.099 162.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -157.63 135.74 10.93 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.122 0.969 . . . . 0.0 111.812 -163.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.34 26.16 71.58 Favored Glycine 0 CA--C 1.535 1.334 0 N-CA-C 115.663 1.025 . . . . 0.0 115.663 172.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.44 22.87 74.8 Favored Glycine 0 CA--C 1.536 1.403 0 CA-C-N 118.289 1.045 . . . . 0.0 114.135 -172.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.33 169.86 16.86 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.962 2.105 . . . . 0.0 111.552 -177.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 90.4 t -109.23 137.92 39.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 123.035 0.534 . . . . 0.0 110.377 159.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 74.8 mtt85 -123.96 149.56 45.81 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.959 1.704 . . . . 0.0 111.068 174.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 37.3 t -138.36 145.51 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 125.633 1.573 . . . . 0.0 111.384 -172.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 68.7 m -124.8 132.86 53.3 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 125.049 1.339 . . . . 0.0 110.741 171.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 38.5 p -98.35 167.91 10.55 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.337 1.455 . . . . 0.0 112.99 178.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -63.2 -15.39 56.83 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 174.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -82.47 -0.61 47.17 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.835 1.254 . . . . 0.0 113.628 174.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 61.74 13.13 5.13 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 126.273 1.829 . . . . 0.0 113.781 -164.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -76.8 147.39 37.24 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.142 0.977 . . . . 0.0 110.311 168.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -129.38 151.49 49.96 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.02 1.328 . . . . 0.0 112.71 -173.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 -134.4 154.16 51.52 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.866 1.667 . . . . 0.0 111.202 -178.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -148.91 139.24 22.41 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.421 1.088 . . . . 0.0 112.179 -178.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -142.49 95.02 6.62 Favored Pre-proline 0 CA--C 1.544 0.742 0 C-N-CA 125.369 1.467 . . . . 0.0 111.488 -172.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -61.94 146.82 96.17 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 123.703 2.935 . . . . 0.0 113.494 175.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.12 1.32 89.92 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 124.978 1.275 . . . . 0.0 114.867 177.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.2 mt -98.25 160.95 13.96 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 118.43 1.115 . . . . 0.0 112.887 176.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.18 159.95 41.22 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 127.55 2.34 . . . . 0.0 110.802 164.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 32.2 mt -74.07 120.45 23.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 177.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -100.74 -38.55 3.39 Favored Glycine 0 N--CA 1.475 1.244 0 C-N-CA 124.417 1.008 . . . . 0.0 114.389 -175.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 70.1 ttt-85 -153.43 146.85 24.89 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.254 1.422 . . . . 0.0 111.056 -176.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.3 t -130.63 119.91 46.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 125.201 1.401 . . . . 0.0 109.166 171.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -116.47 96.34 5.47 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.414 1.485 . . . . 0.0 110.07 -175.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -75.88 -4.22 39.64 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.036 0.934 . . . . 0.0 113.294 -170.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 72.0 mtt85 -61.91 -28.37 69.48 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.221 1.008 . . . . 0.0 112.724 171.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.0 t -138.56 10.09 2.69 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.594 1.558 . . . . 0.0 113.041 175.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.29 31.2 79.76 Favored Glycine 0 CA--C 1.537 1.462 0 O-C-N 120.336 -1.477 . . . . 0.0 113.876 -179.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.1 t -84.93 124.68 40.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-N 118.917 1.359 . . . . 0.0 111.338 -177.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 91.2 mt -104.43 110.09 29.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 126.163 1.785 . . . . 0.0 108.362 172.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 51.0 m -97.17 121.93 39.62 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.083 0.953 . . . . 0.0 111.298 178.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.3 mt -95.96 150.65 20.22 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.461 1.104 . . . . 0.0 112.005 174.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -135.98 160.66 38.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 126.627 1.971 . . . . 0.0 110.46 -178.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -69.42 131.84 45.41 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.315 -0.865 . . . . 0.0 110.643 172.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -69.14 -19.28 64.02 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 -170.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -142.1 145.77 34.65 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.854 1.662 . . . . 0.0 111.117 177.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.4 m120 -94.57 42.32 1.09 Allowed 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 125.222 1.409 . . . . 0.0 113.102 -176.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 . . . . . 0 C--O 1.252 1.232 0 C-N-CA 125.49 1.516 . . . . 0.0 112.869 -177.811 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.36 0 CA-C-O 118.651 -1.083 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -68.19 178.78 20.5 Favored 'Cis proline' 0 CA--C 1.539 0.748 0 CA-C-N 119.607 1.704 . . . . 0.0 113.263 -0.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -159.74 175.67 36.56 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 124.724 1.154 . . . . 0.0 113.499 179.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 15.0 m -65.55 159.95 23.47 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.217 1.407 . . . . 0.0 113.974 -176.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 39.0 mtt -70.75 -173.37 0.76 Allowed 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.486 1.114 . . . . 0.0 112.051 164.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 56.2 m 64.63 19.38 11.8 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 115.899 1.814 . . . . 0.0 115.899 169.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 41.2 mtm -62.9 152.5 36.24 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.617 1.167 . . . . 0.0 113.885 179.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -90.37 177.52 6.37 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.075 1.35 . . . . 0.0 112.328 176.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -126.31 135.5 51.59 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.219 1.408 . . . . 0.0 110.808 160.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 42.2 t -99.66 142.47 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.349 1.06 . . . . 0.0 110.123 -178.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 14.7 p -137.1 143.65 34.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 125.467 1.507 . . . . 0.0 111.523 174.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 pp -152.65 157.06 40.4 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.475 1.51 . . . . 0.0 112.634 -178.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 18.8 m -111.52 130.76 55.63 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.116 1.366 . . . . 0.0 109.789 169.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -82.52 162.14 22.11 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.734 1.613 . . . . 0.0 112.753 179.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.67 -24.39 66.71 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 175.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -75.16 -4.6 39.72 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 125.318 1.447 . . . . 0.0 113.951 173.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.34 -5.22 81.56 Favored Glycine 0 CA--C 1.542 1.729 0 C-N-CA 125.307 1.432 . . . . 0.0 115.152 -176.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.43 167.36 54.81 Favored Glycine 0 CA--C 1.533 1.167 0 CA-C-N 118.273 1.036 . . . . 0.0 112.6 171.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -127.7 152.48 47.66 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.543 1.137 . . . . 0.0 113.162 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 64.6 t -135.22 139.61 46.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.699 1.6 . . . . 0.0 109.812 -177.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -128.52 147.18 50.68 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.572 1.549 . . . . 0.0 111.037 176.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 34.7 mt -135.33 120.83 29.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 125.21 1.404 . . . . 0.0 108.993 -177.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -94.06 160.91 24.23 Favored Glycine 0 CA--C 1.542 1.777 0 C-N-CA 124.87 1.224 . . . . 0.0 113.669 177.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 50.83 45.98 26.66 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.723 1.609 . . . . 0.0 112.797 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 74.9 t -74.14 118.5 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 124.301 1.04 . . . . 0.0 110.067 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 21.8 tp -97.23 -23.65 16.07 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.095 1.358 . . . . 0.0 112.354 -176.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -156.77 147.7 21.87 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.291 0.95 . . . . 0.0 112.58 175.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 25.8 t -135.48 142.1 40.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 126.109 1.764 . . . . 0.0 110.244 174.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -137.13 145.5 43.91 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 125.273 1.429 . . . . 0.0 111.33 176.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -131.06 125.09 32.29 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.981 1.312 . . . . 0.0 111.011 177.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -158.9 141.35 14.09 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.632 1.173 . . . . 0.0 111.269 -177.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.15 22.23 57.78 Favored Glycine 0 CA--C 1.539 1.546 0 N-CA-C 115.982 1.153 . . . . 0.0 115.982 170.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.62 22.67 66.44 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 124.116 0.865 . . . . 0.0 114.773 -174.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.52 135.87 37.15 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 118.603 1.201 . . . . 0.0 112.214 175.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 94.2 t -102.55 137.98 28.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 123.854 0.861 . . . . 0.0 111.045 177.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -118.62 147.36 43.83 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.448 1.899 . . . . 0.0 110.312 175.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 22.1 t -136.55 140.81 42.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.662 1.585 . . . . 0.0 110.371 -178.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 46.3 m -123.75 127.55 48.29 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.935 1.294 . . . . 0.0 110.511 172.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 49.3 p -87.92 167.01 14.11 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.551 1.14 . . . . 0.0 112.847 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 60.5 tp -47.44 -35.14 8.09 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.613 1.965 . . . . 0.0 113.488 165.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -82.75 5.21 22.15 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.087 1.755 . . . . 0.0 113.589 -176.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 60.9 12.42 3.84 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.636 1.975 . . . . 0.0 114.333 -171.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -74.24 133.83 42.67 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 120.708 -1.245 . . . . 0.0 110.208 168.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -109.72 146.92 34.09 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.855 1.262 . . . . 0.0 112.37 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -134.76 152.03 51.43 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.827 1.651 . . . . 0.0 111.19 177.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.77 141.29 29.09 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.552 1.141 . . . . 0.0 111.79 -179.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -139.89 88.02 12.3 Favored Pre-proline 0 CA--C 1.543 0.688 0 C-N-CA 125.36 1.464 . . . . 0.0 110.776 -170.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -68.27 145.88 67.53 Favored 'Trans proline' 0 CA--C 1.537 0.668 0 C-N-CA 122.953 2.435 . . . . 0.0 111.785 174.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.53 4.4 73.44 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 125.569 1.557 . . . . 0.0 114.666 -175.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 50.7 mt -114.51 163.38 15.45 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.154 1.381 . . . . 0.0 113.362 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.37 160.34 40.34 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 127.293 2.237 . . . . 0.0 109.875 164.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 33.9 mt -71.09 120.04 18.41 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 O-C-N 121.186 -0.946 . . . . 0.0 108.775 173.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -94.74 -45.42 3.16 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 123.966 0.793 . . . . 0.0 113.366 -178.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 41.6 ttp85 -150.03 147.15 27.48 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.58 1.152 . . . . 0.0 111.72 -173.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 24.4 t -129.32 130.77 67.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 125.393 1.477 . . . . 0.0 108.503 171.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -133.34 100.98 5.0 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.027 1.331 . . . . 0.0 110.375 -173.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -81.72 -8.97 59.75 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.423 1.489 . . . . 0.0 113.233 -168.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 25.6 mtm180 -68.89 -23.46 64.2 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.039 1.336 . . . . 0.0 112.036 171.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 44.9 m -128.61 -0.4 5.51 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.24 1.816 . . . . 0.0 113.83 179.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.86 24.73 73.01 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 124.697 1.141 . . . . 0.0 114.516 -176.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.7 t -91.59 135.17 27.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-N 118.865 1.333 . . . . 0.0 111.596 -173.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 89.5 mt -113.4 121.73 66.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 125.935 1.694 . . . . 0.0 107.31 165.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 34.4 t -114.24 123.28 49.17 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 124.663 1.185 . . . . 0.0 111.25 -177.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 23.3 mt -94.11 148.77 21.86 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.547 1.139 . . . . 0.0 112.215 178.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -130.22 158.72 42.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 125.958 1.703 . . . . 0.0 110.783 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -69.9 129.48 39.63 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.593 -0.692 . . . . 0.0 111.587 177.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -74.63 -19.02 60.46 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.093 1.145 . . . . 0.0 114.093 -174.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 40.3 mm-40 -142.04 154.65 45.13 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.756 1.622 . . . . 0.0 111.833 172.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -118.5 15.87 13.77 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.842 1.657 . . . . 0.0 113.065 176.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 85.1 mtp180 . . . . . 0 C--O 1.253 1.283 0 C-N-CA 125.9 1.68 . . . . 0.0 112.781 -178.813 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.319 0 CA-C-O 119.499 -0.612 . . . . 0.0 112.419 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -68.85 153.75 72.27 Favored 'Trans proline' 0 CA--C 1.545 1.059 0 C-N-CA 123.983 3.122 . . . . 0.0 112.93 176.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -81.81 -144.7 4.7 Favored Glycine 0 CA--C 1.538 1.513 0 C-N-CA 125.292 1.425 . . . . 0.0 113.694 175.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 23.2 t -63.16 158.05 20.87 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.587 1.155 . . . . 0.0 112.444 175.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.4 mtm 57.72 -128.97 1.59 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.297 1.439 . . . . 0.0 112.043 -170.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 67.6 m 60.27 -172.77 0.12 Allowed 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.278 1.831 . . . . 0.0 113.778 -172.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 4.7 mpp? 64.2 153.49 0.05 Allowed 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 127.926 2.49 . . . . 0.0 114.77 -168.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -84.0 179.01 7.63 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.891 1.676 . . . . 0.0 112.094 176.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -130.23 142.99 50.52 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.512 1.525 . . . . 0.0 111.547 166.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 32.6 t -99.96 141.67 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.532 1.133 . . . . 0.0 109.8 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.3 p -140.73 142.78 29.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 123.841 0.856 . . . . 0.0 112.518 178.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 pp -151.88 159.39 43.86 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.079 1.351 . . . . 0.0 113.017 -172.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.9 m -114.76 131.65 56.71 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.753 1.221 . . . . 0.0 110.171 171.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -84.25 161.87 20.35 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.563 1.545 . . . . 0.0 112.27 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.29 -22.56 66.95 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 172.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -72.91 -7.7 52.21 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.231 1.412 . . . . 0.0 113.925 172.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.27 -5.78 81.97 Favored Glycine 0 CA--C 1.541 1.667 0 C-N-CA 125.649 1.595 . . . . 0.0 114.969 -175.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.52 171.04 55.16 Favored Glycine 0 CA--C 1.538 1.503 0 CA-C-N 118.272 1.036 . . . . 0.0 113.065 170.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 83.2 mtt180 -126.84 154.74 43.96 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.015 1.326 . . . . 0.0 112.761 178.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.4 t -133.66 138.91 49.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 125.763 1.625 . . . . 0.0 109.169 178.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -140.79 128.39 21.47 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.212 1.405 . . . . 0.0 110.37 -174.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 83.1 mt -131.8 110.01 16.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 124.743 1.217 . . . . 0.0 110.102 -166.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.22 159.48 41.26 Favored Glycine 0 CA--C 1.534 1.242 0 C-N-CA 124.37 0.986 . . . . 0.0 115.0 -176.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 55.29 44.42 27.47 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.269 1.828 . . . . 0.0 114.167 169.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -71.54 133.16 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 124.146 0.978 . . . . 0.0 110.825 -178.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.1 mt -85.15 -41.42 15.69 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.975 0.91 . . . . 0.0 111.289 174.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -153.42 143.53 22.2 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.497 1.119 . . . . 0.0 111.067 178.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.6 p -134.44 137.75 50.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 126.383 1.873 . . . . 0.0 109.907 175.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 32.6 mtp-105 -135.22 137.67 42.85 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.476 1.51 . . . . 0.0 111.452 -173.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.02 117.74 30.11 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.054 1.342 . . . . 0.0 108.285 166.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -158.55 126.65 5.22 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.949 0.9 . . . . 0.0 112.059 -161.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 62.72 27.5 70.05 Favored Glycine 0 CA--C 1.535 1.316 0 N-CA-C 115.194 0.838 . . . . 0.0 115.194 174.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.79 17.15 79.13 Favored Glycine 0 CA--C 1.54 1.597 0 CA-C-N 118.192 0.996 . . . . 0.0 114.35 -173.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.38 166.77 21.74 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.015 1.726 . . . . 0.0 111.508 178.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.1 t -105.55 139.46 26.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 O-C-N 121.602 -0.686 . . . . 0.0 110.476 160.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -127.0 141.2 51.85 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 126.822 2.049 . . . . 0.0 109.966 -177.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.4 m -133.67 152.28 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 C-N-CA 124.834 1.254 . . . . 0.0 112.613 -174.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 47.9 m -134.23 134.84 42.47 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.974 1.709 . . . . 0.0 110.675 173.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.2 p -117.73 165.51 13.54 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 124.483 1.113 . . . . 0.0 112.886 -178.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -66.13 -9.45 31.59 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 114.914 1.449 . . . . 0.0 114.914 176.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -81.34 4.86 19.18 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.916 1.286 . . . . 0.0 113.084 171.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 61.87 16.01 7.63 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 127.266 2.226 . . . . 0.0 114.345 -170.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -78.39 150.52 33.13 Favored 'General case' 0 C--O 1.237 0.406 0 O-C-N 121.212 -0.93 . . . . 0.0 112.669 171.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -134.69 140.6 46.11 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.515 1.526 . . . . 0.0 110.6 172.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -143.16 155.64 44.6 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.543 1.537 . . . . 0.0 111.613 -178.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -139.84 145.97 38.77 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.129 1.372 . . . . 0.0 112.726 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -137.09 94.36 12.6 Favored Pre-proline 0 CA--C 1.545 0.759 0 C-N-CA 126.071 1.748 . . . . 0.0 110.096 -174.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.07 149.82 65.43 Favored 'Trans proline' 0 CA--C 1.534 0.48 0 C-N-CA 123.101 2.534 . . . . 0.0 113.512 -178.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.67 7.09 82.24 Favored Glycine 0 CA--C 1.531 1.061 0 C-N-CA 125.528 1.537 . . . . 0.0 114.905 -177.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 75.7 mt -113.44 161.08 17.76 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.971 1.309 . . . . 0.0 113.8 -177.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.1 160.86 39.37 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 127.793 2.437 . . . . 0.0 109.509 166.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 42.3 mt -73.82 121.51 24.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 O-C-N 120.977 -1.077 . . . . 0.0 109.183 178.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -95.63 -49.9 2.07 Favored Glycine 0 CA--C 1.528 0.886 0 C-N-CA 124.628 1.108 . . . . 0.0 114.054 -173.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 30.8 mtm105 -148.9 162.97 38.79 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.665 1.186 . . . . 0.0 111.892 178.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.4 t -130.59 125.27 58.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 123.654 0.782 . . . . 0.0 110.531 163.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -94.09 90.94 6.6 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.937 1.695 . . . . 0.0 110.005 170.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -68.67 -10.61 57.29 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 120.882 -1.136 . . . . 0.0 112.226 174.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -60.43 -29.0 68.72 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.522 1.929 . . . . 0.0 113.138 167.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 90.5 p -139.88 -7.67 1.24 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.11 1.364 . . . . 0.0 114.164 -171.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.98 16.52 78.78 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 124.997 1.284 . . . . 0.0 114.854 -177.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 97.9 t -88.92 121.88 39.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 CA-C-N 119.561 1.68 . . . . 0.0 111.81 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 93.6 mt -97.26 114.17 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 126.008 1.723 . . . . 0.0 107.768 168.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.9 t -100.71 122.58 43.59 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.551 1.14 . . . . 0.0 111.28 -176.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.0 mt -93.32 151.89 19.5 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.428 1.091 . . . . 0.0 112.759 175.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -136.91 162.11 34.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 126.489 1.916 . . . . 0.0 110.923 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 54.8 mp0 -68.75 133.17 47.99 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.462 -0.774 . . . . 0.0 111.656 178.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -71.9 -16.95 62.14 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 114.659 1.355 . . . . 0.0 114.659 -173.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -140.94 149.11 41.42 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.21 1.804 . . . . 0.0 110.928 169.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -124.71 -2.07 7.89 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.091 1.356 . . . . 0.0 114.296 -178.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 . . . . . 0 C--O 1.257 1.466 0 C-N-CA 126.065 1.746 . . . . 0.0 113.204 176.315 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.573 0 CA-C-O 119.549 -0.584 . . . . 0.0 112.29 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -69.81 164.83 33.12 Favored 'Trans proline' 0 CA--C 1.544 1.002 0 C-N-CA 123.772 2.982 . . . . 0.0 112.936 177.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -79.42 -175.21 47.13 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 124.605 1.097 . . . . 0.0 114.338 178.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 43.8 t -152.39 137.89 17.7 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.246 1.418 . . . . 0.0 110.872 173.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 87.6 mtp -74.98 130.93 40.21 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.623 0.769 . . . . 0.0 112.628 -178.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 35.3 t -155.07 130.24 9.57 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.564 1.546 . . . . 0.0 109.692 167.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 4.2 mpp? 52.71 -177.27 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 124.888 1.275 . . . . 0.0 113.388 -160.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.03 -176.8 4.62 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.942 1.697 . . . . 0.0 110.832 175.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -125.56 142.43 51.51 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.66 0.784 . . . . 0.0 112.869 166.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 25.4 t -100.45 142.76 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.846 1.658 . . . . 0.0 110.129 176.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 14.6 p -134.05 138.62 49.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 125.069 1.348 . . . . 0.0 111.76 175.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 pp -150.17 159.37 44.47 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.241 1.416 . . . . 0.0 112.682 -174.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 13.4 m -109.22 132.18 54.37 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.165 1.386 . . . . 0.0 110.835 175.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -80.97 163.16 23.51 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.583 1.553 . . . . 0.0 112.983 178.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.88 -21.94 65.13 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 123.768 0.827 . . . . 0.0 112.827 166.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -69.27 -11.49 60.85 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.658 1.583 . . . . 0.0 113.434 171.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.6 -10.64 49.93 Favored Glycine 0 CA--C 1.54 1.655 0 C-N-CA 125.573 1.558 . . . . 0.0 115.008 -172.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.44 170.64 54.91 Favored Glycine 0 CA--C 1.532 1.14 0 CA-C-N 118.325 1.063 . . . . 0.0 112.805 170.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -122.56 153.25 39.49 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.95 1.3 . . . . 0.0 113.258 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 88.2 t -130.93 136.63 57.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 126.342 1.857 . . . . 0.0 110.009 -177.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -116.8 142.69 46.59 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.173 1.389 . . . . 0.0 110.73 170.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 69.7 mt -128.42 109.39 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 125.622 1.569 . . . . 0.0 108.201 -176.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.2 165.17 41.01 Favored Glycine 0 CA--C 1.538 1.518 0 C-N-CA 124.34 0.972 . . . . 0.0 114.345 -178.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 53.4 39.38 29.82 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.252 1.821 . . . . 0.0 114.092 174.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 61.7 t -70.97 126.1 30.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 125.227 1.411 . . . . 0.0 110.35 178.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 5.0 tt -105.65 -23.9 12.66 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.321 1.848 . . . . 0.0 112.719 -176.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -153.99 149.05 26.82 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.07 1.348 . . . . 0.0 110.79 167.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 11.5 p -140.67 145.91 24.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.807 1.243 . . . . 0.0 110.657 173.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 35.0 mtt85 -143.71 123.38 13.32 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.378 1.471 . . . . 0.0 111.993 -169.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.18 101.07 12.18 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.138 0.975 . . . . 0.0 108.527 162.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -156.39 135.26 11.83 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.562 1.145 . . . . 0.0 111.922 -164.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.79 30.63 74.63 Favored Glycine 0 CA--C 1.534 1.239 0 N-CA-C 115.278 0.871 . . . . 0.0 115.278 173.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.74 19.44 79.02 Favored Glycine 0 CA--C 1.539 1.565 0 CA-C-N 118.059 0.93 . . . . 0.0 114.41 -177.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -148.05 170.0 18.72 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.496 1.919 . . . . 0.0 111.007 -175.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 64.9 t -97.94 133.15 41.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 O-C-N 121.864 -0.522 . . . . 0.0 110.016 154.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.75 145.8 39.9 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.991 1.716 . . . . 0.0 109.307 168.579 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 13.5 p -145.2 142.91 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.134 0.973 . . . . 0.0 111.473 -172.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 37.3 m -124.68 138.14 54.31 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.859 2.064 . . . . 0.0 110.763 -172.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 40.4 p -108.85 164.17 12.63 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.531 1.132 . . . . 0.0 111.614 172.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -64.88 -11.41 37.46 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 175.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -77.24 1.11 19.52 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.637 1.175 . . . . 0.0 113.152 172.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.2 t0 60.83 18.52 8.76 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 127.03 2.132 . . . . 0.0 113.846 -168.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 60.1 tt0 -86.6 141.8 28.73 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.251 1.42 . . . . 0.0 110.655 170.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -127.37 152.13 47.89 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.772 1.229 . . . . 0.0 112.857 177.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 67.6 m-70 -132.6 158.38 42.37 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.825 1.65 . . . . 0.0 111.113 178.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -140.73 141.13 34.93 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.471 1.109 . . . . 0.0 112.318 -176.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -140.34 93.05 9.09 Favored Pre-proline 0 CA--C 1.543 0.699 0 C-N-CA 125.635 1.574 . . . . 0.0 111.233 -174.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -59.84 146.64 95.17 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 124.044 3.163 . . . . 0.0 114.271 178.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.58 6.39 88.2 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.551 1.072 . . . . 0.0 115.211 178.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 48.7 mt -102.83 162.32 13.02 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 118.764 1.282 . . . . 0.0 113.252 174.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.56 162.47 35.8 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 127.758 2.423 . . . . 0.0 110.022 164.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 33.1 mt -73.84 120.0 22.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 O-C-N 120.868 -1.145 . . . . 0.0 108.897 175.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.32 -34.0 5.75 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 124.092 0.853 . . . . 0.0 114.63 -177.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 27.5 ttp85 -157.73 147.06 19.83 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.989 1.316 . . . . 0.0 111.584 -173.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 7.7 t -126.59 131.59 71.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 124.354 1.061 . . . . 0.0 109.207 164.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -129.48 95.53 4.03 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 126.462 1.905 . . . . 0.0 110.081 -171.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -80.73 -15.48 56.37 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.818 1.247 . . . . 0.0 112.786 -166.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -67.4 -18.44 65.12 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.054 0.941 . . . . 0.0 112.614 170.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 49.5 m -127.89 -5.48 5.66 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.373 1.469 . . . . 0.0 114.609 176.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.83 31.81 73.26 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 124.522 1.058 . . . . 0.0 114.614 -175.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 94.1 t -103.39 137.25 32.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.562 1.145 . . . . 0.0 112.053 -173.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 13.1 mt -115.15 109.83 29.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 C-N-CA 126.302 1.841 . . . . 0.0 107.671 171.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 18.0 m -94.81 121.33 36.28 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.563 -0.711 . . . . 0.0 110.766 178.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 28.1 mt -88.1 152.8 21.75 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.768 0.827 . . . . 0.0 111.919 173.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -132.57 158.09 43.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 126.673 1.989 . . . . 0.0 111.037 178.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -70.26 127.13 31.73 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.204 1.002 . . . . 0.0 110.524 173.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -74.9 -24.18 58.49 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 114.317 1.228 . . . . 0.0 114.317 -169.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -143.87 123.23 13.07 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 126.094 1.758 . . . . 0.0 110.801 170.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -92.77 0.26 57.39 Favored 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 -175.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 . . . . . 0 C--O 1.255 1.378 0 C-N-CA 126.207 1.803 . . . . 0.0 114.785 -177.841 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.81 0 CA-C-O 118.998 -0.89 . . . . 0.0 111.252 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -69.15 162.45 41.72 Favored 'Trans proline' 0 CA--C 1.544 0.981 0 C-N-CA 123.814 3.009 . . . . 0.0 112.493 179.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -173.18 -179.89 44.16 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 125.256 1.408 . . . . 0.0 113.061 -179.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 29.0 m -60.85 127.98 34.24 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.725 1.21 . . . . 0.0 112.442 -179.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mmm -86.7 152.53 22.46 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.727 1.211 . . . . 0.0 113.091 -178.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.9 t 59.78 -173.83 0.11 Allowed 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 126.379 1.872 . . . . 0.0 114.331 174.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 40.1 mtm 61.8 179.98 0.12 Allowed 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.745 2.418 . . . . 0.0 115.143 178.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -136.2 172.24 13.3 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.972 2.109 . . . . 0.0 110.437 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -105.46 143.8 33.12 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.802 0.841 . . . . 0.0 111.776 163.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.6 t -99.27 137.59 26.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 125.015 1.326 . . . . 0.0 109.045 171.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.9 p -132.63 141.67 44.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 125.078 1.351 . . . . 0.0 112.201 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 pp -147.79 157.19 43.42 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.387 1.475 . . . . 0.0 112.365 -176.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.0 m -111.68 132.08 54.85 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.725 1.21 . . . . 0.0 111.244 177.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -82.99 161.12 21.85 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.726 1.61 . . . . 0.0 112.23 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.57 -20.95 66.07 Favored 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 170.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -72.46 -7.79 51.72 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.842 1.657 . . . . 0.0 113.848 171.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.34 -8.28 72.03 Favored Glycine 0 CA--C 1.538 1.506 0 C-N-CA 125.638 1.59 . . . . 0.0 114.871 -176.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.52 170.44 54.81 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 124.906 1.241 . . . . 0.0 113.267 171.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -125.6 152.8 44.65 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.919 1.288 . . . . 0.0 112.927 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.1 t -131.87 141.1 46.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 126.502 1.921 . . . . 0.0 109.921 -178.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -127.66 143.05 51.19 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.161 1.384 . . . . 0.0 111.628 179.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -129.09 102.67 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 126.095 1.758 . . . . 0.0 108.082 177.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.0 160.21 44.38 Favored Glycine 0 CA--C 1.533 1.219 0 C-N-CA 124.229 0.919 . . . . 0.0 114.25 179.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 52.56 47.52 24.52 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.524 1.53 . . . . 0.0 113.519 174.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.8 m -70.8 131.31 34.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 O-C-N 120.928 -1.107 . . . . 0.0 110.671 172.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.7 mt -77.18 -32.13 55.9 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.257 1.023 . . . . 0.0 111.278 167.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -157.71 149.71 22.2 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.181 1.393 . . . . 0.0 112.072 -178.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.1 p -138.55 138.58 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 126.514 1.926 . . . . 0.0 110.529 170.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.31 138.6 40.17 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.844 1.258 . . . . 0.0 111.476 -177.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -102.93 118.91 37.86 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.261 1.424 . . . . 0.0 110.457 167.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -158.3 151.74 23.23 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.82 1.248 . . . . 0.0 112.093 -178.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.31 22.25 58.23 Favored Glycine 0 CA--C 1.54 1.62 0 C-N-CA 124.411 1.005 . . . . 0.0 115.523 175.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.73 24.98 68.45 Favored Glycine 0 CA--C 1.538 1.503 0 CA-C-N 118.459 1.129 . . . . 0.0 114.059 -172.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.56 167.09 23.04 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.527 1.931 . . . . 0.0 111.471 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 79.3 t -114.22 143.85 23.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 124.137 0.975 . . . . 0.0 111.285 167.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -130.19 143.99 51.1 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.344 1.458 . . . . 0.0 110.806 175.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.7 m -135.13 150.67 29.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 125.343 1.457 . . . . 0.0 111.236 -176.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 23.9 m -134.49 130.81 37.24 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.172 0.989 . . . . 0.0 110.121 173.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 21.0 p -97.09 168.77 10.25 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.553 1.141 . . . . 0.0 113.961 -172.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.9 tp -49.64 -30.89 9.7 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.064 2.146 . . . . 0.0 114.079 172.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -91.09 10.72 25.68 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.787 1.635 . . . . 0.0 113.666 -178.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 62.41 15.52 7.81 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.936 2.095 . . . . 0.0 114.772 -174.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -77.66 154.88 31.76 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.841 -1.162 . . . . 0.0 110.814 168.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -139.37 141.28 37.6 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.3 1.04 . . . . 0.0 111.334 -172.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 58.6 m-70 -137.04 156.37 48.51 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.058 1.343 . . . . 0.0 111.315 178.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.16 142.71 34.02 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.767 1.227 . . . . 0.0 111.533 -179.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -139.1 91.69 11.23 Favored Pre-proline 0 CA--C 1.544 0.747 0 C-N-CA 125.454 1.502 . . . . 0.0 111.084 -168.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -61.14 145.99 98.12 Favored 'Trans proline' 0 CA--C 1.535 0.526 0 C-N-CA 123.614 2.876 . . . . 0.0 113.525 175.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.01 2.28 88.4 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 125.03 1.3 . . . . 0.0 114.689 177.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 61.2 mt -107.75 161.48 14.85 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 118.705 1.252 . . . . 0.0 113.523 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.28 160.88 39.38 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 127.851 2.461 . . . . 0.0 109.723 165.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 30.6 mt -72.31 122.07 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 O-C-N 120.924 -1.11 . . . . 0.0 108.957 176.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.69 -37.1 3.55 Favored Glycine 0 N--CA 1.47 0.961 0 C-N-CA 124.078 0.847 . . . . 0.0 114.854 -175.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -152.81 144.6 23.58 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.261 1.024 . . . . 0.0 111.733 -172.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.5 t -136.22 119.21 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 125.649 1.58 . . . . 0.0 108.824 176.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -120.88 108.46 13.94 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.524 1.129 . . . . 0.0 110.773 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -82.3 -14.44 55.39 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.176 1.39 . . . . 0.0 112.953 -173.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 29.8 mtm180 -73.05 -41.87 63.7 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.57 1.148 . . . . 0.0 110.643 173.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.7 t -90.59 -30.39 17.24 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.492 1.517 . . . . 0.0 113.898 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.36 42.39 9.34 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.526 1.06 . . . . 0.0 112.794 -174.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 81.3 t -130.16 139.66 50.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 124.456 1.103 . . . . 0.0 111.431 -171.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 81.3 mt -123.2 117.47 51.67 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 C-N-CA 126.79 2.036 . . . . 0.0 108.51 177.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.8 m -102.83 129.06 49.39 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.936 0.895 . . . . 0.0 110.989 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.3 mt -90.76 151.53 21.17 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.646 1.178 . . . . 0.0 111.584 172.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -134.03 161.56 40.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 126.014 1.726 . . . . 0.0 110.777 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -64.42 126.0 26.41 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.72 0.808 . . . . 0.0 111.532 174.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -68.11 -11.78 59.7 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 121.275 -0.891 . . . . 0.0 112.959 177.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -110.09 8.59 23.98 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 126.89 2.076 . . . . 0.0 113.802 175.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 31.7 m120 52.29 31.55 9.53 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 128.211 2.605 . . . . 0.0 114.626 178.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 74.3 mtm180 . . . . . 0 C--O 1.254 1.308 0 C-N-CA 126.186 1.794 . . . . 0.0 113.307 -179.493 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.659 0 N-CA-C 112.009 -0.436 . . . . 0.0 112.009 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -59.55 146.79 94.15 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 123.906 3.07 . . . . 0.0 113.585 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -72.01 152.16 48.28 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 123.516 0.579 . . . . 0.0 113.698 176.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 38.4 m 53.74 50.3 17.33 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.931 1.692 . . . . 0.0 113.281 177.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.9 pmm? -71.75 2.37 5.46 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 116.078 1.881 . . . . 0.0 116.078 -172.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 85.7 m -126.28 139.69 53.11 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.986 1.714 . . . . 0.0 112.068 -176.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -78.2 160.39 28.0 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.2 1.4 . . . . 0.0 112.844 176.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.21 -178.36 3.88 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.038 1.335 . . . . 0.0 112.942 172.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -132.78 150.57 52.14 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.097 1.759 . . . . 0.0 111.251 166.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 9.5 t -107.02 144.26 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 C-N-CA 125.047 1.339 . . . . 0.0 110.761 176.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.9 p -139.53 144.37 28.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 125.096 1.358 . . . . 0.0 112.217 173.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 pp -153.74 164.25 38.63 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.235 1.814 . . . . 0.0 112.164 178.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 20.9 m -116.81 128.92 55.75 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.516 1.126 . . . . 0.0 110.471 170.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -74.45 165.21 25.58 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.553 1.141 . . . . 0.0 112.999 178.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.58 -20.94 63.85 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 123.838 0.855 . . . . 0.0 112.939 165.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -69.13 -10.85 59.66 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.686 1.594 . . . . 0.0 113.439 170.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.35 -9.88 52.4 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 125.673 1.606 . . . . 0.0 114.725 -172.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.76 142.82 23.87 Favored Glycine 0 CA--C 1.532 1.126 0 CA-C-N 118.653 1.227 . . . . 0.0 112.283 175.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 96.2 mtm-85 -86.91 151.98 22.83 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.36 1.064 . . . . 0.0 112.374 176.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 85.8 t -132.33 139.15 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 125.947 1.699 . . . . 0.0 109.429 177.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -134.06 142.93 47.75 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.266 1.426 . . . . 0.0 111.363 -178.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 37.5 mt -130.78 114.16 26.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 125.316 1.446 . . . . 0.0 109.154 178.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -86.39 158.44 31.26 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 123.772 0.701 . . . . 0.0 114.061 177.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 54.23 44.51 28.98 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 126.412 1.885 . . . . 0.0 114.446 171.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 11.8 p -75.09 138.47 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.393 1.077 . . . . 0.0 112.533 -177.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 76.4 mt -91.4 -37.76 13.0 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.255 1.022 . . . . 0.0 112.724 174.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -152.24 145.19 24.46 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.919 0.888 . . . . 0.0 112.53 -177.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 9.9 t -135.58 140.27 44.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 125.826 1.651 . . . . 0.0 109.883 172.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -135.28 136.49 41.68 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.644 1.577 . . . . 0.0 111.111 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.21 121.76 31.82 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 160.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -156.48 128.31 7.29 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.949 0.9 . . . . 0.0 111.745 -168.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.05 27.09 69.87 Favored Glycine 0 CA--C 1.538 1.512 0 N-CA-C 115.567 0.987 . . . . 0.0 115.567 171.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.61 19.8 72.77 Favored Glycine 0 CA--C 1.538 1.486 0 CA-C-N 118.743 1.272 . . . . 0.0 114.459 -173.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.01 166.82 23.14 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.354 1.861 . . . . 0.0 111.137 178.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 71.2 t -107.11 138.52 32.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 123.225 0.61 . . . . 0.0 110.413 162.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -130.1 138.79 50.88 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 126.285 1.834 . . . . 0.0 109.593 -179.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -146.51 145.97 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 124.015 0.926 . . . . 0.0 112.113 -168.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 47.5 m -131.77 126.33 34.15 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.802 1.241 . . . . 0.0 112.932 -177.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 30.7 p -87.37 170.48 11.36 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 124.997 1.319 . . . . 0.0 113.65 178.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -62.02 -15.47 44.54 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 172.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -87.16 3.96 44.28 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.774 1.23 . . . . 0.0 113.162 174.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 62.32 12.96 5.6 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.783 2.033 . . . . 0.0 114.21 -168.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -73.0 127.36 32.33 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.231 -0.918 . . . . 0.0 110.473 171.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -99.72 149.14 23.63 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.962 1.305 . . . . 0.0 112.284 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -135.07 147.47 49.58 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 126.091 1.756 . . . . 0.0 110.734 178.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.11 139.23 28.75 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.239 1.015 . . . . 0.0 112.598 -178.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -139.77 90.4 11.05 Favored Pre-proline 0 CA--C 1.542 0.671 0 C-N-CA 125.312 1.445 . . . . 0.0 110.847 -173.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -66.05 145.12 78.42 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 123.375 2.717 . . . . 0.0 112.416 177.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.7 3.15 83.93 Favored Glycine 0 CA--C 1.539 1.549 0 C-N-CA 124.929 1.252 . . . . 0.0 114.8 -177.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 64.1 mt -109.53 162.3 14.52 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 118.852 1.326 . . . . 0.0 113.598 177.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.46 162.0 35.6 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 128.056 2.542 . . . . 0.0 109.737 162.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 58.1 mt -72.14 124.92 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 O-C-N 121.157 -0.964 . . . . 0.0 109.044 177.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -106.03 -34.34 3.24 Favored Glycine 0 CA--C 1.527 0.784 0 C-N-CA 124.736 1.16 . . . . 0.0 114.718 -172.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 34.6 ttp85 -155.21 148.31 24.72 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.016 1.408 . . . . 0.0 111.784 -177.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 8.8 t -130.82 127.74 61.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 123.412 0.685 . . . . 0.0 109.267 161.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -118.9 86.93 2.64 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.53 1.532 . . . . 0.0 110.06 -174.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -65.02 -20.7 66.63 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.045 1.338 . . . . 0.0 113.126 -169.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 55.7 mtm180 -61.99 -25.82 67.86 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.981 1.313 . . . . 0.0 113.224 172.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 8.1 t -127.41 -7.06 5.81 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.492 1.517 . . . . 0.0 113.791 -178.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.21 24.1 74.27 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 125.345 1.45 . . . . 0.0 114.634 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 84.1 t -98.46 126.31 51.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 CA-C-N 118.628 1.214 . . . . 0.0 111.457 -175.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 83.1 mt -97.95 128.88 48.91 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 C-N-CA 127.15 2.18 . . . . 0.0 107.965 165.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 23.1 t -123.99 138.9 54.39 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.315 1.046 . . . . 0.0 111.117 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 23.5 mt -109.45 151.31 26.87 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.991 1.317 . . . . 0.0 112.276 -175.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -132.91 159.33 43.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 126.048 1.739 . . . . 0.0 111.445 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -70.66 128.73 37.07 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.339 -0.851 . . . . 0.0 111.94 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -82.83 -26.36 31.77 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 -178.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -146.63 153.63 40.54 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.54 1.936 . . . . 0.0 110.767 172.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -100.29 22.94 10.78 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.204 1.402 . . . . 0.0 112.981 177.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 34.6 ptt180 . . . . . 0 C--O 1.25 1.117 0 C-N-CA 127.177 2.191 . . . . 0.0 112.701 -171.331 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.574 0 CA-C-O 119.71 -0.494 . . . . 0.0 112.256 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -62.7 158.39 42.32 Favored 'Trans proline' 0 CA--C 1.542 0.895 0 C-N-CA 124.28 3.32 . . . . 0.0 113.926 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 73.63 -172.07 51.13 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 124.628 1.109 . . . . 0.0 114.529 179.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 20.1 m -66.79 149.8 50.04 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.743 1.217 . . . . 0.0 113.155 -177.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.0 ptt? -148.55 154.39 39.7 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.21 1.404 . . . . 0.0 110.982 173.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 14.3 t -95.12 135.74 36.31 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.546 0.738 . . . . 0.0 111.698 175.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -84.12 -51.59 6.95 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.641 0.777 . . . . 0.0 111.601 179.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -157.56 158.68 36.08 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.811 1.244 . . . . 0.0 112.436 166.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.8 tttt -106.56 130.68 54.29 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 126.276 1.83 . . . . 0.0 110.003 166.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 74.0 t -99.52 139.05 22.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 124.531 1.132 . . . . 0.0 109.15 166.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.4 p -139.68 139.29 38.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.2 1.0 . . . . 0.0 113.14 -178.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -149.22 165.14 32.78 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 127.146 2.178 . . . . 0.0 110.22 175.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.1 m -122.23 132.06 54.24 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 124.39 1.076 . . . . 0.0 110.861 177.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 39.7 mtmt -79.69 162.49 25.19 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.176 1.39 . . . . 0.0 113.105 -178.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.26 -18.68 61.89 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 123.898 0.879 . . . . 0.0 113.091 166.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -68.58 -11.23 59.71 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.111 1.365 . . . . 0.0 113.802 170.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.92 -8.13 64.06 Favored Glycine 0 CA--C 1.537 1.463 0 C-N-CA 125.371 1.463 . . . . 0.0 114.929 -173.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -88.62 149.74 21.28 Favored Glycine 0 CA--C 1.533 1.198 0 CA-C-N 118.361 1.081 . . . . 0.0 112.26 174.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 89.8 mtm-85 -82.15 157.11 24.14 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 122.035 -0.685 . . . . 0.0 112.567 173.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 24.2 t -117.86 136.5 54.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 125.789 1.636 . . . . 0.0 107.829 162.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -136.57 131.18 33.46 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.663 1.185 . . . . 0.0 110.267 -178.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 41.0 mt -128.16 106.24 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 124.77 1.228 . . . . 0.0 108.245 -171.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.17 169.75 38.47 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 124.044 0.83 . . . . 0.0 114.682 178.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 58.15 35.37 25.02 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.996 1.719 . . . . 0.0 113.791 173.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 68.8 t -74.08 130.73 35.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 125.697 1.599 . . . . 0.0 111.756 -177.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 71.3 mt -99.23 -25.88 14.36 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.413 1.485 . . . . 0.0 113.491 175.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -157.46 142.57 16.94 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.329 0.968 . . . . 0.0 111.668 -177.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.8 t -134.84 142.62 39.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 125.539 1.536 . . . . 0.0 110.026 174.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.88 142.68 46.65 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.66 1.584 . . . . 0.0 110.619 176.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.59 112.54 25.51 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.182 0.993 . . . . 0.0 109.286 164.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.5 tp10 -156.61 129.46 7.79 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.689 0.796 . . . . 0.0 113.136 -167.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.61 28.51 73.56 Favored Glycine 0 CA--C 1.536 1.361 0 N-CA-C 115.129 0.811 . . . . 0.0 115.129 171.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.42 20.35 78.77 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 124.321 0.962 . . . . 0.0 114.198 -173.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.01 154.68 48.28 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.803 1.641 . . . . 0.0 111.616 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 70.6 t -99.18 140.89 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 122.592 0.357 . . . . 0.0 110.119 164.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.3 mtt180 -132.51 139.0 47.73 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.486 1.514 . . . . 0.0 109.553 -169.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.2 t -138.32 146.65 26.45 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 C-N-CA 123.946 0.899 . . . . 0.0 111.874 -166.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 53.1 m -132.3 142.43 49.35 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 125.262 1.425 . . . . 0.0 110.867 172.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 72.6 p -123.64 167.09 14.42 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 126.261 1.824 . . . . 0.0 111.711 -177.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.51 -6.25 10.19 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 115.42 1.637 . . . . 0.0 115.42 176.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -78.79 2.56 19.44 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.645 1.178 . . . . 0.0 112.855 170.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 61.41 16.42 7.46 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 126.717 2.007 . . . . 0.0 114.188 -170.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -79.96 158.37 26.62 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 122.45 1.119 . . . . 0.0 112.786 173.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -132.39 138.92 47.88 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 126.103 1.761 . . . . 0.0 110.308 178.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -137.05 152.78 50.47 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.102 1.361 . . . . 0.0 111.164 -173.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -146.42 143.09 28.79 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.246 1.018 . . . . 0.0 112.129 177.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -137.73 87.08 17.53 Favored Pre-proline 0 CA--C 1.547 0.856 0 C-N-CA 125.777 1.631 . . . . 0.0 109.991 -170.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -67.87 145.55 68.85 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 123.273 2.649 . . . . 0.0 112.64 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.12 5.25 76.94 Favored Glycine 0 CA--C 1.533 1.164 0 C-N-CA 124.862 1.22 . . . . 0.0 114.352 -178.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.6 mt -112.86 160.43 18.04 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.333 1.453 . . . . 0.0 113.976 178.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.32 161.16 38.74 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 127.753 2.421 . . . . 0.0 110.283 167.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 55.1 mt -71.83 124.4 28.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 O-C-N 121.062 -1.024 . . . . 0.0 109.285 176.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -90.08 -53.07 2.43 Favored Glycine 0 CA--C 1.53 0.995 0 C-N-CA 124.622 1.106 . . . . 0.0 112.702 177.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.1 ptt85 -153.25 161.47 42.36 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.625 1.17 . . . . 0.0 112.837 176.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.9 t -129.75 127.9 64.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 124.625 1.17 . . . . 0.0 109.791 170.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -122.44 103.85 9.0 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.651 1.18 . . . . 0.0 111.263 -174.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -81.85 -4.96 57.76 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.003 1.321 . . . . 0.0 113.13 -170.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.8 mtm180 -71.44 -23.57 61.87 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.478 1.111 . . . . 0.0 111.888 168.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.3 m -125.89 -12.24 6.5 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.059 1.344 . . . . 0.0 113.846 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.07 29.29 62.88 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 124.374 0.988 . . . . 0.0 113.435 -176.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.7 t -102.95 127.2 56.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 124.597 1.159 . . . . 0.0 111.594 -173.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.2 mt -100.31 113.0 34.63 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 C-N-CA 126.908 2.083 . . . . 0.0 107.879 167.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 27.2 t -101.03 124.41 46.71 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 124.897 1.279 . . . . 0.0 111.099 -177.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.7 mt -99.81 152.39 20.18 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.31 1.044 . . . . 0.0 112.802 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -135.72 159.78 39.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 126.296 1.838 . . . . 0.0 110.328 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.2 mp0 -69.51 130.18 41.76 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.21 -0.931 . . . . 0.0 111.706 178.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.97 -13.72 59.13 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -176.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -145.03 149.23 34.75 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.004 1.722 . . . . 0.0 110.957 168.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -92.44 34.9 1.03 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.254 1.422 . . . . 0.0 114.11 -171.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.7 ptm85 . . . . . 0 C--O 1.252 1.189 0 C-N-CA 125.924 1.689 . . . . 0.0 113.182 -176.927 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.758 0 CA-C-O 118.72 -1.044 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_exo -63.51 -27.21 70.03 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 123.91 3.073 . . . . 0.0 115.378 -176.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . 77.72 -20.66 3.48 Favored Glycine 0 CA--C 1.541 1.704 0 C-N-CA 125.286 1.422 . . . . 0.0 115.012 -176.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 72.1 p -80.72 -12.85 59.4 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 126.125 1.77 . . . . 0.0 114.492 173.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptm -68.33 164.06 21.63 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.678 1.591 . . . . 0.0 113.157 176.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 58.1 m 62.38 -175.54 0.14 Allowed 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 126.561 1.944 . . . . 0.0 114.656 176.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 35.8 mtm -59.96 158.13 11.4 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.635 1.574 . . . . 0.0 114.23 -178.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.67 170.68 14.73 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-O 122.311 1.053 . . . . 0.0 113.349 177.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -132.12 135.2 46.24 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 125.657 1.583 . . . . 0.0 110.608 165.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 39.8 t -99.77 142.87 14.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 124.657 1.183 . . . . 0.0 110.455 -177.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 9.7 p -133.91 138.61 50.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 C-N-CA 125.421 1.488 . . . . 0.0 111.255 170.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -152.06 168.08 26.4 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.72 1.608 . . . . 0.0 111.904 -177.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.7 m -125.41 130.25 51.49 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.396 1.078 . . . . 0.0 110.047 173.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -73.08 162.14 29.81 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.188 1.395 . . . . 0.0 112.207 176.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.41 -24.33 66.44 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 113.299 0.852 . . . . 0.0 113.299 175.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -76.02 -3.28 34.86 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 124.953 1.301 . . . . 0.0 114.231 171.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.06 -1.55 88.75 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 125.861 1.696 . . . . 0.0 115.435 -176.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.77 134.66 14.85 Favored Glycine 0 CA--C 1.534 1.27 0 CA-C-N 118.707 1.253 . . . . 0.0 113.165 178.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 8.3 mmt85 -75.85 149.1 37.9 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.882 1.273 . . . . 0.0 112.416 174.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 90.8 t -138.33 137.81 43.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.597 1.559 . . . . 0.0 109.456 172.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -132.21 140.35 48.66 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.855 1.662 . . . . 0.0 110.921 177.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 52.8 mt -135.4 122.45 35.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.547 1.139 . . . . 0.0 109.84 -171.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -96.81 165.03 23.05 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 125.048 1.308 . . . . 0.0 114.405 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 50.87 45.86 26.9 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.199 1.799 . . . . 0.0 112.791 178.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 85.4 t -74.88 121.69 26.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 C-N-CA 124.422 1.089 . . . . 0.0 109.972 -178.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 15.8 tp -94.91 -32.15 13.35 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.102 1.761 . . . . 0.0 111.901 -172.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 62.5 tt0 -157.33 148.14 21.41 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.025 1.73 . . . . 0.0 111.287 174.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 5.4 m -131.23 152.23 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 C-N-CA 124.663 1.185 . . . . 0.0 111.395 164.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -139.36 140.1 37.39 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.597 1.559 . . . . 0.0 111.273 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -96.71 126.14 41.67 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.15 0.98 . . . . 0.0 108.79 166.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -157.0 126.92 6.28 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.536 -0.727 . . . . 0.0 112.353 -170.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.87 28.96 71.08 Favored Glycine 0 CA--C 1.541 1.664 0 N-CA-C 115.772 1.069 . . . . 0.0 115.772 169.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.7 23.21 67.72 Favored Glycine 0 CA--C 1.538 1.49 0 CA-C-N 118.429 1.115 . . . . 0.0 114.139 -173.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.87 166.78 23.72 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.614 1.966 . . . . 0.0 111.056 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 80.1 t -113.33 139.47 38.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 123.6 0.76 . . . . 0.0 110.72 166.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -117.48 143.5 45.99 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.711 1.605 . . . . 0.0 110.006 172.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 4.3 m -136.93 142.43 37.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.105 0.962 . . . . 0.0 111.522 -178.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 87.0 m -125.89 133.25 51.96 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.622 1.569 . . . . 0.0 110.234 -178.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 43.0 p -101.4 168.07 9.76 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 122.267 1.032 . . . . 0.0 113.142 -176.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 63.2 tp -49.76 -33.93 17.76 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.281 1.832 . . . . 0.0 113.838 170.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -80.6 6.63 12.07 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.892 1.677 . . . . 0.0 114.03 -176.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 30.6 t0 61.13 21.17 11.61 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.545 1.938 . . . . 0.0 114.032 -174.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -83.9 157.25 22.02 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 122.056 0.931 . . . . 0.0 111.267 165.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -140.7 139.63 34.77 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.685 1.194 . . . . 0.0 111.131 -176.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -135.04 153.73 51.96 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.282 1.433 . . . . 0.0 110.768 -176.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -138.7 141.57 38.96 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.335 1.054 . . . . 0.0 112.129 -177.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -137.27 93.47 12.96 Favored Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 125.281 1.432 . . . . 0.0 110.459 -170.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -61.37 146.17 97.49 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 123.888 3.059 . . . . 0.0 113.777 176.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.32 8.05 87.64 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 124.804 1.192 . . . . 0.0 114.57 177.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 62.3 mt -108.53 162.07 14.47 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 118.766 1.283 . . . . 0.0 113.254 177.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.44 159.21 42.7 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.545 2.338 . . . . 0.0 110.003 166.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 26.3 mt -71.96 112.76 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 174.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -85.36 -45.81 5.74 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 123.809 0.719 . . . . 0.0 113.325 -178.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -153.61 159.56 42.16 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.198 1.399 . . . . 0.0 112.793 178.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 11.7 t -130.61 114.44 28.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 126.014 1.725 . . . . 0.0 108.499 171.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -101.67 88.56 3.44 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.923 1.289 . . . . 0.0 109.698 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -65.32 -16.75 63.91 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -172.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 55.5 mtt85 -59.97 -24.54 64.5 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.125 1.37 . . . . 0.0 113.463 174.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 20.8 t -134.33 -0.78 2.94 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.416 1.886 . . . . 0.0 112.895 177.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.26 24.75 74.83 Favored Glycine 0 CA--C 1.533 1.198 0 O-C-N 120.566 -1.334 . . . . 0.0 113.922 -175.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 93.8 t -81.56 118.14 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 CA-C-N 118.24 1.02 . . . . 0.0 111.337 -177.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 78.7 mt -97.07 119.09 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 125.19 1.396 . . . . 0.0 107.908 169.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 12.1 t -107.84 125.01 50.94 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.621 0.768 . . . . 0.0 111.082 177.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 23.7 mt -97.87 142.84 29.12 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.691 0.796 . . . . 0.0 111.256 178.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.6 pp -128.92 156.73 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 125.852 1.661 . . . . 0.0 111.159 -177.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 53.9 mp0 -66.25 118.12 9.5 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.376 1.071 . . . . 0.0 111.853 178.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -70.79 -22.45 62.36 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.075 0.95 . . . . 0.0 113.186 -176.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -90.43 3.88 52.56 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.821 1.648 . . . . 0.0 114.001 172.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 8.6 m120 51.47 32.04 8.23 Favored 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 128.881 2.872 . . . . 0.0 114.649 176.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 96.9 mtt-85 . . . . . 0 C--O 1.251 1.181 0 C-N-CA 126.249 1.82 . . . . 0.0 112.412 -177.285 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.618 0 N-CA-C 111.782 -0.527 . . . . 0.0 111.782 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -73.49 -16.02 24.5 Favored 'Trans proline' 0 CA--C 1.543 0.966 0 C-N-CA 123.79 2.993 . . . . 0.0 114.434 -176.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 72.69 -150.78 45.27 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.342 0.972 . . . . 0.0 112.687 -172.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 32.6 t -64.56 133.5 52.46 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.814 0.846 . . . . 0.0 112.065 177.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ptm -161.02 144.3 13.0 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.644 1.977 . . . . 0.0 108.183 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 93.1 m -93.01 139.24 30.73 Favored 'General case' 0 C--O 1.238 0.497 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -173.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -82.86 162.87 21.47 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.501 1.52 . . . . 0.0 112.75 175.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.55 174.31 7.67 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.95 1.3 . . . . 0.0 113.346 172.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -130.33 136.84 49.53 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.226 1.81 . . . . 0.0 111.414 169.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.2 t -100.55 144.09 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 125.161 1.384 . . . . 0.0 110.469 -178.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.6 p -139.45 144.16 29.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 125.176 1.39 . . . . 0.0 111.535 172.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 pp -145.99 157.09 43.88 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.579 1.152 . . . . 0.0 112.011 179.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.6 m -121.46 127.69 51.36 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.941 1.296 . . . . 0.0 109.416 167.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.8 mtmt -77.47 161.72 27.73 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.731 1.212 . . . . 0.0 111.984 177.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.12 -19.79 61.91 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 123.601 0.761 . . . . 0.0 112.837 166.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -71.39 -10.98 60.63 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.553 1.541 . . . . 0.0 113.656 172.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.46 -8.01 66.44 Favored Glycine 0 CA--C 1.54 1.599 0 C-N-CA 125.459 1.504 . . . . 0.0 114.754 -172.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.55 160.29 51.89 Favored Glycine 0 CA--C 1.534 1.259 0 CA-C-N 118.727 1.264 . . . . 0.0 113.253 173.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -127.05 152.69 46.94 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.483 1.513 . . . . 0.0 113.026 -177.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 26.2 t -138.65 141.76 36.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 C-N-CA 125.398 1.479 . . . . 0.0 109.689 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -131.47 140.65 49.62 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.44 1.496 . . . . 0.0 110.712 178.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 31.5 mt -138.41 114.25 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.715 1.206 . . . . 0.0 109.926 -171.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.06 165.13 34.28 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.394 0.997 . . . . 0.0 114.577 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 56.26 38.13 29.5 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.001 1.72 . . . . 0.0 115.396 170.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.5 p -76.36 134.05 29.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.182 0.993 . . . . 0.0 111.666 -178.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.2 mt -91.67 -30.26 16.41 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.143 1.377 . . . . 0.0 113.178 173.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -158.85 145.23 16.95 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.929 0.891 . . . . 0.0 112.254 -175.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.0 m -133.94 148.55 30.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 125.189 1.396 . . . . 0.0 110.674 167.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.48 137.33 35.44 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.814 1.246 . . . . 0.0 111.492 175.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -99.23 118.47 35.99 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.916 1.686 . . . . 0.0 109.275 171.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -160.85 132.99 5.95 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.634 1.174 . . . . 0.0 110.953 -164.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.24 24.84 70.8 Favored Glycine 0 CA--C 1.537 1.421 0 N-CA-C 114.922 0.729 . . . . 0.0 114.922 174.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.51 21.05 75.93 Favored Glycine 0 CA--C 1.54 1.645 0 CA-C-N 118.326 1.063 . . . . 0.0 114.239 -173.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.73 167.66 21.49 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 126.12 1.768 . . . . 0.0 111.251 179.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.9 t -116.81 131.55 69.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 122.975 0.51 . . . . 0.0 111.768 166.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 -105.34 149.28 26.2 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 126.172 1.789 . . . . 0.0 111.37 170.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.4 m -137.21 151.3 26.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 125.434 1.494 . . . . 0.0 111.325 178.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 84.9 m -134.56 130.61 36.81 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 125.493 1.517 . . . . 0.0 112.029 -177.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 36.6 p -104.23 167.3 9.84 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 125.026 1.33 . . . . 0.0 112.982 179.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -63.46 -13.16 37.59 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 174.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -79.45 3.2 19.22 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.485 1.114 . . . . 0.0 113.331 174.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 60.95 11.24 3.2 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 127.162 2.185 . . . . 0.0 113.942 -165.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -80.98 143.82 32.28 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.677 1.191 . . . . 0.0 111.592 173.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -125.68 152.27 45.47 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.785 1.234 . . . . 0.0 112.584 174.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -134.64 155.9 49.68 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.425 1.49 . . . . 0.0 110.415 173.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.47 142.05 33.65 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.482 1.113 . . . . 0.0 111.948 -175.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -137.83 94.17 11.71 Favored Pre-proline 0 CA--C 1.544 0.723 0 C-N-CA 124.899 1.28 . . . . 0.0 111.359 -169.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -62.73 145.51 94.96 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 123.537 2.824 . . . . 0.0 113.808 177.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.71 5.04 86.97 Favored Glycine 0 CA--C 1.535 1.33 0 C-N-CA 125.015 1.293 . . . . 0.0 114.594 175.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 66.2 mt -107.7 161.88 14.49 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.232 1.413 . . . . 0.0 113.218 178.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.57 161.25 38.19 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.222 1.809 . . . . 0.0 110.544 164.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.3 mt -74.11 119.09 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 175.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -98.4 -34.58 5.26 Favored Glycine 0 CA--C 1.529 0.957 0 C-N-CA 124.174 0.892 . . . . 0.0 115.106 -177.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 39.4 ttp85 -157.03 143.82 18.42 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 118.656 1.228 . . . . 0.0 111.231 -174.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 42.7 t -132.81 125.7 52.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 124.936 1.294 . . . . 0.0 108.465 176.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -134.49 97.36 3.79 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.545 1.138 . . . . 0.0 110.857 -168.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -75.5 -7.3 53.79 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.351 1.46 . . . . 0.0 113.628 -169.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 66.7 mtt85 -63.61 -28.36 69.87 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.568 1.147 . . . . 0.0 112.708 173.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.2 t -132.4 4.16 3.97 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.84 1.656 . . . . 0.0 112.492 176.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 64.53 33.6 87.66 Favored Glycine 0 CA--C 1.535 1.329 0 O-C-N 120.675 -1.266 . . . . 0.0 113.526 -176.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.7 t -85.89 130.9 35.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 CA-C-N 118.28 1.04 . . . . 0.0 111.026 -178.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 88.0 mt -113.28 118.33 57.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 125.981 1.713 . . . . 0.0 107.657 169.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.0 t -116.49 125.42 51.92 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.498 1.119 . . . . 0.0 111.928 -174.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.4 mp -104.26 150.59 24.28 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.665 1.586 . . . . 0.0 111.205 -178.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.05 165.02 33.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.202 1.401 . . . . 0.0 111.363 178.115 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -68.02 118.1 10.75 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.552 0.741 . . . . 0.0 110.402 173.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -77.2 -21.24 54.2 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -175.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -150.92 157.85 43.42 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 126.751 2.02 . . . . 0.0 110.849 164.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 51.6 p30 -142.06 10.33 1.94 Allowed 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 -176.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 96.5 mtm-85 . . . . . 0 C--O 1.255 1.379 0 C-N-CA 125.075 1.35 . . . . 0.0 112.171 176.958 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.577 0 CA-C-O 119.438 -0.646 . . . . 0.0 111.715 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo -60.31 159.34 27.27 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 124.061 3.174 . . . . 0.0 114.228 177.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -172.03 169.34 42.44 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.102 1.334 . . . . 0.0 113.376 177.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 17.1 t -156.56 165.68 35.58 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.085 1.354 . . . . 0.0 111.947 -178.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 94.3 mtp -65.98 158.79 27.27 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.205 1.402 . . . . 0.0 113.073 176.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 46.0 t -139.33 142.15 37.65 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.995 1.318 . . . . 0.0 111.203 177.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -121.12 152.29 38.88 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.735 1.614 . . . . 0.0 112.079 -173.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.97 170.31 16.42 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 124.612 1.165 . . . . 0.0 113.33 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -121.52 129.4 52.88 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.83 1.252 . . . . 0.0 110.725 161.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 74.4 t -99.73 143.3 13.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.861 1.264 . . . . 0.0 110.086 -178.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.9 p -134.5 143.82 36.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.174 1.39 . . . . 0.0 111.366 171.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 pp -147.86 157.01 43.31 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.278 1.431 . . . . 0.0 112.304 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 16.7 m -112.58 131.51 55.58 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.932 1.293 . . . . 0.0 110.795 175.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 38.3 mtmt -79.84 161.82 25.42 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.457 1.503 . . . . 0.0 112.28 177.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.42 -21.74 64.39 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 123.471 0.709 . . . . 0.0 112.872 166.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -69.38 -11.26 60.67 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.166 1.386 . . . . 0.0 114.153 171.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.0 -9.93 54.91 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 125.22 1.39 . . . . 0.0 114.848 -171.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.04 167.75 54.45 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.514 1.054 . . . . 0.0 112.804 170.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -127.47 152.94 46.92 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.227 1.411 . . . . 0.0 113.225 -178.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 95.1 t -133.2 142.02 43.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 126.165 1.786 . . . . 0.0 109.728 -177.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -130.03 149.62 51.67 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.137 1.375 . . . . 0.0 112.127 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 25.1 mt -137.15 122.66 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 125.52 1.528 . . . . 0.0 109.401 -178.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -94.74 168.14 27.51 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 124.464 1.031 . . . . 0.0 114.232 176.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 56.41 35.87 26.61 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 125.877 1.671 . . . . 0.0 114.119 173.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 72.8 t -75.72 119.01 22.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 125.555 1.542 . . . . 0.0 111.944 -175.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 58.1 mt -79.22 -35.16 42.09 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.667 1.187 . . . . 0.0 112.709 169.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 72.5 tt0 -156.45 147.33 21.95 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 119.182 0.901 . . . . 0.0 113.037 -169.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 46.9 t -134.41 138.62 49.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 125.805 1.642 . . . . 0.0 109.789 174.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 37.8 mtt85 -139.36 128.63 24.03 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.529 1.132 . . . . 0.0 110.865 -171.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.21 120.52 40.88 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.639 1.175 . . . . 0.0 110.421 171.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -158.92 138.07 11.37 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.469 1.108 . . . . 0.0 112.05 -177.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.52 25.95 73.74 Favored Glycine 0 CA--C 1.538 1.493 0 N-CA-C 115.242 0.857 . . . . 0.0 115.242 172.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.18 22.41 76.34 Favored Glycine 0 CA--C 1.539 1.532 0 CA-C-N 117.988 0.894 . . . . 0.0 114.447 -174.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.21 157.91 44.61 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.762 1.625 . . . . 0.0 111.271 -179.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 92.8 t -111.44 142.31 24.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 123.817 0.847 . . . . 0.0 111.342 169.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 58.5 mtt85 -127.74 150.47 49.78 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 126.259 1.823 . . . . 0.0 110.387 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 21.9 t -136.77 144.0 33.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 124.67 1.188 . . . . 0.0 110.957 -172.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 85.0 m -131.4 134.47 46.29 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 124.463 1.105 . . . . 0.0 111.484 176.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 30.8 p -107.14 166.98 10.22 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.656 1.582 . . . . 0.0 112.51 178.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.21 -7.84 26.95 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 115.151 1.538 . . . . 0.0 115.151 174.7 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -79.4 0.52 28.92 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.473 1.109 . . . . 0.0 112.848 169.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 26.5 t0 59.34 22.75 11.16 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.144 1.778 . . . . 0.0 113.416 -168.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -84.5 141.82 30.48 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.871 1.268 . . . . 0.0 110.773 172.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -122.38 150.03 42.98 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.083 1.353 . . . . 0.0 112.367 -175.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -136.67 155.49 49.81 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.584 1.553 . . . . 0.0 111.156 -179.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.82 138.36 27.01 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.208 1.403 . . . . 0.0 112.108 177.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -139.63 90.62 11.12 Favored Pre-proline 0 CA--C 1.542 0.636 0 C-N-CA 125.92 1.688 . . . . 0.0 110.925 -172.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -67.46 146.23 73.78 Favored 'Trans proline' 0 CA--C 1.535 0.561 0 C-N-CA 123.061 2.507 . . . . 0.0 112.136 177.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.01 0.72 88.98 Favored Glycine 0 CA--C 1.538 1.493 0 C-N-CA 124.928 1.251 . . . . 0.0 114.853 -178.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 36.4 mt -100.77 162.43 12.91 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.082 1.441 . . . . 0.0 113.743 177.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.52 157.32 45.67 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 127.673 2.389 . . . . 0.0 109.786 165.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 42.6 mt -72.31 118.05 16.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 O-C-N 121.046 -1.034 . . . . 0.0 109.279 176.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -98.01 -35.7 4.98 Favored Glycine 0 CA--C 1.533 1.166 0 CA-C-O 119.382 -0.677 . . . . 0.0 114.512 -173.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 46.7 ttt-85 -158.44 148.95 20.18 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 118.186 0.993 . . . . 0.0 111.964 -173.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 10.9 t -131.57 131.53 62.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.584 1.153 . . . . 0.0 109.466 165.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -123.42 111.06 15.89 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 125.718 1.607 . . . . 0.0 109.675 176.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -81.77 -14.62 56.19 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.541 1.137 . . . . 0.0 113.314 -174.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 38.2 mtm180 -67.36 -38.17 84.36 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.821 1.248 . . . . 0.0 111.621 175.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 12.2 t -106.42 -12.89 15.51 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.022 1.329 . . . . 0.0 114.005 172.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.26 27.32 66.23 Favored Glycine 0 CA--C 1.538 1.493 0 O-C-N 120.71 -1.244 . . . . 0.0 113.98 -172.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 54.8 t -87.22 138.57 18.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 125.446 1.498 . . . . 0.0 111.494 -177.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 87.8 mt -118.07 126.3 74.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 C-N-CA 125.968 1.707 . . . . 0.0 108.06 165.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 16.4 m -111.9 128.02 56.02 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.338 0.655 . . . . 0.0 110.705 176.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 27.1 mt -100.34 146.43 26.96 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 124.713 1.205 . . . . 0.0 111.409 174.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -133.53 156.66 41.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 125.46 1.504 . . . . 0.0 110.719 -177.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 13.0 mp0 -66.65 131.22 45.51 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.321 -0.862 . . . . 0.0 110.948 175.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.51 -4.09 24.81 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 -163.396 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -118.09 8.29 12.4 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.793 1.637 . . . . 0.0 114.885 173.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -110.12 44.17 1.26 Allowed 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.826 2.05 . . . . 0.0 110.748 178.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 54.0 ptt85 . . . . . 0 C--O 1.25 1.12 0 C-N-CA 126.446 1.898 . . . . 0.0 113.366 -172.221 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.6 0 CA-C-O 118.509 -1.162 . . . . 0.0 111.422 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -65.05 -34.79 45.59 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 123.414 2.743 . . . . 0.0 114.14 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -78.69 148.96 32.67 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 124.355 0.979 . . . . 0.0 112.82 174.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 89.0 p -154.58 160.38 41.45 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.099 0.96 . . . . 0.0 113.309 -178.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.68 163.53 39.78 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.728 1.611 . . . . 0.0 111.397 175.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 40.8 t -81.33 152.39 27.56 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.749 1.22 . . . . 0.0 111.998 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -65.17 162.35 17.28 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.796 0.839 . . . . 0.0 111.98 169.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.22 -178.85 2.17 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.694 1.198 . . . . 0.0 113.662 177.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -131.58 148.32 52.6 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.432 1.893 . . . . 0.0 111.487 163.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.8 t -99.38 146.01 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.264 1.025 . . . . 0.0 110.424 175.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.2 p -140.95 141.76 31.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 124.846 1.258 . . . . 0.0 112.381 178.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 pp -151.78 157.57 42.15 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.795 1.638 . . . . 0.0 112.842 -178.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.7 m -116.22 133.39 56.08 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.217 1.407 . . . . 0.0 110.715 172.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -84.46 163.1 19.66 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.344 1.858 . . . . 0.0 112.113 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.38 -26.61 67.95 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 179.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -80.78 -0.23 37.72 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 124.803 1.241 . . . . 0.0 114.188 173.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.1 -2.1 88.05 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 125.215 1.388 . . . . 0.0 115.57 -179.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.5 163.45 54.2 Favored Glycine 0 CA--C 1.536 1.397 0 CA-C-N 118.746 1.273 . . . . 0.0 112.381 169.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -128.81 152.44 48.47 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.42 1.088 . . . . 0.0 113.15 -177.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.5 t -134.7 138.11 49.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 125.318 1.447 . . . . 0.0 109.654 -178.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.2 mp0 -125.7 142.58 51.44 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 124.913 1.285 . . . . 0.0 110.944 175.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -126.94 96.08 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 125.412 1.485 . . . . 0.0 109.194 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.27 163.01 44.56 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 124.16 0.886 . . . . 0.0 113.843 178.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 53.14 40.99 32.13 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.072 1.349 . . . . 0.0 112.778 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.5 p -71.4 136.65 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 124.048 0.939 . . . . 0.0 111.46 179.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 33.4 mt -101.2 -31.11 11.17 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.797 0.839 . . . . 0.0 112.738 174.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -154.16 143.31 21.26 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.318 1.047 . . . . 0.0 112.405 -177.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.2 t -136.21 142.2 39.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 126.478 1.911 . . . . 0.0 109.897 174.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -135.64 138.69 43.12 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.83 1.652 . . . . 0.0 111.272 174.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.44 134.04 35.33 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.779 1.232 . . . . 0.0 109.621 161.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -129.4 177.97 6.8 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.839 1.656 . . . . 0.0 111.105 -176.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.53 -7.34 10.44 Favored Glycine 0 CA--C 1.538 1.524 0 N-CA-C 117.227 1.651 . . . . 0.0 117.227 -171.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -158.12 11.1 0.22 Allowed Glycine 0 CA--C 1.538 1.526 0 CA-C-N 118.802 1.301 . . . . 0.0 115.852 173.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -161.75 160.04 27.91 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 119.291 1.546 . . . . 0.0 112.789 -174.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 56.7 t -94.4 142.54 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.318 0.647 . . . . 0.0 109.865 155.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 51.5 mtt85 -129.11 143.94 51.03 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.961 1.704 . . . . 0.0 110.965 173.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -152.55 141.76 14.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 124.294 1.038 . . . . 0.0 112.509 -169.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.4 m -127.05 139.14 53.22 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.471 1.508 . . . . 0.0 111.732 -177.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 34.0 p -109.01 167.46 10.08 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.443 1.497 . . . . 0.0 114.331 -171.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.0 tt -55.16 -28.71 54.78 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.77 2.028 . . . . 0.0 113.373 171.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -80.05 6.73 10.7 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.183 1.393 . . . . 0.0 113.731 178.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 61.32 11.25 3.52 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 127.251 2.221 . . . . 0.0 114.661 -170.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -81.86 146.14 30.01 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.496 1.119 . . . . 0.0 111.07 172.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -135.3 137.36 42.4 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.016 1.726 . . . . 0.0 111.152 -174.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -128.33 152.13 48.51 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 125.689 1.596 . . . . 0.0 111.53 -171.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -130.4 139.71 50.61 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 125.133 1.373 . . . . 0.0 111.764 172.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -133.35 91.63 26.6 Favored Pre-proline 0 CA--C 1.543 0.698 0 C-N-CA 125.701 1.601 . . . . 0.0 110.491 -176.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -66.4 148.18 83.78 Favored 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 123.494 2.796 . . . . 0.0 113.069 -176.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.17 -1.14 76.89 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 125.978 1.752 . . . . 0.0 115.397 -178.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 34.9 mt -96.87 162.64 13.32 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 119.379 1.59 . . . . 0.0 113.832 178.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.03 160.47 39.87 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 127.883 2.473 . . . . 0.0 110.448 164.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.5 mt -72.14 118.03 16.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 O-C-N 121.321 -0.862 . . . . 0.0 109.036 175.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.47 -42.4 4.24 Favored Glycine 0 CA--C 1.53 1.016 0 C-N-CA 123.848 0.737 . . . . 0.0 113.848 -175.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -156.52 147.8 22.32 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.631 1.172 . . . . 0.0 112.148 -174.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 39.1 t -131.52 114.74 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 125.956 1.702 . . . . 0.0 109.202 174.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -98.14 107.57 20.07 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 125.074 1.35 . . . . 0.0 110.496 174.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -76.42 -20.66 56.87 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 121.767 -0.583 . . . . 0.0 111.531 173.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 70.1 mtm180 -66.56 -22.79 66.15 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 125.082 1.353 . . . . 0.0 113.896 174.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 96.2 p -133.3 -9.52 2.92 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 -177.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.39 42.04 43.11 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 124.251 0.929 . . . . 0.0 113.411 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.5 t -122.0 126.64 74.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 CA-C-N 118.343 1.071 . . . . 0.0 111.752 -176.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 98.9 mt -104.11 109.91 28.72 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 126.369 1.867 . . . . 0.0 108.186 171.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.6 t -98.15 125.64 43.26 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.511 1.124 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 25.2 mt -96.93 151.09 20.03 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.11 0.964 . . . . 0.0 111.693 176.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -133.66 155.02 39.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 126.188 1.795 . . . . 0.0 110.685 179.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.5 mp0 -67.78 124.25 22.79 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.575 0.75 . . . . 0.0 110.204 173.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.48 -16.48 61.29 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 -168.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -72.11 5.58 2.67 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 115.444 1.646 . . . . 0.0 115.444 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -87.79 7.14 31.84 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 126.799 2.04 . . . . 0.0 113.549 170.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 82.9 mmt-85 . . . . . 0 C--O 1.249 1.034 0 C-N-CA 126.484 1.914 . . . . 0.0 111.067 -177.992 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.389 0 CA-C-O 119.27 -0.739 . . . . 0.0 111.537 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -66.72 155.37 70.8 Favored 'Trans proline' 0 CA--C 1.537 0.667 0 C-N-CA 123.564 2.843 . . . . 0.0 113.284 -177.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . 79.14 -16.08 9.93 Favored Glycine 0 CA--C 1.538 1.519 0 C-N-CA 125.629 1.585 . . . . 0.0 115.936 176.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 8.7 t 63.79 -36.32 0.17 Allowed 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 128.178 2.591 . . . . 0.0 116.813 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 3.0 tmm? -62.78 148.52 46.61 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.827 2.051 . . . . 0.0 112.255 177.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 45.6 t -142.7 133.3 25.17 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.028 0.931 . . . . 0.0 111.745 173.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 5.0 mpp? -70.38 160.42 32.34 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.455 1.502 . . . . 0.0 113.944 -177.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.47 -170.97 0.72 Allowed 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.239 1.416 . . . . 0.0 112.652 168.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -141.06 152.84 45.15 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.428 1.891 . . . . 0.0 111.731 168.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 14.9 t -104.76 146.68 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 124.908 1.283 . . . . 0.0 110.953 176.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 8.6 p -139.01 144.92 28.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 125.569 1.548 . . . . 0.0 112.447 173.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 pp -143.85 158.65 43.54 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.161 1.784 . . . . 0.0 110.369 169.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 26.1 m -122.14 130.66 53.43 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.17 0.988 . . . . 0.0 111.27 177.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -81.57 161.92 23.35 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.314 1.846 . . . . 0.0 112.314 -178.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.99 -24.58 67.12 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.057 0.943 . . . . 0.0 113.405 173.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -74.07 -5.83 43.94 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.522 1.529 . . . . 0.0 114.178 172.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.61 -3.93 86.46 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.708 1.623 . . . . 0.0 115.607 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -84.22 151.08 26.68 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 124.697 1.142 . . . . 0.0 112.222 172.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 86.2 mtm-85 -96.83 160.1 14.55 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 117.895 0.847 . . . . 0.0 112.849 176.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 62.2 t -127.16 135.54 63.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.812 1.645 . . . . 0.0 108.431 165.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -137.76 144.86 41.82 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.608 1.163 . . . . 0.0 112.078 -171.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -132.57 108.52 13.49 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 125.134 1.374 . . . . 0.0 110.239 -175.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.37 167.29 42.92 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 124.24 0.924 . . . . 0.0 113.605 174.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 55.44 35.88 25.97 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.205 1.402 . . . . 0.0 114.174 175.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 11.3 p -75.16 134.28 29.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 124.465 1.106 . . . . 0.0 112.245 -176.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 75.9 mt -97.09 -29.89 13.36 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.257 1.423 . . . . 0.0 112.468 176.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -159.36 139.07 11.62 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.06 0.944 . . . . 0.0 111.986 -168.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 9.0 t -139.73 137.54 39.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 125.606 1.562 . . . . 0.0 109.996 176.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 4.4 ptt85 -153.22 141.89 20.94 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.366 1.066 . . . . 0.0 112.801 -172.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -97.86 127.66 43.96 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.128 1.371 . . . . 0.0 110.15 176.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -151.9 125.01 8.65 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.389 1.076 . . . . 0.0 111.343 -168.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.19 24.13 62.88 Favored Glycine 0 CA--C 1.538 1.524 0 N-CA-C 115.899 1.12 . . . . 0.0 115.899 172.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.31 16.28 69.52 Favored Glycine 0 CA--C 1.537 1.439 0 CA-C-N 118.53 1.165 . . . . 0.0 114.777 -173.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.77 168.44 15.12 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 127.16 2.184 . . . . 0.0 111.336 174.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 92.0 t -115.0 139.88 39.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 123.867 0.867 . . . . 0.0 110.662 165.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -118.93 144.15 46.6 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.683 1.993 . . . . 0.0 110.56 173.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -145.81 134.28 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 124.249 1.02 . . . . 0.0 111.244 -176.278 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 5.2 m -127.29 134.79 49.99 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.501 1.121 . . . . 0.0 112.234 -168.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 36.2 p -106.71 167.31 9.95 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 125.552 1.541 . . . . 0.0 113.448 -175.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.65 -7.16 24.49 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 115.373 1.62 . . . . 0.0 115.373 172.305 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -79.24 1.1 25.94 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.172 0.989 . . . . 0.0 112.822 170.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 26.7 t0 59.15 19.11 7.07 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.513 1.925 . . . . 0.0 113.683 -166.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -88.76 135.66 33.4 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.203 1.401 . . . . 0.0 110.356 172.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -124.35 134.17 53.23 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.738 1.215 . . . . 0.0 111.335 -179.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -108.17 151.1 26.37 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 127.16 2.184 . . . . 0.0 110.665 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -139.84 137.75 35.18 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.386 1.074 . . . . 0.0 111.699 177.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -137.25 91.93 14.16 Favored Pre-proline 0 CA--C 1.54 0.579 0 C-N-CA 125.338 1.455 . . . . 0.0 110.693 -172.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -69.39 145.88 60.74 Favored 'Trans proline' 0 CA--C 1.535 0.553 0 C-N-CA 123.263 2.642 . . . . 0.0 112.872 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.11 -1.11 89.15 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 125.183 1.373 . . . . 0.0 115.382 -176.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 24.6 mt -98.36 163.99 12.47 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 118.77 1.285 . . . . 0.0 113.777 178.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.88 159.41 42.23 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 128.266 2.626 . . . . 0.0 109.925 163.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 52.9 mt -71.74 116.3 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 175.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.09 -39.75 3.95 Favored Glycine 0 CA--C 1.53 1.018 0 C-N-CA 124.53 1.062 . . . . 0.0 114.921 -172.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -155.32 150.77 27.19 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.554 1.142 . . . . 0.0 111.765 -174.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 33.5 t -140.14 132.44 33.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 125.523 1.529 . . . . 0.0 109.783 175.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.09 115.09 19.94 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.337 1.055 . . . . 0.0 110.756 173.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -80.12 -23.2 41.36 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.812 1.245 . . . . 0.0 112.583 -177.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -65.71 -41.41 92.32 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.527 1.131 . . . . 0.0 112.254 171.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 18.4 t -88.76 -25.37 22.32 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.176 0.99 . . . . 0.0 113.403 177.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.75 48.99 11.21 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 124.325 0.964 . . . . 0.0 112.463 -174.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 9.6 p -136.13 144.02 34.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.797 0.839 . . . . 0.0 113.112 -173.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 97.7 mt -116.58 132.93 64.8 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 127.546 2.339 . . . . 0.0 107.835 172.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 36.4 t -125.36 126.38 44.95 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.968 1.307 . . . . 0.0 111.404 -176.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 22.1 mt -99.85 149.31 23.52 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.867 1.267 . . . . 0.0 111.86 -177.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -132.54 154.24 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 125.812 1.645 . . . . 0.0 110.842 179.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -69.32 125.28 26.21 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.874 -0.517 . . . . 0.0 110.85 172.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -74.0 -15.25 61.1 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -175.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -70.56 5.87 1.66 Allowed 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.944 1.698 . . . . 0.0 115.493 175.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -78.98 -13.03 60.04 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.134 1.374 . . . . 0.0 113.451 167.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 33.8 mtp-105 . . . . . 0 C--O 1.251 1.156 0 C-N-CA 126.42 1.888 . . . . 0.0 112.3 176.946 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.771 0 N-CA-C 112.146 -0.381 . . . . 0.0 112.146 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -68.58 154.54 71.36 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 C-N-CA 124.151 3.234 . . . . 0.0 112.611 179.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -163.74 25.74 0.2 Allowed Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.206 0.908 . . . . 0.0 114.834 -178.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 15.8 m -68.93 -8.65 46.3 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 115.876 1.806 . . . . 0.0 115.876 -170.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ptm -142.23 160.12 40.87 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.243 1.817 . . . . 0.0 111.313 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.2 t -142.89 173.87 11.17 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.072 1.349 . . . . 0.0 111.676 -176.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -137.81 149.68 46.56 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.818 1.647 . . . . 0.0 110.886 172.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -101.91 161.57 13.57 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.892 1.277 . . . . 0.0 113.043 178.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 72.1 tttt -91.57 127.68 37.11 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.186 0.995 . . . . 0.0 108.953 156.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.3 t -104.91 138.11 31.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.807 0.843 . . . . 0.0 109.994 171.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.8 p -134.4 139.94 46.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 125.023 1.329 . . . . 0.0 111.683 178.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 pp -147.12 163.03 37.6 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.993 1.717 . . . . 0.0 111.335 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.9 m -122.37 129.95 52.63 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.161 0.984 . . . . 0.0 110.68 171.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -74.48 165.36 25.33 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.621 1.568 . . . . 0.0 112.219 -179.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.52 -24.52 66.67 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 124.164 0.986 . . . . 0.0 113.645 175.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -79.29 -2.0 39.29 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.075 1.35 . . . . 0.0 114.281 172.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.46 -1.65 88.3 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 125.534 1.54 . . . . 0.0 115.714 179.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -85.63 138.81 16.68 Favored Glycine 0 CA--C 1.532 1.112 0 CA-C-N 118.899 1.35 . . . . 0.0 112.445 175.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 80.0 mtm-85 -80.07 157.63 26.66 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 118.446 1.123 . . . . 0.0 113.294 177.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 91.8 t -130.57 133.75 63.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 125.88 1.672 . . . . 0.0 108.497 164.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -130.97 131.02 44.13 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.391 1.476 . . . . 0.0 110.127 -176.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.9 mt -132.22 109.97 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 125.028 1.331 . . . . 0.0 109.807 -168.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.29 163.22 40.94 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 124.021 0.82 . . . . 0.0 113.662 176.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 55.48 38.73 30.66 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.806 1.642 . . . . 0.0 114.772 172.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 80.2 t -75.3 118.96 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.436 1.094 . . . . 0.0 110.766 174.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 50.7 mt -74.54 -38.3 62.78 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.206 1.402 . . . . 0.0 112.206 175.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -153.59 144.53 22.78 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.797 1.239 . . . . 0.0 111.249 -179.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.7 p -133.25 137.34 53.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 126.186 1.795 . . . . 0.0 110.451 175.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -133.33 138.06 46.2 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.749 1.619 . . . . 0.0 111.859 -175.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.46 112.32 23.91 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 163.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 58.3 tt0 -151.43 122.59 7.71 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.745 0.818 . . . . 0.0 112.194 -166.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 64.21 32.46 84.27 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 124.357 0.979 . . . . 0.0 114.835 173.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.38 16.67 77.69 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 124.311 0.958 . . . . 0.0 115.085 -177.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.77 152.38 46.55 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.602 1.561 . . . . 0.0 110.975 177.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.2 t -91.99 137.96 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 O-C-N 121.989 -0.444 . . . . 0.0 110.631 163.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.2 mtt180 -131.7 139.86 49.14 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 126.065 1.746 . . . . 0.0 110.3 -171.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.1 m -131.23 150.23 34.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 124.749 1.219 . . . . 0.0 112.587 -174.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 58.4 m -125.17 126.88 45.95 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.785 1.234 . . . . 0.0 110.117 168.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 43.6 p -96.06 160.49 14.42 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.322 1.049 . . . . 0.0 113.273 -178.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.7 tt -52.58 -29.19 24.42 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.205 1.802 . . . . 0.0 113.359 166.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -77.72 5.56 9.12 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.36 1.464 . . . . 0.0 113.909 176.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.315 2.0 p30 59.3 10.89 1.92 Allowed 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 129.095 2.958 . . . . 0.0 115.244 -172.465 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -79.61 145.11 33.24 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.8 1.24 . . . . 0.0 111.18 169.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -127.02 148.69 50.11 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.256 1.422 . . . . 0.0 112.146 178.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -142.01 158.26 43.98 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.533 1.533 . . . . 0.0 111.013 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -143.56 143.84 31.69 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.166 1.386 . . . . 0.0 112.265 177.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -136.83 94.96 12.57 Favored Pre-proline 0 CA--C 1.545 0.758 0 C-N-CA 125.935 1.694 . . . . 0.0 111.084 -168.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_exo -61.93 147.44 95.18 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 123.8 3.0 . . . . 0.0 114.418 -179.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.17 4.14 90.32 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 125.11 1.338 . . . . 0.0 114.776 176.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.2 mt -103.2 162.53 12.9 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.452 1.101 . . . . 0.0 113.347 178.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.89 158.1 44.63 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 127.767 2.427 . . . . 0.0 109.901 165.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 59.5 mt -69.64 118.48 14.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 O-C-N 121.087 -1.008 . . . . 0.0 109.134 178.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.56 -61.17 1.39 Allowed Glycine 0 N--CA 1.469 0.889 0 C-N-CA 124.574 1.083 . . . . 0.0 113.653 -171.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -148.25 157.34 43.43 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 179.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 18.4 t -128.35 127.49 67.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 126.893 2.077 . . . . 0.0 108.995 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -124.46 92.54 3.68 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.88 1.272 . . . . 0.0 110.895 -178.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -70.56 -10.14 58.51 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 121.265 -0.897 . . . . 0.0 113.082 -177.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.7 mtm-85 -60.35 -27.39 67.33 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 125.948 1.699 . . . . 0.0 113.104 167.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.0 m -135.33 -7.06 2.27 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.057 1.343 . . . . 0.0 113.965 -176.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.49 21.72 79.33 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 124.284 0.945 . . . . 0.0 114.041 -176.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 47.7 t -96.73 138.87 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.701 1.2 . . . . 0.0 111.23 -178.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 63.8 mt -119.13 119.68 61.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 C-N-CA 127.506 2.323 . . . . 0.0 108.542 174.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.0 t -102.37 130.34 49.09 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.975 0.91 . . . . 0.0 111.522 177.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.8 mt -98.66 148.86 23.4 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.039 1.336 . . . . 0.0 111.617 176.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -135.32 163.16 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 126.007 1.723 . . . . 0.0 110.623 -178.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.3 mp0 -64.46 137.41 57.86 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.565 -0.71 . . . . 0.0 110.941 176.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -70.12 -11.41 60.87 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 -175.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -135.74 143.7 45.46 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.06 1.744 . . . . 0.0 110.225 165.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -128.57 16.59 6.46 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 -163.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 . . . . . 0 C--O 1.253 1.258 0 C-N-CA 126.818 2.047 . . . . 0.0 111.98 -178.409 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.33 0 N-CA-C 112.173 -0.371 . . . . 0.0 112.173 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.03 157.6 61.19 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 123.842 3.028 . . . . 0.0 112.748 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -73.86 153.59 47.3 Favored Glycine 0 CA--C 1.538 1.5 0 C-N-CA 123.72 0.676 . . . . 0.0 113.132 174.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 7.3 t 60.6 179.39 0.1 Allowed 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.641 1.576 . . . . 0.0 114.065 -174.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.6 ptm -151.02 172.34 15.87 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.885 1.674 . . . . 0.0 112.438 -176.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 29.5 p -140.84 175.13 9.87 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.148 1.779 . . . . 0.0 111.727 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -54.42 -45.88 73.08 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.927 1.291 . . . . 0.0 113.254 -173.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -157.8 165.38 35.46 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 124.977 1.311 . . . . 0.0 111.333 165.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -134.19 133.43 40.93 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.494 1.118 . . . . 0.0 111.801 169.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 49.8 t -98.54 145.72 9.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.972 1.309 . . . . 0.0 110.642 -179.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 8.8 p -138.63 140.97 38.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 125.397 1.479 . . . . 0.0 111.585 174.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -148.33 160.91 42.52 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.384 1.474 . . . . 0.0 112.272 176.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 23.6 m -114.52 131.69 56.56 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.218 1.407 . . . . 0.0 111.026 176.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -80.43 164.04 23.36 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.029 1.732 . . . . 0.0 112.555 178.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.49 -25.66 68.09 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.292 1.037 . . . . 0.0 113.682 175.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 49.5 p30 -79.15 -0.05 30.2 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.764 1.226 . . . . 0.0 114.263 174.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.97 -5.25 83.48 Favored Glycine 0 CA--C 1.539 1.57 0 C-N-CA 125.747 1.641 . . . . 0.0 115.161 -178.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.44 167.83 54.81 Favored Glycine 0 CA--C 1.534 1.25 0 CA-C-N 119.253 1.526 . . . . 0.0 112.72 171.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -127.46 151.95 48.18 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.633 1.173 . . . . 0.0 113.226 -177.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 40.1 t -129.21 147.2 33.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 126.739 2.016 . . . . 0.0 109.098 -175.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -139.58 148.32 42.37 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.56 1.144 . . . . 0.0 112.056 177.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -132.24 123.14 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 125.167 1.387 . . . . 0.0 109.503 176.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.6 174.12 26.65 Favored Glycine 0 CA--C 1.538 1.497 0 C-N-CA 125.415 1.483 . . . . 0.0 113.457 173.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 56.22 32.44 20.29 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.008 1.323 . . . . 0.0 113.318 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 79.2 t -72.85 134.64 29.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 125.149 1.38 . . . . 0.0 110.927 -175.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 20.7 tp -117.82 -22.53 7.92 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.94 1.296 . . . . 0.0 113.181 -178.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -152.15 140.8 20.83 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.265 1.426 . . . . 0.0 111.47 178.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 17.9 t -142.09 143.0 27.15 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 C-N-CA 125.194 1.398 . . . . 0.0 109.858 171.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 1.9 ptt85 -152.62 143.76 23.13 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 176.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.88 126.21 34.51 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.27 1.428 . . . . 0.0 108.679 168.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -158.27 129.01 6.28 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.058 0.943 . . . . 0.0 111.109 -166.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 62.3 25.3 66.52 Favored Glycine 0 CA--C 1.538 1.492 0 N-CA-C 115.698 1.039 . . . . 0.0 115.698 171.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.79 21.27 69.02 Favored Glycine 0 CA--C 1.538 1.511 0 CA-C-N 118.385 1.092 . . . . 0.0 114.209 -173.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.81 176.03 9.13 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 127.191 2.196 . . . . 0.0 110.796 179.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 79.7 t -115.38 138.33 46.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 123.694 0.798 . . . . 0.0 111.193 165.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -113.89 144.02 43.72 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 126.487 1.915 . . . . 0.0 109.765 169.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -146.85 138.41 18.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 124.437 1.095 . . . . 0.0 110.92 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 4.4 m -131.07 134.23 46.42 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.597 1.159 . . . . 0.0 111.159 -176.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 24.6 p -81.22 166.67 20.37 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.384 1.074 . . . . 0.0 112.053 174.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 pp -66.87 -10.07 44.4 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 114.536 1.309 . . . . 0.0 114.536 171.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -85.66 5.8 30.37 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.785 1.234 . . . . 0.0 112.96 169.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 62.77 17.17 9.64 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.638 1.975 . . . . 0.0 114.706 -173.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -79.49 125.83 30.07 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.107 -0.996 . . . . 0.0 110.157 172.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -112.94 138.86 49.17 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.763 0.825 . . . . 0.0 112.663 -173.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 56.6 m-70 -126.28 152.03 46.7 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 127.162 2.185 . . . . 0.0 110.42 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.6 145.28 31.71 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.63 0.772 . . . . 0.0 112.555 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -138.85 97.48 8.94 Favored Pre-proline 0 CA--C 1.545 0.759 0 C-N-CA 125.366 1.467 . . . . 0.0 111.004 -171.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -61.47 147.46 95.41 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.623 2.882 . . . . 0.0 114.431 178.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.83 -4.15 58.23 Favored Glycine 0 CA--C 1.535 1.331 0 C-N-CA 125.002 1.287 . . . . 0.0 114.936 177.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 25.2 mt -90.71 163.14 14.61 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.112 1.456 . . . . 0.0 113.71 179.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.07 160.69 39.54 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 127.904 2.482 . . . . 0.0 110.197 163.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 48.6 mt -72.64 119.03 18.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 O-C-N 121.461 -0.775 . . . . 0.0 109.103 176.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -86.23 -44.72 5.84 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 124.587 1.089 . . . . 0.0 113.338 -177.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 28.4 ptt85 -157.84 155.73 30.21 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.632 1.173 . . . . 0.0 112.663 175.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 34.1 t -125.38 125.64 69.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 124.424 1.09 . . . . 0.0 108.638 170.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -127.21 83.46 2.17 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.111 1.364 . . . . 0.0 109.929 -166.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -67.58 -16.42 64.17 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.696 1.598 . . . . 0.0 112.871 -170.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 22.2 mtp-105 -56.2 -26.98 52.95 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 126.103 1.761 . . . . 0.0 113.187 168.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 39.9 m -133.68 3.99 3.58 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.873 1.669 . . . . 0.0 114.171 179.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 67.15 17.55 68.13 Favored Glycine 0 CA--C 1.54 1.652 0 C-N-CA 124.806 1.193 . . . . 0.0 115.106 -176.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 71.1 t -85.93 134.67 26.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-N 118.285 1.042 . . . . 0.0 111.711 -173.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 96.7 mt -116.62 108.66 25.6 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 126.051 1.74 . . . . 0.0 107.779 169.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 26.7 t -97.85 129.0 44.84 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 121.287 -0.883 . . . . 0.0 111.457 -177.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 18.9 mt -108.34 146.23 33.29 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.341 1.057 . . . . 0.0 112.02 177.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -139.17 161.95 28.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 126.056 1.742 . . . . 0.0 110.759 -179.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -65.09 135.52 55.63 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.057 -1.027 . . . . 0.0 111.255 174.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -73.22 -6.65 47.28 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 -176.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 63.5 mm-40 -79.0 4.91 13.02 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 116.025 1.861 . . . . 0.0 116.025 176.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 64.7 m-80 -82.3 32.61 0.4 Allowed 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 126.524 1.93 . . . . 0.0 113.742 177.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 . . . . . 0 C--O 1.253 1.245 0 C-N-CA 126.205 1.802 . . . . 0.0 112.613 -177.894 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.665 0 CA-C-O 122.087 0.946 . . . . 0.0 113.458 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -133.02 144.93 50.39 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.8 1.64 . . . . 0.0 111.567 171.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 86.9 t -102.25 144.88 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 125.084 1.354 . . . . 0.0 110.95 176.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.0 p -136.51 141.07 42.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.803 1.641 . . . . 0.0 111.433 171.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 N--CA 1.472 0.653 0 C-N-CA 125.054 1.342 . . . . 0.0 113.145 -177.211 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 77.8 t . . . . . 0 N--CA 1.476 0.847 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -130.42 143.61 50.87 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.95 1.3 . . . . 0.0 110.96 175.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -130.45 114.01 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 124.809 1.244 . . . . 0.0 109.587 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.29 163.34 30.14 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 124.075 0.845 . . . . 0.0 113.853 178.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 54.82 41.77 31.66 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 126.068 1.747 . . . . 0.0 113.961 173.114 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.0 m -73.73 136.39 25.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 O-C-N 121.358 -0.839 . . . . 0.0 111.724 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.8 mt -90.97 -28.53 17.97 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.097 1.359 . . . . 0.0 112.015 173.204 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 64.3 tt0 -158.41 150.53 21.68 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.847 0.859 . . . . 0.0 112.567 178.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.2 t -134.65 138.1 50.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 126.631 1.972 . . . . 0.0 109.552 171.074 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -137.37 136.97 38.38 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 125.31 1.444 . . . . 0.0 111.726 -179.076 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.682 0 C-N-CA 123.651 0.78 . . . . 0.0 109.09 165.128 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.652 0 CA-C-O 121.299 0.571 . . . . 0.0 111.421 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 88.7 t -109.39 128.3 65.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 O-C-N 121.746 -0.596 . . . . 0.0 110.662 163.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -99.57 147.01 25.8 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.862 1.665 . . . . 0.0 110.334 168.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -152.3 139.07 12.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 123.495 0.718 . . . . 0.0 111.694 175.54 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.0 m -126.07 145.58 50.27 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.053 1.341 . . . . 0.0 110.91 -171.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 43.5 p -122.32 164.98 16.97 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 125.089 1.356 . . . . 0.0 113.232 -172.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.09 -5.18 20.52 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 171.467 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -79.5 4.51 15.45 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.529 1.132 . . . . 0.0 112.858 170.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 60.83 14.06 4.89 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.803 2.041 . . . . 0.0 113.987 -167.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -89.33 146.14 24.9 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.935 1.294 . . . . 0.0 111.386 175.175 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.2 tt0 -132.11 132.47 43.31 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.891 1.277 . . . . 0.0 110.937 175.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -111.97 154.36 25.4 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 126.277 1.831 . . . . 0.0 111.269 -179.103 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -138.57 136.4 35.98 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.752 1.221 . . . . 0.0 111.526 173.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -132.06 92.55 29.11 Favored Pre-proline 0 C--O 1.239 0.534 0 C-N-CA 125.409 1.484 . . . . 0.0 110.281 -173.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -68.94 147.08 67.36 Favored 'Trans proline' 0 CA--C 1.54 0.817 0 C-N-CA 123.258 2.639 . . . . 0.0 112.876 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.37 6.91 85.55 Favored Glycine 0 CA--C 1.53 1.029 0 C-N-CA 125.018 1.294 . . . . 0.0 114.699 -178.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.6 mt -108.69 163.25 13.42 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.219 1.408 . . . . 0.0 113.106 178.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.09 160.57 39.63 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 127.375 2.27 . . . . 0.0 110.278 164.205 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 55.6 mt -72.58 116.43 14.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 O-C-N 121.583 -0.698 . . . . 0.0 109.265 174.131 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.49 -38.31 4.26 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 123.951 0.786 . . . . 0.0 114.436 -175.442 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -153.23 145.67 24.07 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.294 1.037 . . . . 0.0 111.703 -173.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 41.4 t -134.21 112.11 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 C-N-CA 125.514 1.526 . . . . 0.0 108.17 174.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -110.55 91.45 3.66 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.546 1.539 . . . . 0.0 110.896 -175.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -69.83 -12.12 61.38 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.109 1.364 . . . . 0.0 113.463 -173.328 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 59.6 mtt85 -61.86 -29.79 70.42 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.661 1.184 . . . . 0.0 112.233 171.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.8 m -129.74 -8.4 4.52 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.732 1.613 . . . . 0.0 114.017 -177.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.2 25.9 67.55 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 124.606 1.098 . . . . 0.0 114.234 -177.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.6 t -94.79 127.89 46.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 CA-C-N 118.362 1.081 . . . . 0.0 111.368 -177.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 92.5 mt -108.79 112.01 38.56 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 C-N-CA 126.347 1.859 . . . . 0.0 108.404 173.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.3 m -100.42 123.86 45.19 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.504 0.722 . . . . 0.0 110.879 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.9 mt -91.07 151.83 20.87 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.082 0.953 . . . . 0.0 111.134 173.278 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -131.92 151.5 35.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 125.583 1.553 . . . . 0.0 110.509 178.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.9 mp0 -69.37 127.87 34.57 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.783 0.833 . . . . 0.0 111.129 176.231 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.547 0.853 0 C-N-CA 123.673 0.789 . . . . 0.0 112.691 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 5.4 mpp? . . . . . 0 CA--C 1.541 0.609 0 N-CA-C 114.09 1.144 . . . . 0.0 114.09 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.61 -179.82 5.52 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.404 1.481 . . . . 0.0 112.72 172.095 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -137.29 143.42 42.13 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.516 1.526 . . . . 0.0 111.752 168.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 89.4 t -100.86 145.82 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 125.369 1.468 . . . . 0.0 111.011 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 9.7 p -133.49 143.67 38.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 125.681 1.592 . . . . 0.0 111.8 168.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp -147.91 155.53 41.69 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.684 1.594 . . . . 0.0 112.284 177.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 22.0 m -110.3 132.05 54.52 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.77 1.228 . . . . 0.0 110.854 176.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -81.09 162.02 23.9 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.161 1.784 . . . . 0.0 112.493 178.188 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.76 -22.98 66.96 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.04 0.936 . . . . 0.0 113.509 173.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -74.94 -7.38 53.4 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.125 1.37 . . . . 0.0 114.067 173.276 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.13 -6.37 79.65 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 125.262 1.411 . . . . 0.0 114.931 -175.202 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.52 168.65 54.48 Favored Glycine 0 CA--C 1.533 1.211 0 CA-C-N 118.421 1.11 . . . . 0.0 112.553 169.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -127.82 153.23 46.84 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.675 1.19 . . . . 0.0 112.847 -178.297 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 75.6 t -134.15 142.05 42.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 126.095 1.758 . . . . 0.0 109.222 -177.124 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -129.03 149.79 50.7 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.793 1.237 . . . . 0.0 111.861 176.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -128.81 112.33 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 125.208 1.403 . . . . 0.0 108.337 174.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.29 154.9 26.71 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 124.019 0.819 . . . . 0.0 114.234 -176.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 52.15 48.14 23.3 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 126.177 1.791 . . . . 0.0 113.737 171.137 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 34.8 m -75.6 135.14 27.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 O-C-N 120.833 -1.167 . . . . 0.0 112.314 -176.17 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 92.1 mt -80.95 -31.16 35.04 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.69 1.196 . . . . 0.0 111.823 172.203 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -160.21 147.13 16.0 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.989 0.916 . . . . 0.0 112.923 -174.236 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t -134.29 138.86 49.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 126.042 1.737 . . . . 0.0 109.472 170.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -133.1 140.75 47.81 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 126.71 2.004 . . . . 0.0 110.458 -175.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.607 0 C-N-CA 124.604 1.162 . . . . 0.0 111.154 167.991 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.781 0 CA-C-O 121.411 0.624 . . . . 0.0 112.669 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -110.92 145.87 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 125.162 1.385 . . . . 0.0 110.825 161.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -130.26 148.86 52.14 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.1 1.76 . . . . 0.0 110.502 173.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -154.07 141.3 12.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 123.509 0.724 . . . . 0.0 112.696 -173.343 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 85.1 m -122.81 136.86 55.01 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.257 1.423 . . . . 0.0 112.04 -174.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 44.7 p -101.32 166.36 10.79 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.804 1.642 . . . . 0.0 113.525 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -64.52 -12.97 50.02 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 114.252 1.205 . . . . 0.0 114.252 171.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -79.44 2.76 20.68 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.227 1.411 . . . . 0.0 113.353 175.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.8 t0 60.14 23.81 13.1 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 126.149 1.78 . . . . 0.0 113.059 -167.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -99.73 136.12 40.13 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.495 1.518 . . . . 0.0 110.582 174.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -122.31 146.0 47.72 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.295 1.438 . . . . 0.0 111.696 -177.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -128.55 156.01 43.99 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 126.094 1.758 . . . . 0.0 111.109 -174.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.38 140.24 31.97 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.844 1.258 . . . . 0.0 111.814 178.094 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -139.21 92.19 10.82 Favored Pre-proline 0 CA--C 1.543 0.677 0 C-N-CA 125.744 1.618 . . . . 0.0 110.89 -173.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -62.23 148.6 92.95 Favored 'Trans proline' 0 CA--C 1.537 0.638 0 C-N-CA 123.599 2.866 . . . . 0.0 113.988 176.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.25 1.46 88.17 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 125.524 1.535 . . . . 0.0 114.783 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 54.5 mt -102.52 162.69 12.72 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 118.833 1.317 . . . . 0.0 112.995 177.198 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.26 158.95 43.21 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 128.153 2.581 . . . . 0.0 109.876 165.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 50.8 mt -70.66 118.91 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 O-C-N 121.233 -0.917 . . . . 0.0 109.503 177.159 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.31 -48.55 3.73 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 124.525 1.059 . . . . 0.0 113.31 -176.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -152.98 160.14 42.99 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.921 0.888 . . . . 0.0 113.309 179.109 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 25.9 t -131.49 110.19 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 126.408 1.883 . . . . 0.0 107.748 171.518 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -102.23 100.84 11.07 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.553 1.141 . . . . 0.0 111.098 179.149 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -75.28 -11.88 60.16 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.176 0.99 . . . . 0.0 113.543 -177.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 37.2 mtt85 -68.21 -27.11 66.1 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.19 0.996 . . . . 0.0 112.544 172.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 93.7 p -126.45 -15.53 5.6 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.622 1.569 . . . . 0.0 114.715 -177.28 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.13 15.05 79.59 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 124.842 1.21 . . . . 0.0 114.093 -174.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 89.1 t -88.9 123.57 41.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 CA-C-N 119.099 1.449 . . . . 0.0 111.683 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 97.5 mt -96.78 131.71 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 126.345 1.858 . . . . 0.0 107.6 163.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 8.4 t -122.23 133.29 54.71 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.522 0.601 . . . . 0.0 111.195 177.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 25.1 mt -98.85 149.64 22.7 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.74 1.216 . . . . 0.0 111.816 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -132.31 160.45 42.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 126.094 1.758 . . . . 0.0 110.854 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -70.68 133.22 46.45 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 121.714 -0.616 . . . . 0.0 111.635 176.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.545 0.787 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 -173.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.65 0 CA-C-O 121.671 0.748 . . . . 0.0 112.734 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -126.5 133.31 51.19 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 126.613 1.965 . . . . 0.0 111.055 171.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 18.5 t -100.0 143.08 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 126.063 1.745 . . . . 0.0 110.762 -174.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -137.29 141.11 40.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 125.361 1.464 . . . . 0.0 111.379 168.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.542 0.663 0 C-N-CA 125.221 1.409 . . . . 0.0 112.724 -176.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.5 t . . . . . 0 N--CA 1.477 0.879 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -132.46 135.5 46.09 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.951 1.7 . . . . 0.0 110.697 177.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.5 mt -137.33 123.45 27.38 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 C-N-CA 125.054 1.342 . . . . 0.0 110.126 -173.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -95.84 169.1 26.7 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.484 1.04 . . . . 0.0 113.753 176.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 54.61 39.03 30.94 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.646 1.578 . . . . 0.0 113.861 177.033 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 84.8 t -75.81 114.2 15.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 125.088 1.355 . . . . 0.0 110.529 -177.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 27.4 tp -84.65 -27.84 26.85 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 126.013 1.725 . . . . 0.0 112.729 -176.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -159.67 148.61 17.81 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.79 1.236 . . . . 0.0 112.675 175.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.5 m -132.81 147.09 31.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 125.222 1.409 . . . . 0.0 111.417 170.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -143.3 131.92 22.46 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.137 1.375 . . . . 0.0 111.934 175.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.817 0 C-N-CA 124.006 0.922 . . . . 0.0 110.364 159.891 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.669 0 CA-C-O 120.403 0.145 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 82.3 t -117.93 142.63 31.49 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 C-N-CA 123.982 0.913 . . . . 0.0 111.026 167.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -122.31 140.97 52.03 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 126.388 1.875 . . . . 0.0 110.025 174.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.5 m -137.48 140.2 42.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.16 0.984 . . . . 0.0 111.118 -177.178 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.3 m -129.62 131.93 46.61 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.501 1.121 . . . . 0.0 110.493 -174.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.4 p -97.1 161.0 14.02 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.464 1.106 . . . . 0.0 111.426 174.006 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.96 -3.86 14.48 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.928 1.455 . . . . 0.0 114.928 176.07 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -80.83 6.06 14.18 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.071 1.349 . . . . 0.0 113.588 171.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 62.72 10.44 4.2 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 127.0 2.12 . . . . 0.0 114.484 -169.108 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -80.9 133.3 35.53 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.438 1.095 . . . . 0.0 110.226 170.241 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -131.89 145.61 51.63 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.561 1.544 . . . . 0.0 110.877 -177.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -133.14 155.32 49.49 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.677 1.591 . . . . 0.0 111.395 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -138.54 137.42 37.03 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.719 1.208 . . . . 0.0 110.935 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -137.54 98.11 10.08 Favored Pre-proline 0 CA--C 1.545 0.787 0 C-N-CA 125.033 1.333 . . . . 0.0 110.926 -172.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -63.17 150.03 89.74 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 123.424 2.749 . . . . 0.0 114.142 175.489 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.5 8.0 81.34 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 125.121 1.343 . . . . 0.0 114.64 175.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.9 mt -117.89 162.03 18.79 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.181 1.392 . . . . 0.0 112.555 -176.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.1 159.19 42.72 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 127.724 2.409 . . . . 0.0 109.541 167.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 20.1 mt -71.86 123.88 27.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 O-C-N 121.05 -1.031 . . . . 0.0 108.961 177.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -103.64 -39.85 2.47 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 124.83 1.205 . . . . 0.0 114.453 -174.354 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -151.8 144.7 24.44 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 118.385 1.093 . . . . 0.0 111.792 -174.163 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.1 t -135.97 123.3 34.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 125.734 1.613 . . . . 0.0 109.345 175.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -131.35 100.64 5.24 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.349 1.06 . . . . 0.0 111.089 -174.027 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -75.42 -10.97 59.93 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.251 1.42 . . . . 0.0 113.146 -171.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -64.9 -25.83 68.06 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.858 1.263 . . . . 0.0 112.17 173.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.5 m -133.12 1.39 3.52 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.082 1.753 . . . . 0.0 113.465 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.08 23.94 76.0 Favored Glycine 0 CA--C 1.536 1.403 0 C-N-CA 125.077 1.322 . . . . 0.0 114.983 -177.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.7 t -86.36 135.0 26.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 CA-C-N 118.872 1.336 . . . . 0.0 111.823 -174.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 86.3 mt -117.0 130.99 71.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 127.113 2.165 . . . . 0.0 108.278 167.319 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.9 t -128.86 128.92 44.82 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.316 1.046 . . . . 0.0 111.166 -176.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.8 mp -96.41 151.25 19.73 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.695 1.198 . . . . 0.0 110.767 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -131.5 158.96 43.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 126.349 1.86 . . . . 0.0 110.642 177.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -67.59 133.4 49.35 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.447 -0.783 . . . . 0.0 111.588 177.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? . . . . . 0 N--CA 1.477 0.921 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 -169.502 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 4.5 mpp? . . . . . 0 N--CA 1.471 0.611 0 CA-C-O 121.552 0.691 . . . . 0.0 112.118 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.18 171.87 13.79 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.784 1.234 . . . . 0.0 112.859 178.043 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -122.82 141.62 51.65 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.466 1.106 . . . . 0.0 111.372 160.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 24.1 t -98.55 141.99 15.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 125.547 1.539 . . . . 0.0 110.218 177.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.5 p -127.48 139.29 52.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 124.968 1.307 . . . . 0.0 111.285 168.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 pp -149.96 160.36 43.67 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.993 1.317 . . . . 0.0 112.887 -175.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 13.5 m -110.18 130.87 55.47 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.797 1.239 . . . . 0.0 109.724 172.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -77.1 163.48 26.58 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.271 1.428 . . . . 0.0 112.468 176.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.36 -25.12 65.62 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 171.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -76.03 -5.17 45.17 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.553 1.541 . . . . 0.0 114.168 172.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.83 -6.94 72.09 Favored Glycine 0 CA--C 1.539 1.563 0 C-N-CA 125.434 1.492 . . . . 0.0 115.691 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.55 162.78 53.42 Favored Glycine 0 CA--C 1.538 1.5 0 CA-C-N 118.499 1.149 . . . . 0.0 112.165 170.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -118.38 152.81 35.13 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.191 0.996 . . . . 0.0 113.32 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 99.8 t -135.99 141.94 40.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 125.755 1.622 . . . . 0.0 109.62 -174.139 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -123.29 142.51 50.87 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.807 1.243 . . . . 0.0 111.58 171.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 63.3 mt -134.01 107.63 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 125.325 1.45 . . . . 0.0 108.778 -174.301 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.0 178.05 53.68 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 123.98 0.8 . . . . 0.0 113.758 177.094 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 58.96 32.56 22.38 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 169.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 72.3 t -78.9 124.71 37.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 125.809 1.644 . . . . 0.0 112.354 -175.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 78.3 mt -84.4 -37.92 20.89 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.607 1.163 . . . . 0.0 112.274 170.449 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -156.11 148.99 24.1 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 118.929 0.786 . . . . 0.0 113.039 -171.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 38.9 t -135.33 135.93 51.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 126.508 1.923 . . . . 0.0 109.906 175.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -136.66 125.3 23.77 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.815 1.246 . . . . 0.0 111.165 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.567 0 C-N-CA 124.631 1.172 . . . . 0.0 110.26 166.684 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.38 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 50.2 t -115.75 137.75 48.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 123.407 0.683 . . . . 0.0 110.74 164.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -116.99 150.82 37.95 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 126.034 1.734 . . . . 0.0 111.223 174.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.73 142.57 40.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 125.951 1.7 . . . . 0.0 110.907 -176.284 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 86.8 m -123.98 133.21 53.74 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.788 1.235 . . . . 0.0 110.302 173.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 40.2 p -104.26 164.6 11.61 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.934 1.293 . . . . 0.0 112.737 178.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 pp -64.27 -15.97 61.17 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 177.018 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -76.66 1.61 16.5 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.352 1.461 . . . . 0.0 113.642 172.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 24.6 t0 60.66 19.04 9.04 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 127.007 2.123 . . . . 0.0 113.84 -169.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -84.86 143.87 28.77 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 124.602 1.161 . . . . 0.0 110.513 170.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -122.32 148.36 45.13 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.802 1.241 . . . . 0.0 112.042 -178.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -134.08 154.37 51.22 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.146 1.378 . . . . 0.0 111.432 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -140.95 138.22 33.64 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.003 1.321 . . . . 0.0 112.188 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -139.05 92.27 10.96 Favored Pre-proline 0 CA--C 1.544 0.746 0 C-N-CA 125.51 1.524 . . . . 0.0 110.785 -173.165 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -69.66 149.7 67.84 Favored 'Trans proline' 0 CA--C 1.536 0.613 0 C-N-CA 123.08 2.52 . . . . 0.0 112.646 178.181 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.53 5.07 85.1 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 125.59 1.567 . . . . 0.0 114.684 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 76.8 mt -109.73 162.46 14.43 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.943 1.297 . . . . 0.0 113.605 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.5 159.08 42.94 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 127.774 2.43 . . . . 0.0 109.38 166.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 37.6 mt -73.91 121.97 26.07 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.848 0 O-C-N 121.246 -0.909 . . . . 0.0 108.952 178.097 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.91 -46.59 3.1 Favored Glycine 0 CA--C 1.53 1.031 0 C-N-CA 124.723 1.154 . . . . 0.0 114.405 -175.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 7.1 ptt-85 -157.64 164.27 37.39 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.405 1.082 . . . . 0.0 113.057 177.236 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 5.0 t -135.12 122.65 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 123.959 0.903 . . . . 0.0 110.033 169.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -100.84 88.08 3.48 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.164 1.385 . . . . 0.0 110.132 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -68.2 -10.3 53.39 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 120.911 -1.118 . . . . 0.0 112.887 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 48.3 mtm105 -59.47 -24.96 64.01 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 126.066 1.746 . . . . 0.0 113.637 164.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.1 t -136.63 -16.54 1.53 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.268 1.427 . . . . 0.0 114.072 -173.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.49 22.36 58.61 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 124.953 1.264 . . . . 0.0 113.995 -175.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 65.1 t -93.95 122.16 45.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 124.191 0.996 . . . . 0.0 111.374 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 86.1 mt -96.68 127.43 48.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 C-N-CA 125.74 1.616 . . . . 0.0 108.18 166.02 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 30.1 t -116.38 125.35 51.94 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.992 0.917 . . . . 0.0 111.486 -177.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.9 mp -101.28 145.97 28.16 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.33 1.452 . . . . 0.0 110.73 177.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -134.79 160.99 41.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 126.643 1.977 . . . . 0.0 110.493 -178.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 28.5 mp0 -65.6 131.44 46.38 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.247 -0.908 . . . . 0.0 111.995 178.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? . . . . . 0 N--CA 1.482 1.165 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -176.145 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 0.991 0 CA-C-O 121.398 0.618 . . . . 0.0 112.368 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -128.96 154.74 46.28 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.568 1.147 . . . . 0.0 111.548 161.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.2 t -100.74 146.45 9.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.316 1.046 . . . . 0.0 110.384 171.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.5 p -134.19 141.73 42.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 125.139 1.376 . . . . 0.0 111.456 170.215 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 CA--C 1.537 0.477 0 C-N-CA 124.954 1.302 . . . . 0.0 112.177 179.47 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.0 t . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -128.09 147.67 50.54 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.25 1.42 . . . . 0.0 111.636 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.0 mt -131.56 101.95 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 125.261 1.424 . . . . 0.0 108.855 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.26 157.14 46.11 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 124.36 0.981 . . . . 0.0 113.711 -178.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 52.92 46.32 27.01 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 126.327 1.851 . . . . 0.0 114.128 173.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.0 p -73.81 135.34 27.74 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 124.995 1.318 . . . . 0.0 112.385 -177.444 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.4 mt -90.76 -39.62 12.29 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.747 1.219 . . . . 0.0 112.539 175.407 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 73.8 tt0 -154.23 146.38 23.73 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.759 -0.588 . . . . 0.0 112.061 -173.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.4 t -135.92 138.33 47.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 125.656 1.583 . . . . 0.0 110.297 175.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -134.54 137.05 43.49 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.297 1.439 . . . . 0.0 111.434 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.57 0 C-N-CA 125.656 1.582 . . . . 0.0 110.668 176.753 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.569 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.8 t -106.85 137.6 36.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 123.469 0.708 . . . . 0.0 111.77 179.009 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -116.64 149.85 39.07 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.644 1.977 . . . . 0.0 110.211 175.132 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.7 t -139.48 142.05 33.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 125.222 1.409 . . . . 0.0 110.493 -174.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.4 m -129.87 135.59 48.55 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.098 1.359 . . . . 0.0 111.045 177.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.8 p -124.52 166.65 15.68 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.734 1.214 . . . . 0.0 113.269 -174.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -62.92 -14.08 42.39 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 115.606 1.706 . . . . 0.0 115.606 -177.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -79.61 5.67 12.54 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.964 1.306 . . . . 0.0 113.492 174.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.6 t0 60.02 26.28 15.59 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.982 2.113 . . . . 0.0 112.908 -168.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -93.87 153.32 18.32 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.185 1.394 . . . . 0.0 112.179 173.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -131.87 144.98 51.27 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 125.214 1.406 . . . . 0.0 111.581 177.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -137.1 152.15 49.69 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.923 1.689 . . . . 0.0 111.084 -173.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -145.85 141.28 27.73 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.855 0.862 . . . . 0.0 112.603 -178.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -141.11 94.12 7.91 Favored Pre-proline 0 CA--C 1.545 0.772 0 C-N-CA 126.109 1.764 . . . . 0.0 111.11 -170.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -63.07 151.71 83.34 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 123.48 2.787 . . . . 0.0 113.456 172.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.75 9.08 83.52 Favored Glycine 0 CA--C 1.53 1.029 0 C-N-CA 125.352 1.453 . . . . 0.0 115.051 177.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 72.5 mt -118.76 161.87 19.39 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.308 1.443 . . . . 0.0 113.561 -177.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -144.54 159.22 43.13 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 127.123 2.169 . . . . 0.0 109.753 166.083 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.0 mt -71.43 117.01 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 O-C-N 121.035 -1.04 . . . . 0.0 108.756 177.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.94 -35.88 8.78 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 125.308 1.432 . . . . 0.0 113.94 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -159.57 160.53 34.54 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 118.086 0.943 . . . . 0.0 112.191 170.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.1 t -128.72 124.08 60.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 124.067 0.947 . . . . 0.0 108.988 163.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -116.84 107.73 14.98 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.482 1.513 . . . . 0.0 110.333 -176.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -82.34 -12.28 58.07 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.778 1.231 . . . . 0.0 112.892 -174.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.4 mtm180 -72.29 -40.92 67.19 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.579 1.152 . . . . 0.0 110.836 175.196 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 80.4 p -96.23 -22.98 16.92 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.839 1.656 . . . . 0.0 113.811 176.142 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.9 41.75 14.03 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 124.594 1.092 . . . . 0.0 113.012 -176.357 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 76.7 t -125.76 130.16 72.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 124.629 1.172 . . . . 0.0 112.263 -173.296 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.8 mt -97.21 128.14 48.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 126.646 1.978 . . . . 0.0 107.884 166.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.0 t -119.46 128.54 54.1 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.831 0.852 . . . . 0.0 111.111 -177.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.4 mt -100.65 147.5 25.91 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.375 1.07 . . . . 0.0 111.96 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -133.28 161.02 42.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 126.639 1.976 . . . . 0.0 110.681 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -67.75 128.02 34.95 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 121.452 -0.78 . . . . 0.0 111.319 177.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? . . . . . 0 N--CA 1.472 0.648 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 -171.31 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 4.1 mpp? . . . . . 0 CA--C 1.544 0.723 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.39 161.21 28.05 Favored 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 -159.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.79 127.82 53.89 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 125.125 1.37 . . . . 0.0 110.272 165.393 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 79.2 t -101.16 139.57 22.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 125.562 1.545 . . . . 0.0 109.614 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 14.6 p -130.03 145.11 36.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 125.449 1.499 . . . . 0.0 112.763 174.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp -147.8 158.24 43.93 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.603 1.561 . . . . 0.0 112.267 178.216 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 32.7 m -114.91 131.3 56.92 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.842 1.257 . . . . 0.0 110.859 175.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -82.67 161.66 22.09 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.415 1.886 . . . . 0.0 112.813 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.27 -23.05 66.94 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 174.474 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 44.6 p30 -79.43 -1.12 35.83 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.398 1.079 . . . . 0.0 113.906 174.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.45 -6.07 84.0 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 125.793 1.663 . . . . 0.0 115.568 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.7 170.81 54.95 Favored Glycine 0 CA--C 1.537 1.42 0 CA-C-N 118.941 1.371 . . . . 0.0 113.18 171.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 70.4 mtm180 -125.84 155.2 41.53 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.677 1.191 . . . . 0.0 112.645 177.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 68.0 t -134.08 141.4 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 126.001 1.72 . . . . 0.0 109.593 -178.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -131.98 146.02 51.83 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.09 1.356 . . . . 0.0 111.799 178.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -130.95 121.14 49.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 125.46 1.504 . . . . 0.0 108.814 174.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.68 166.72 22.85 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 125.144 1.354 . . . . 0.0 114.352 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 52.36 39.39 27.32 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 125.867 1.667 . . . . 0.0 113.336 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -69.7 117.43 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 C-N-CA 125.296 1.438 . . . . 0.0 110.701 -178.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 77.3 mt -78.19 -34.9 49.24 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.388 1.075 . . . . 0.0 111.743 171.602 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -155.14 143.02 19.97 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.155 0.982 . . . . 0.0 112.189 178.278 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 7.3 p -125.27 139.77 50.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 125.931 1.692 . . . . 0.0 109.307 167.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 78.4 mtm-85 -136.3 141.85 43.86 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.787 1.635 . . . . 0.0 110.383 -169.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 C-N-CA 125.282 1.433 . . . . 0.0 110.748 -177.85 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.667 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 68.5 t -115.94 146.79 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 124.424 1.09 . . . . 0.0 112.206 177.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -130.13 152.99 48.97 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.155 1.782 . . . . 0.0 111.391 171.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 16.7 m -130.32 152.89 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 125.74 1.616 . . . . 0.0 111.559 176.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 85.4 m -132.06 126.31 33.51 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.255 1.422 . . . . 0.0 110.121 173.09 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 17.6 p -94.54 170.25 9.61 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.213 1.005 . . . . 0.0 113.538 -176.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 59.2 tp -50.09 -30.17 10.47 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 127.191 2.197 . . . . 0.0 114.082 169.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -92.41 10.82 28.38 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.444 1.498 . . . . 0.0 113.281 -178.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 59.3 18.53 6.76 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.562 1.945 . . . . 0.0 114.393 -171.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -76.73 143.57 39.86 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 120.9 -1.125 . . . . 0.0 110.528 172.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -121.73 145.34 48.13 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 124.631 1.173 . . . . 0.0 112.604 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -138.28 154.37 49.04 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.608 1.563 . . . . 0.0 110.639 171.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.38 144.15 34.36 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.822 1.249 . . . . 0.0 112.732 -177.144 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -141.42 96.55 6.98 Favored Pre-proline 0 CA--C 1.544 0.716 0 C-N-CA 125.597 1.559 . . . . 0.0 111.329 -168.025 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -64.52 148.78 90.64 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 123.434 2.756 . . . . 0.0 113.317 176.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.28 5.4 89.65 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 125.198 1.38 . . . . 0.0 114.855 177.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 42.5 mt -109.48 163.54 13.33 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.933 1.293 . . . . 0.0 113.581 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.58 157.51 44.37 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 127.715 2.406 . . . . 0.0 109.716 166.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 38.3 mt -69.28 123.19 22.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 O-C-N 121.184 -0.948 . . . . 0.0 109.059 176.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -105.9 -44.11 1.45 Allowed Glycine 0 C--N 1.34 0.757 0 N-CA-C 115.602 1.001 . . . . 0.0 115.602 -168.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -150.51 143.83 24.96 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.511 1.156 . . . . 0.0 111.677 -177.012 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 47.6 t -137.67 130.27 41.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 125.416 1.486 . . . . 0.0 109.067 -176.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -131.0 110.57 11.33 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 122.151 0.977 . . . . 0.0 111.626 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -81.25 -13.8 58.13 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.327 1.451 . . . . 0.0 112.565 -172.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 35.4 mtm180 -72.74 -23.8 60.88 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.991 1.316 . . . . 0.0 112.403 174.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 41.8 m -123.5 -14.11 7.42 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.536 1.534 . . . . 0.0 114.221 -177.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.58 29.38 63.75 Favored Glycine 0 CA--C 1.539 1.545 0 CA-C-N 119.372 0.987 . . . . 0.0 113.667 -176.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 86.0 t -104.99 138.87 27.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 125.403 1.481 . . . . 0.0 111.123 -176.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 71.8 mt -123.63 138.09 54.62 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 C-N-CA 126.397 1.879 . . . . 0.0 108.968 172.099 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 32.4 t -127.12 132.91 50.49 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.72 1.208 . . . . 0.0 111.606 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 27.0 mt -93.62 153.1 18.58 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.959 1.303 . . . . 0.0 112.144 176.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -131.02 158.97 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 125.981 1.712 . . . . 0.0 110.672 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -68.67 131.79 45.78 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 121.764 -0.585 . . . . 0.0 111.117 173.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? . . . . . 0 N--CA 1.479 0.979 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 -172.522 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.625 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 56.2 pttt -127.18 150.05 49.69 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.994 0.918 . . . . 0.0 111.24 162.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.7 t -104.02 139.0 26.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 125.462 1.505 . . . . 0.0 110.335 173.137 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.3 p -131.71 146.49 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 125.471 1.509 . . . . 0.0 111.383 172.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 pp . . . . . 0 N--CA 1.467 0.422 0 C-N-CA 125.057 1.343 . . . . 0.0 112.292 177.923 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 41.4 t . . . . . 0 N--CA 1.476 0.842 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -130.13 146.66 51.79 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.915 1.286 . . . . 0.0 112.144 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -131.21 109.5 16.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 126.283 1.833 . . . . 0.0 108.158 178.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.81 158.56 28.42 Favored Glycine 0 CA--C 1.533 1.205 0 C-N-CA 124.045 0.831 . . . . 0.0 114.595 -175.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 52.68 51.41 16.08 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 126.292 1.837 . . . . 0.0 113.641 172.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.5 t -73.92 126.67 35.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 127.942 2.497 . . . . 0.0 111.926 -178.048 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.8 mt -88.42 -28.85 20.63 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.342 1.057 . . . . 0.0 113.213 167.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -155.33 140.94 17.93 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.069 0.948 . . . . 0.0 111.986 -173.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.8 p -141.5 148.23 21.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 125.036 1.335 . . . . 0.0 110.302 169.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.6 ptt85 -155.37 141.12 18.05 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.94 0.896 . . . . 0.0 113.313 177.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.483 0 C-N-CA 125.875 1.67 . . . . 0.0 108.899 166.866 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.349 0 CA-C-O 119.608 -0.234 . . . . 0.0 111.459 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.2 t -92.82 138.92 18.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-N 118.149 0.431 . . . . 0.0 110.581 164.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 72.0 mtt85 -125.25 144.77 50.3 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.456 1.503 . . . . 0.0 110.237 171.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.3 p -145.03 143.96 22.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.432 1.093 . . . . 0.0 111.588 -172.19 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.2 m -128.81 131.53 47.76 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.694 1.597 . . . . 0.0 110.91 -175.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 41.3 p -96.38 169.06 10.18 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 125.038 1.335 . . . . 0.0 112.729 178.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -61.47 -14.92 32.67 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 114.886 1.439 . . . . 0.0 114.886 173.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -79.54 -2.98 44.77 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.671 1.188 . . . . 0.0 113.297 174.267 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 61.23 13.89 5.18 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.036 1.734 . . . . 0.0 113.951 -162.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -78.55 146.08 34.46 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.448 1.099 . . . . 0.0 110.66 169.326 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -131.16 152.85 50.03 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 125.189 1.396 . . . . 0.0 113.281 -172.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 -138.59 155.05 48.68 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.477 1.511 . . . . 0.0 111.519 178.001 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -139.28 141.89 37.75 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 125.137 1.375 . . . . 0.0 111.899 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -140.14 91.68 9.94 Favored Pre-proline 0 CA--C 1.546 0.813 0 C-N-CA 125.806 1.642 . . . . 0.0 110.961 -172.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -67.69 148.97 78.74 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 123.522 2.815 . . . . 0.0 112.918 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.13 -0.1 89.94 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 125.113 1.34 . . . . 0.0 114.981 -177.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 49.0 mt -103.92 163.39 12.39 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.813 1.307 . . . . 0.0 113.389 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.18 162.55 35.0 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 127.713 2.405 . . . . 0.0 110.099 163.183 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 40.4 mt -71.0 121.3 20.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 O-C-N 121.148 -0.97 . . . . 0.0 109.079 175.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.58 -46.82 2.44 Favored Glycine 0 N--CA 1.467 0.732 0 C-N-CA 124.93 1.252 . . . . 0.0 114.033 -172.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -149.1 155.9 41.41 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.971 1.308 . . . . 0.0 111.424 -178.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.5 t -139.53 126.98 25.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 124.061 0.944 . . . . 0.0 110.193 166.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -105.77 92.88 4.36 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.899 1.68 . . . . 0.0 110.218 175.064 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -68.21 -18.37 64.56 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.225 -0.922 . . . . 0.0 112.761 -178.171 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 43.3 mtt85 -60.26 -27.27 67.11 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.102 1.361 . . . . 0.0 112.769 170.059 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 31.1 m -128.5 -9.42 5.13 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.267 1.427 . . . . 0.0 114.62 -173.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.83 21.13 79.03 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.477 1.037 . . . . 0.0 114.61 -177.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 53.8 t -100.46 119.93 49.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 CA-C-N 119.118 1.459 . . . . 0.0 111.266 -176.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 12.7 mt -97.8 135.42 32.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 126.651 1.98 . . . . 0.0 108.146 168.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.1 t -126.61 130.46 50.53 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.691 1.196 . . . . 0.0 111.512 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.8 mt -96.24 154.27 17.35 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.675 1.19 . . . . 0.0 112.564 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -133.25 156.86 42.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 126.272 1.829 . . . . 0.0 110.654 176.273 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -75.08 133.32 41.59 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.083 -1.01 . . . . 0.0 112.016 175.276 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.839 0 C-N-CA 124.447 1.099 . . . . 0.0 113.924 -175.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 4.9 mpp? . . . . . 0 N--CA 1.47 0.558 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.43 176.58 9.58 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.981 1.312 . . . . 0.0 112.362 171.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -125.17 146.05 49.68 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 126.046 1.738 . . . . 0.0 111.242 163.188 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 54.5 t -105.13 143.67 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 125.117 1.367 . . . . 0.0 110.459 177.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 10.4 p -136.88 141.88 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.598 1.559 . . . . 0.0 111.694 171.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -153.18 160.02 42.77 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.505 1.522 . . . . 0.0 112.879 -177.488 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 15.2 m -114.15 128.42 56.37 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.272 1.429 . . . . 0.0 109.71 170.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -77.21 163.53 26.45 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.005 1.722 . . . . 0.0 112.209 178.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.0 -26.41 67.58 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.089 0.956 . . . . 0.0 113.533 175.256 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -78.11 -1.91 34.81 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 125.021 1.328 . . . . 0.0 113.848 173.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.69 -4.86 80.91 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 125.939 1.733 . . . . 0.0 115.775 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.51 154.17 43.64 Favored Glycine 0 CA--C 1.534 1.222 0 CA-C-N 118.869 1.335 . . . . 0.0 112.535 172.021 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -110.56 150.23 29.24 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.128 0.971 . . . . 0.0 113.195 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 97.6 t -131.44 140.44 48.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 126.152 1.781 . . . . 0.0 109.792 -178.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -130.62 143.12 50.54 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.289 1.436 . . . . 0.0 111.383 175.079 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 37.4 mt -131.76 124.23 53.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 125.019 1.328 . . . . 0.0 108.974 -178.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -95.41 166.39 25.46 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 124.376 0.989 . . . . 0.0 114.302 176.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 53.16 44.75 29.87 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 126.012 1.725 . . . . 0.0 113.627 176.201 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 81.7 t -76.03 119.83 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 124.91 1.284 . . . . 0.0 111.633 -176.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 98.6 mt -80.93 -31.57 34.98 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.958 1.303 . . . . 0.0 113.054 173.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -159.55 146.21 16.49 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 118.706 0.684 . . . . 0.0 111.927 -170.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 19.7 m -134.63 153.54 35.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 124.622 1.169 . . . . 0.0 111.842 166.286 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -144.63 131.22 19.94 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.726 1.21 . . . . 0.0 111.531 174.111 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.729 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 156.252 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.466 0 N-CA-C 111.536 0.198 . . . . 0.0 111.536 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 73.2 t -99.42 123.81 52.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 O-C-N 121.81 -0.556 . . . . 0.0 111.639 158.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -89.15 148.29 23.74 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.51 1.524 . . . . 0.0 111.329 165.032 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 10.5 t -135.74 143.61 35.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 125.871 1.669 . . . . 0.0 109.668 171.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 23.5 m -125.87 132.1 52.25 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.147 1.379 . . . . 0.0 110.087 174.138 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 30.4 p -101.66 165.99 10.93 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.328 1.051 . . . . 0.0 113.446 -178.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 69.1 tp -49.51 -28.81 5.85 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 127.165 2.186 . . . . 0.0 113.945 174.01 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -86.63 9.1 19.68 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 126.04 1.736 . . . . 0.0 113.752 -178.118 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 62.02 13.48 5.7 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 127.003 2.121 . . . . 0.0 114.878 -173.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -79.03 161.29 26.7 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.203 1.001 . . . . 0.0 111.808 168.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -133.83 153.93 51.38 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.761 1.224 . . . . 0.0 113.166 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -130.2 154.17 47.82 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 126.115 1.766 . . . . 0.0 110.219 172.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.06 136.25 31.84 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.277 1.031 . . . . 0.0 111.307 175.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -132.2 90.71 33.89 Favored Pre-proline 0 CA--C 1.54 0.593 0 C-N-CA 125.351 1.46 . . . . 0.0 110.726 -173.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -63.3 144.08 90.6 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 122.882 2.388 . . . . 0.0 113.166 -178.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.04 -1.17 88.98 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 125.65 1.595 . . . . 0.0 115.151 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 50.7 mt -97.68 164.25 12.49 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 119.307 1.554 . . . . 0.0 113.844 176.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.89 164.87 29.08 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 127.649 2.38 . . . . 0.0 110.449 160.292 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 22.6 mt -72.93 120.43 21.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 O-C-N 121.387 -0.821 . . . . 0.0 109.434 177.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -95.2 -38.21 4.89 Favored Glycine 0 CA--C 1.533 1.205 0 C-N-CA 124.153 0.882 . . . . 0.0 114.091 -175.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 59.5 ttt85 -153.21 145.01 23.52 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.645 1.578 . . . . 0.0 110.867 -175.363 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.0 t -127.79 126.09 66.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 123.52 0.728 . . . . 0.0 109.412 160.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -117.84 89.41 3.11 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 125.173 1.389 . . . . 0.0 110.341 -176.008 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -69.07 -11.24 60.61 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.721 1.608 . . . . 0.0 113.288 -170.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 58.4 mtt85 -63.5 -25.39 68.24 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.562 1.145 . . . . 0.0 112.615 169.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 29.4 t -129.75 -21.37 3.08 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.87 1.668 . . . . 0.0 113.398 -177.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.35 23.91 49.35 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 125.111 1.338 . . . . 0.0 113.852 -177.161 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 59.3 t -91.54 127.91 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 CA-C-N 118.266 1.033 . . . . 0.0 111.313 179.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 57.6 mt -101.97 122.93 54.81 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 C-N-CA 126.644 1.977 . . . . 0.0 108.108 167.012 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 24.3 m -112.22 128.68 56.32 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.063 0.945 . . . . 0.0 111.234 176.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 22.0 mt -97.44 153.29 18.21 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.795 0.838 . . . . 0.0 112.605 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -135.12 159.16 41.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 126.759 2.024 . . . . 0.0 110.464 178.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -73.26 132.19 42.84 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 120.957 -1.09 . . . . 0.0 111.767 174.183 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? . . . . . 0 N--CA 1.474 0.74 0 C-N-CA 123.837 0.855 . . . . 0.0 112.044 170.671 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.859 0 CA-C-O 121.474 0.654 . . . . 0.0 112.124 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.0 ptpt -123.41 144.69 49.33 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.065 1.746 . . . . 0.0 111.331 166.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 65.8 t -100.65 143.53 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 125.497 1.519 . . . . 0.0 110.622 178.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.4 p -128.62 143.38 41.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.534 1.533 . . . . 0.0 111.258 165.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 pp . . . . . 0 N--CA 1.47 0.55 0 C-N-CA 125.671 1.588 . . . . 0.0 111.713 177.041 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 87.2 t . . . . . 0 N--CA 1.476 0.852 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -132.87 151.4 52.04 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.585 1.154 . . . . 0.0 112.895 -178.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -132.38 115.86 26.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 125.575 1.55 . . . . 0.0 109.081 176.086 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.18 156.03 30.48 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 124.163 0.887 . . . . 0.0 114.154 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 53.92 48.41 21.3 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.575 1.55 . . . . 0.0 114.026 171.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.6 m -76.6 128.52 37.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 O-C-N 120.954 -1.091 . . . . 0.0 111.988 178.105 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 93.4 mt -78.03 -31.48 50.47 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.956 0.903 . . . . 0.0 111.17 171.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -157.54 146.84 19.96 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.732 1.213 . . . . 0.0 112.354 -174.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.4 t -140.33 134.3 34.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.7 1.6 . . . . 0.0 109.139 171.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.16 140.9 37.99 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 124.313 1.045 . . . . 0.0 112.563 179.291 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.658 0 C-N-CA 124.446 1.098 . . . . 0.0 110.232 163.535 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.691 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.9 t -98.84 144.99 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 123.712 0.805 . . . . 0.0 110.655 160.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 64.3 mtp180 -127.76 147.81 50.42 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.114 1.766 . . . . 0.0 111.374 170.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -146.69 146.11 19.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.743 1.217 . . . . 0.0 111.694 -172.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.6 m -123.76 130.98 53.47 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.065 1.346 . . . . 0.0 111.138 178.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 40.9 p -94.9 164.16 13.03 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.622 1.169 . . . . 0.0 114.13 -178.259 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.2 tp -49.83 -32.94 15.32 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.646 1.978 . . . . 0.0 113.092 168.093 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -82.37 8.06 12.42 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.35 1.86 . . . . 0.0 113.327 -179.086 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.9 t0 59.93 30.66 20.17 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 127.305 2.242 . . . . 0.0 114.13 -177.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -99.48 140.19 34.04 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.798 1.239 . . . . 0.0 111.223 173.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -97.21 143.38 28.06 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.665 0.745 . . . . 0.0 112.295 170.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -123.91 150.1 45.09 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 126.069 1.747 . . . . 0.0 110.589 170.178 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.05 138.08 31.52 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 124.675 1.19 . . . . 0.0 111.219 -178.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -139.94 91.22 10.41 Favored Pre-proline 0 CA--C 1.545 0.762 0 C-N-CA 125.033 1.333 . . . . 0.0 111.358 -170.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -61.01 146.3 97.94 Favored 'Trans proline' 0 CA--C 1.536 0.602 0 C-N-CA 123.413 2.742 . . . . 0.0 113.402 176.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.88 4.02 89.42 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 125.033 1.302 . . . . 0.0 115.276 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 45.9 mt -104.71 162.97 12.83 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 119.076 1.438 . . . . 0.0 113.536 176.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.35 160.81 39.35 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 127.595 2.358 . . . . 0.0 109.453 164.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 72.7 mt -73.01 122.55 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 O-C-N 120.829 -1.17 . . . . 0.0 109.552 177.286 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.06 -47.19 2.28 Favored Glycine 0 CA--C 1.527 0.842 0 C-N-CA 124.711 1.148 . . . . 0.0 114.065 -175.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -146.97 154.3 41.08 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 118.546 1.173 . . . . 0.0 112.711 -178.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.8 t -133.77 116.24 23.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 126.151 1.781 . . . . 0.0 109.37 169.055 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -103.3 90.33 3.68 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.219 1.408 . . . . 0.0 109.831 -179.262 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -66.77 -23.91 66.13 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.097 -1.002 . . . . 0.0 112.278 -178.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -65.73 -19.54 65.94 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.135 1.374 . . . . 0.0 113.915 170.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.0 m -124.19 -17.87 6.03 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.955 1.302 . . . . 0.0 114.406 -175.003 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.81 34.14 62.64 Favored Glycine 0 CA--C 1.533 1.2 0 CA-C-N 119.109 0.868 . . . . 0.0 113.457 -171.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.3 t -120.64 130.81 74.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.41 1.084 . . . . 0.0 111.537 -174.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 88.9 mt -106.72 136.12 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 126.64 1.976 . . . . 0.0 108.564 169.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.8 t -124.29 127.93 48.38 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.871 0.868 . . . . 0.0 111.26 177.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 27.2 mt -95.88 150.91 19.91 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.299 1.04 . . . . 0.0 111.699 176.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -132.03 161.34 41.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 126.268 1.827 . . . . 0.0 110.641 179.258 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -71.39 135.32 47.21 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 120.922 -1.111 . . . . 0.0 111.596 176.506 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.478 0.974 0 N-CA-C 114.387 1.255 . . . . 0.0 114.387 -176.006 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 5.2 mpp? . . . . . 0 CA--C 1.54 0.561 0 CA-C-O 121.314 0.578 . . . . 0.0 111.988 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -83.28 -179.19 7.32 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.856 1.262 . . . . 0.0 112.314 174.231 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -118.31 151.61 37.37 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.231 1.012 . . . . 0.0 111.937 158.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 76.4 t -103.02 144.83 13.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 124.722 1.209 . . . . 0.0 110.456 172.381 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 10.5 p -131.2 139.08 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 126.14 1.776 . . . . 0.0 110.769 169.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 pp -146.18 164.23 32.89 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.526 1.53 . . . . 0.0 111.442 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 20.6 m -121.96 129.16 52.27 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.135 0.974 . . . . 0.0 110.077 172.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -73.89 165.6 24.84 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.169 1.388 . . . . 0.0 112.062 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.07 -24.21 66.05 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 170.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -74.51 -6.4 48.18 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.717 1.607 . . . . 0.0 113.935 172.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.51 -5.16 84.34 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 125.996 1.76 . . . . 0.0 115.529 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.74 140.84 19.84 Favored Glycine 0 CA--C 1.535 1.308 0 CA-C-N 118.672 1.236 . . . . 0.0 112.883 175.11 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 30.9 mtm105 -81.29 157.24 25.19 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 118.039 0.92 . . . . 0.0 113.3 175.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 87.5 t -136.22 141.81 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 126.526 1.931 . . . . 0.0 109.14 171.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -127.61 143.92 51.12 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.635 1.174 . . . . 0.0 111.719 174.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 38.7 mt -130.77 107.68 14.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 125.612 1.565 . . . . 0.0 108.442 -174.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.69 154.88 40.46 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 123.982 0.801 . . . . 0.0 114.135 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 53.06 53.73 11.51 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.271 1.828 . . . . 0.0 114.621 168.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 18.5 m -79.89 134.1 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 124.439 1.096 . . . . 0.0 112.797 177.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 95.8 mt -81.87 -33.97 30.3 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.166 1.387 . . . . 0.0 112.268 172.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -159.68 144.45 15.19 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.23 0.612 . . . . 0.0 111.799 -171.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 38.6 t -137.31 139.75 43.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 124.962 1.305 . . . . 0.0 110.235 178.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 89.3 mtt180 -142.82 133.24 24.87 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.765 0.826 . . . . 0.0 112.06 -177.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.751 0 C-N-CA 124.679 1.192 . . . . 0.0 109.561 162.072 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.576 0 CA-C-O 120.682 0.277 . . . . 0.0 111.605 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 77.9 t -102.99 131.32 51.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 O-C-N 122.26 -0.275 . . . . 0.0 111.122 160.117 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -100.84 147.64 25.86 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.842 1.657 . . . . 0.0 110.727 168.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 31.7 t -137.63 139.51 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 125.203 1.401 . . . . 0.0 110.153 174.216 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 57.8 m -115.18 130.4 56.91 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.334 1.054 . . . . 0.0 110.035 169.409 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 57.3 p -98.84 168.56 10.05 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.276 1.03 . . . . 0.0 112.594 176.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -57.36 -16.48 9.12 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 178.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -82.5 3.33 28.82 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.044 1.338 . . . . 0.0 113.379 174.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 62.92 13.03 6.27 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 126.935 2.094 . . . . 0.0 114.109 -168.574 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -78.1 139.64 39.04 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 120.865 -1.147 . . . . 0.0 111.877 173.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -102.1 149.26 24.45 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.528 1.131 . . . . 0.0 112.537 174.513 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -136.81 149.09 47.55 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 126.479 1.912 . . . . 0.0 109.52 176.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -139.92 141.25 36.53 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.959 0.904 . . . . 0.0 112.9 -179.204 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -136.47 87.85 21.12 Favored Pre-proline 0 CA--C 1.543 0.691 0 C-N-CA 125.523 1.529 . . . . 0.0 110.807 -170.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -66.08 145.54 79.4 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 123.038 2.492 . . . . 0.0 113.025 -177.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.94 -0.58 89.11 Favored Glycine 0 CA--C 1.537 1.465 0 C-N-CA 124.837 1.208 . . . . 0.0 115.289 -177.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 59.3 mt -100.86 161.18 13.77 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.758 1.279 . . . . 0.0 113.53 176.285 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.53 164.18 30.85 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 127.948 2.499 . . . . 0.0 110.256 163.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 27.4 mt -72.81 121.57 23.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 O-C-N 121.029 -1.045 . . . . 0.0 109.358 176.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.17 -45.21 2.86 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 124.687 1.137 . . . . 0.0 114.013 -176.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 76.6 ttt-85 -150.14 145.13 26.13 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.576 1.15 . . . . 0.0 111.617 -177.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 32.4 t -131.73 120.8 46.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 126.496 1.919 . . . . 0.0 108.282 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -118.61 98.72 6.38 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.297 1.439 . . . . 0.0 110.531 -172.171 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -82.15 -4.09 56.25 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.017 1.327 . . . . 0.0 113.419 -171.027 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 67.8 mtt85 -65.33 -36.42 84.0 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.734 0.814 . . . . 0.0 111.552 174.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 36.7 m -134.83 -5.54 2.45 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.1 1.36 . . . . 0.0 114.501 -175.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.43 65.22 1.96 Allowed Glycine 0 CA--C 1.533 1.184 0 CA-C-N 119.353 0.978 . . . . 0.0 112.804 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 60.7 t -128.66 136.96 58.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 124.277 1.031 . . . . 0.0 111.158 177.055 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 85.8 mt -123.89 120.18 58.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 125.914 1.686 . . . . 0.0 109.323 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 16.0 m -105.0 129.84 53.36 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.68 1.192 . . . . 0.0 111.295 177.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 25.5 mt -99.03 153.01 19.2 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.287 1.035 . . . . 0.0 111.923 176.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -137.05 158.96 36.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 126.727 2.011 . . . . 0.0 111.162 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 19.2 mp0 -66.11 129.56 40.23 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.633 0.773 . . . . 0.0 111.926 175.08 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.787 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -175.132 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.491 0 CA-C-O 121.444 0.64 . . . . 0.0 112.651 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -117.09 134.27 54.97 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.463 1.105 . . . . 0.0 111.285 163.086 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 88.4 t -99.85 141.66 16.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 124.907 1.283 . . . . 0.0 109.867 176.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.1 p -141.52 141.83 29.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.86 1.264 . . . . 0.0 112.392 -177.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp . . . . . 0 CA--C 1.539 0.552 0 C-N-CA 126.13 1.772 . . . . 0.0 112.412 -179.168 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 93.4 t . . . . . 0 N--CA 1.471 0.599 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -127.88 136.92 52.05 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.716 1.606 . . . . 0.0 110.935 177.118 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.0 mt -133.9 109.59 13.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.688 1.195 . . . . 0.0 109.076 -174.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.68 175.33 45.39 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 124.286 0.946 . . . . 0.0 113.587 176.268 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 56.25 29.96 15.81 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.993 1.317 . . . . 0.0 113.993 177.106 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 72.3 t -73.23 114.33 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 124.439 1.096 . . . . 0.0 109.818 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.0 tp -86.21 -27.55 24.43 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.578 1.151 . . . . 0.0 111.82 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -155.43 148.92 25.05 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.082 1.353 . . . . 0.0 112.388 177.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.3 p -143.06 143.9 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 125.533 1.533 . . . . 0.0 110.702 173.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -134.92 143.99 47.23 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 126.051 1.74 . . . . 0.0 111.598 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.588 0 C-N-CA 124.211 1.004 . . . . 0.0 109.034 160.064 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.419 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 82.1 t -98.44 145.7 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 O-C-N 121.564 -0.71 . . . . 0.0 109.73 157.438 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -137.03 131.74 33.26 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.452 1.501 . . . . 0.0 110.195 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.5 m -119.27 152.16 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 124.821 1.248 . . . . 0.0 111.899 -177.188 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 64.6 m -130.56 121.3 25.44 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.72 1.608 . . . . 0.0 109.65 174.063 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 42.0 p -83.7 161.0 21.19 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.458 0.703 . . . . 0.0 111.724 172.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.5 pp -65.37 -10.53 34.03 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 171.22 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -81.2 3.55 23.35 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 124.667 1.187 . . . . 0.0 113.15 171.185 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 63.44 11.41 5.54 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 127.391 2.277 . . . . 0.0 114.584 -171.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -82.32 141.58 32.76 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.073 -1.017 . . . . 0.0 111.183 170.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -122.6 152.7 40.18 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 125.124 1.37 . . . . 0.0 112.614 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -138.35 154.0 48.96 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.363 1.465 . . . . 0.0 110.418 171.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.38 145.14 34.99 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.908 0.883 . . . . 0.0 111.838 -178.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -138.5 92.03 12.0 Favored Pre-proline 0 CA--C 1.543 0.694 0 C-N-CA 125.468 1.507 . . . . 0.0 110.855 -170.266 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -60.76 147.27 95.59 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 123.589 2.859 . . . . 0.0 113.545 177.041 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.63 3.82 90.35 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 124.797 1.189 . . . . 0.0 114.522 178.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 56.6 mt -108.07 163.15 13.4 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 118.802 1.301 . . . . 0.0 113.027 176.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.92 160.06 40.65 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 127.604 2.362 . . . . 0.0 110.264 165.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 43.0 mt -68.24 117.97 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 O-C-N 121.468 -0.77 . . . . 0.0 109.063 174.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.43 -48.43 2.0 Favored Glycine 0 CA--C 1.528 0.844 0 C-N-CA 124.021 0.819 . . . . 0.0 114.353 -170.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 75.1 ttt-85 -152.62 140.16 19.73 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.547 1.139 . . . . 0.0 110.828 -174.331 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.1 t -119.55 134.27 63.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 123.698 0.799 . . . . 0.0 109.408 169.341 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -131.14 92.89 3.28 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.454 1.502 . . . . 0.0 110.637 -174.208 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -73.28 -15.24 61.41 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.616 1.166 . . . . 0.0 113.604 -166.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 50.0 mtm180 -66.88 -23.97 66.06 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.367 1.067 . . . . 0.0 112.325 173.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.1 m -124.1 -7.94 7.7 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.635 1.574 . . . . 0.0 113.937 178.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.36 21.88 79.21 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 125.273 1.416 . . . . 0.0 114.276 -178.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 96.0 t -93.14 137.15 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.721 1.208 . . . . 0.0 111.616 -173.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 86.0 mt -117.41 102.31 13.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 127.053 2.141 . . . . 0.0 108.016 172.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.9 m -90.21 127.76 36.21 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.073 0.949 . . . . 0.0 110.875 179.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.6 mt -92.99 153.86 18.49 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.597 0.759 . . . . 0.0 111.97 175.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -134.29 160.9 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 125.895 1.678 . . . . 0.0 111.044 178.207 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -71.27 134.88 47.13 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.151 -0.968 . . . . 0.0 111.956 177.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? . . . . . 0 N--CA 1.474 0.766 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -178.919 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 3.6 mpp? . . . . . 0 N--CA 1.47 0.574 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -151.3 159.23 44.43 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.961 1.305 . . . . 0.0 112.147 -177.471 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -101.65 134.82 44.2 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.341 1.456 . . . . 0.0 111.068 172.328 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 4.6 t -100.18 138.74 23.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 125.286 1.434 . . . . 0.0 109.69 165.306 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -139.65 140.99 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 124.906 1.282 . . . . 0.0 112.313 -179.278 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 pp -142.79 156.62 45.0 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.744 1.617 . . . . 0.0 112.653 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 16.8 m -107.27 131.56 54.06 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.721 1.209 . . . . 0.0 110.872 172.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -80.25 162.98 24.34 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.393 1.877 . . . . 0.0 112.931 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.1 -23.88 67.28 Favored 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 174.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 47.0 p30 -80.79 0.19 35.9 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.109 1.364 . . . . 0.0 113.727 175.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.84 -6.83 82.18 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 125.118 1.342 . . . . 0.0 115.234 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.73 174.6 52.56 Favored Glycine 0 CA--C 1.54 1.652 0 CA-C-N 119.109 1.454 . . . . 0.0 113.275 170.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -130.01 152.55 49.34 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.148 1.379 . . . . 0.0 113.114 178.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 97.5 t -128.68 138.51 54.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 126.171 1.788 . . . . 0.0 109.308 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -129.15 141.45 51.17 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.194 1.397 . . . . 0.0 111.225 -177.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 92.5 mt -132.14 111.23 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 125.738 1.615 . . . . 0.0 108.307 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.57 168.31 41.79 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.302 0.953 . . . . 0.0 114.197 178.01 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 53.26 43.21 31.8 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.93 1.692 . . . . 0.0 113.922 172.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 90.4 t -71.08 129.8 34.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 124.49 1.116 . . . . 0.0 111.46 -178.321 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 96.2 mt -89.21 -39.0 13.84 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.733 1.213 . . . . 0.0 112.305 170.294 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -151.53 142.92 23.44 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.589 1.156 . . . . 0.0 111.676 -177.255 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 7.2 p -142.87 144.67 23.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 125.023 1.329 . . . . 0.0 110.606 173.33 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -137.2 144.78 43.04 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.116 1.367 . . . . 0.0 112.658 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.728 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 152.101 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.499 0 CA-C-O 120.681 0.277 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 49.9 t -99.74 135.79 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 O-C-N 121.85 -0.531 . . . . 0.0 110.745 162.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -119.13 143.88 46.95 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.408 1.883 . . . . 0.0 109.985 171.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 9.8 p -147.66 145.8 18.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 C-N-CA 124.496 1.118 . . . . 0.0 112.811 -174.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 63.1 m -129.12 132.56 47.4 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.858 2.063 . . . . 0.0 111.043 -176.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 32.3 p -105.05 167.1 9.93 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.559 1.144 . . . . 0.0 113.929 -175.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 51.7 tp -45.97 -35.76 4.98 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 127.608 2.363 . . . . 0.0 114.237 170.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -84.45 6.75 22.19 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.081 1.752 . . . . 0.0 113.889 -176.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 61.4 11.58 3.79 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.797 2.039 . . . . 0.0 114.35 -170.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -76.39 142.04 41.26 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 120.973 -1.079 . . . . 0.0 110.499 169.181 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -124.43 151.27 44.7 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.881 1.272 . . . . 0.0 112.116 -178.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 -138.01 156.88 47.37 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.626 1.57 . . . . 0.0 111.539 179.118 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -145.65 143.78 30.04 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.206 1.002 . . . . 0.0 112.376 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -142.95 95.25 6.24 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 125.645 1.578 . . . . 0.0 111.886 -169.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -60.72 146.64 96.94 Favored 'Trans proline' 0 CA--C 1.54 0.816 0 C-N-CA 123.673 2.915 . . . . 0.0 114.013 178.217 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.1 4.81 89.79 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 124.399 1.0 . . . . 0.0 115.119 177.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 48.0 mt -105.87 161.88 14.06 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 118.614 1.207 . . . . 0.0 113.769 177.398 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.73 163.59 32.88 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 127.944 2.498 . . . . 0.0 110.063 165.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 32.0 mt -74.31 124.88 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 O-C-N 121.27 -0.894 . . . . 0.0 109.124 175.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -103.5 -36.03 3.41 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 124.41 1.005 . . . . 0.0 114.651 -173.42 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 76.0 ttt-85 -157.44 147.57 20.73 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-N 118.658 1.229 . . . . 0.0 111.022 -175.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 13.8 t -130.3 133.12 64.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 123.937 0.895 . . . . 0.0 109.712 167.127 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -125.64 101.2 6.78 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.652 1.581 . . . . 0.0 110.875 -174.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -81.94 -3.94 55.48 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.595 1.158 . . . . 0.0 112.971 -171.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 65.2 mtt85 -64.51 -27.53 69.03 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.31 1.044 . . . . 0.0 112.0 166.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 45.6 m -131.81 -12.27 3.35 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.7 1.6 . . . . 0.0 114.202 -174.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.76 41.3 34.72 Favored Glycine 0 CA--C 1.532 1.097 0 C-N-CA 124.17 0.89 . . . . 0.0 113.024 -178.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 43.1 t -117.07 135.06 58.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.553 1.141 . . . . 0.0 111.845 -175.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 44.9 mt -116.35 114.74 46.94 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 C-N-CA 127.744 2.418 . . . . 0.0 107.951 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 22.9 t -105.41 132.71 51.25 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.782 1.233 . . . . 0.0 111.926 -176.003 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 mp -103.32 148.2 26.14 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.814 1.646 . . . . 0.0 111.382 -176.359 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -135.43 160.36 40.13 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 126.272 1.829 . . . . 0.0 111.407 -177.438 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 26.5 mp0 -70.84 127.12 31.54 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.274 1.03 . . . . 0.0 112.008 177.311 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? . . . . . 0 N--CA 1.476 0.85 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 -171.361 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.579 0 CA-C-O 121.123 0.487 . . . . 0.0 109.901 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -138.41 135.52 35.34 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.306 1.442 . . . . 0.0 111.123 173.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.2 t -101.66 142.96 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 125.266 1.426 . . . . 0.0 110.453 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.9 p -136.68 140.27 43.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 125.316 1.446 . . . . 0.0 111.638 172.153 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 pp . . . . . 0 N--CA 1.469 0.5 0 C-N-CA 125.642 1.577 . . . . 0.0 112.005 -177.084 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 52.9 t . . . . . 0 N--CA 1.477 0.923 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.0 mp0 -131.32 142.47 50.1 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.552 1.541 . . . . 0.0 110.771 177.03 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 32.9 mt -135.28 122.66 36.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 125.034 1.334 . . . . 0.0 109.222 -178.343 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -96.23 173.23 29.97 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 124.72 1.152 . . . . 0.0 113.834 173.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 54.67 40.36 31.84 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.14 1.376 . . . . 0.0 114.117 175.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 83.7 t -78.21 128.72 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 125.446 1.498 . . . . 0.0 112.096 -176.287 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 89.4 mt -92.38 -33.77 14.44 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.282 1.433 . . . . 0.0 112.772 172.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 62.8 tt0 -157.64 147.39 20.25 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 118.781 0.719 . . . . 0.0 112.103 -169.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.1 t -137.8 139.76 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.707 1.603 . . . . 0.0 110.011 175.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -137.88 114.99 10.89 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.598 1.159 . . . . 0.0 112.393 178.171 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.735 0 C-N-CA 125.964 1.706 . . . . 0.0 110.097 169.166 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.526 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 82.8 t -100.24 136.63 30.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 122.936 0.495 . . . . 0.0 110.487 164.392 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.0 mtt85 -116.57 150.5 37.91 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.861 1.665 . . . . 0.0 110.069 173.16 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.1 t -136.69 140.89 42.31 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 125.416 1.486 . . . . 0.0 110.324 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 36.0 m -123.89 145.0 49.42 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.251 1.421 . . . . 0.0 110.839 177.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 49.3 p -130.54 163.9 26.05 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.87 1.268 . . . . 0.0 112.19 -176.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.98 -5.71 13.9 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 115.424 1.638 . . . . 0.0 115.424 -179.269 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -78.02 0.73 23.36 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.651 1.181 . . . . 0.0 113.274 170.204 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 61.01 13.3 4.49 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 126.673 1.989 . . . . 0.0 114.016 -164.227 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -83.84 155.56 22.9 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.76 1.224 . . . . 0.0 112.266 172.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -137.07 150.38 48.0 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.697 1.599 . . . . 0.0 112.372 -178.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 -132.19 154.0 50.0 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.945 1.698 . . . . 0.0 110.689 -179.36 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -146.13 140.18 26.5 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.042 0.937 . . . . 0.0 112.817 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -141.25 95.55 7.37 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 125.411 1.484 . . . . 0.0 111.12 -170.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -60.33 149.37 86.18 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 123.878 3.052 . . . . 0.0 113.507 175.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.37 9.8 86.11 Favored Glycine 0 CA--C 1.533 1.169 0 C-N-CA 124.827 1.203 . . . . 0.0 115.254 175.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.8 mt -111.47 161.97 15.58 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.846 1.258 . . . . 0.0 113.822 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -146.14 163.04 36.6 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 127.562 2.345 . . . . 0.0 110.467 165.219 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 23.2 mt -74.52 123.57 30.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 O-C-N 121.119 -0.988 . . . . 0.0 110.044 177.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -88.07 -45.32 5.11 Favored Glycine 0 N--CA 1.471 0.97 0 C-N-CA 124.603 1.097 . . . . 0.0 113.308 177.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -156.19 162.71 40.16 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.71 1.204 . . . . 0.0 113.144 173.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.35 124.24 51.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.826 1.251 . . . . 0.0 109.147 170.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -110.0 91.34 3.61 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.927 1.691 . . . . 0.0 110.409 -177.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -67.96 -16.39 64.04 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.714 1.206 . . . . 0.0 113.38 -171.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.9 mtm180 -61.47 -26.76 68.1 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.883 0.873 . . . . 0.0 113.075 173.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.2 t -134.22 4.38 3.46 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.808 1.243 . . . . 0.0 113.507 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.77 18.23 72.07 Favored Glycine 0 CA--C 1.539 1.559 0 C-N-CA 124.777 1.18 . . . . 0.0 115.076 -178.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.7 t -81.55 124.18 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 CA-C-N 118.816 1.308 . . . . 0.0 111.052 -176.216 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 97.3 mt -106.98 115.8 49.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 126.56 1.944 . . . . 0.0 108.628 173.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.4 t -103.64 125.26 50.04 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.405 1.082 . . . . 0.0 111.355 -178.412 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 27.0 mt -102.36 148.56 25.33 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.471 1.109 . . . . 0.0 112.171 177.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.7 pp -133.84 162.09 39.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 126.934 2.094 . . . . 0.0 110.491 -179.361 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -69.42 128.66 37.33 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.502 -0.749 . . . . 0.0 111.522 176.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? . . . . . 0 N--CA 1.476 0.854 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -175.053 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 53.3 mtm . . . . . 0 N--CA 1.469 0.483 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -102.05 179.49 4.31 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.015 1.326 . . . . 0.0 112.241 177.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.53 142.12 48.62 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.694 1.198 . . . . 0.0 111.709 158.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 19.8 t -99.71 145.28 10.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 125.692 1.597 . . . . 0.0 110.093 -179.158 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 12.4 p -135.13 141.16 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 125.108 1.363 . . . . 0.0 111.631 171.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -149.83 155.86 40.81 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.556 1.542 . . . . 0.0 112.613 -176.735 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 17.0 m -116.1 132.83 56.54 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.142 1.377 . . . . 0.0 110.916 178.282 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -85.22 160.55 19.86 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 126.372 1.869 . . . . 0.0 112.075 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.69 -24.94 67.9 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 177.151 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -78.21 -0.73 29.66 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 125.03 1.332 . . . . 0.0 113.51 174.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.54 -3.85 86.56 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 125.517 1.532 . . . . 0.0 115.358 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.84 166.07 54.41 Favored Glycine 0 N--CA 1.476 1.3 0 CA-C-N 118.676 1.238 . . . . 0.0 112.843 172.272 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -127.5 152.49 47.52 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.836 1.255 . . . . 0.0 113.563 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 96.2 t -131.84 141.6 45.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 125.666 1.586 . . . . 0.0 109.76 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -130.29 141.88 50.58 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.254 1.422 . . . . 0.0 111.737 177.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 53.1 mt -138.6 110.98 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 124.713 1.205 . . . . 0.0 109.309 -169.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.79 162.72 33.04 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 124.464 1.031 . . . . 0.0 115.428 -175.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 55.96 45.01 24.69 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.259 1.823 . . . . 0.0 113.821 170.116 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 3.2 p -79.78 127.62 39.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 123.976 0.911 . . . . 0.0 111.334 -178.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 86.4 mt -82.69 -34.43 27.34 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.408 1.483 . . . . 0.0 112.671 173.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -155.94 143.67 19.57 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.39 1.076 . . . . 0.0 112.341 -179.31 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 19.0 m -124.82 145.25 32.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 125.101 1.36 . . . . 0.0 110.548 167.099 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -138.19 138.45 38.57 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.125 1.37 . . . . 0.0 111.035 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.548 0 C-N-CA 123.752 0.821 . . . . 0.0 108.982 164.15 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.717 0 CA-C-O 120.397 0.141 . . . . 0.0 111.323 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 60.9 t -106.58 141.0 22.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 122.921 0.489 . . . . 0.0 111.365 162.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -118.21 143.17 46.74 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 126.649 1.98 . . . . 0.0 110.108 171.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 3.7 m -137.93 140.14 41.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.804 1.242 . . . . 0.0 110.72 -177.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 92.8 m -132.74 132.95 42.86 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.614 1.166 . . . . 0.0 111.638 -173.625 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 29.8 p -113.71 169.17 9.18 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.96 1.304 . . . . 0.0 113.51 -174.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -60.77 -14.96 24.66 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 115.975 1.843 . . . . 0.0 115.975 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -81.47 4.09 22.38 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.882 1.273 . . . . 0.0 113.627 174.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 61.77 14.3 6.08 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.329 1.852 . . . . 0.0 114.036 -166.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -79.44 155.4 28.35 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.159 0.983 . . . . 0.0 112.265 171.308 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -144.27 141.61 29.93 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.46 1.504 . . . . 0.0 110.804 -175.59 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -134.52 153.66 51.83 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.424 1.49 . . . . 0.0 110.316 178.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -140.07 141.82 36.18 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.468 1.107 . . . . 0.0 112.62 -176.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -138.18 96.98 9.85 Favored Pre-proline 0 CA--C 1.546 0.805 0 C-N-CA 125.697 1.599 . . . . 0.0 111.048 -169.18 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -62.43 147.86 94.21 Favored 'Trans proline' 0 CA--C 1.533 0.469 0 C-N-CA 123.951 3.101 . . . . 0.0 113.737 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.66 3.08 90.66 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 124.924 1.25 . . . . 0.0 114.452 176.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 63.6 mt -107.42 161.28 14.96 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 118.934 1.367 . . . . 0.0 113.587 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.61 161.49 37.93 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 128.596 2.758 . . . . 0.0 109.91 167.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 22.6 mt -74.3 122.83 28.41 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 O-C-N 120.992 -1.068 . . . . 0.0 109.87 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.61 -49.24 1.31 Allowed Glycine 0 CA--C 1.53 1.005 0 C-N-CA 124.58 1.086 . . . . 0.0 114.529 -173.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -143.24 156.82 44.83 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 118.127 0.964 . . . . 0.0 112.867 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 12.2 t -135.76 131.55 50.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 126.436 1.895 . . . . 0.0 109.03 172.403 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -130.55 111.49 12.31 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.03 1.332 . . . . 0.0 110.114 173.446 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -81.04 -15.01 57.3 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.966 0.906 . . . . 0.0 113.382 -175.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 56.2 mtm180 -68.98 -45.93 69.39 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.612 1.165 . . . . 0.0 111.509 175.093 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 12.3 m -88.87 -19.4 25.92 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.773 1.229 . . . . 0.0 113.565 173.117 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.66 36.9 58.09 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 124.345 0.974 . . . . 0.0 113.398 -171.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 71.5 t -109.3 139.93 30.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 125.318 1.447 . . . . 0.0 112.281 -172.055 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 73.6 mt -119.65 128.76 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 125.982 1.713 . . . . 0.0 108.422 170.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 24.4 m -114.3 128.35 56.31 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.089 0.955 . . . . 0.0 111.051 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 23.6 mt -94.61 152.3 18.62 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.003 0.921 . . . . 0.0 112.415 176.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -135.96 164.39 32.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 126.647 1.979 . . . . 0.0 110.772 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -70.31 132.04 45.07 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.898 -1.126 . . . . 0.0 112.229 177.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? . . . . . 0 N--CA 1.479 0.993 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 -176.291 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.869 0 CA-C-O 121.999 0.904 . . . . 0.0 113.411 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -135.95 143.85 45.11 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.444 1.897 . . . . 0.0 110.753 170.36 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.0 t -99.16 143.72 12.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 124.734 1.213 . . . . 0.0 109.953 179.597 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.5 p -133.97 145.6 32.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 125.728 1.611 . . . . 0.0 111.043 167.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.537 0.448 0 C-N-CA 124.416 1.086 . . . . 0.0 113.221 -178.286 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.4 t . . . . . 0 N--CA 1.477 0.893 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -129.49 142.93 50.66 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.827 1.651 . . . . 0.0 111.201 175.243 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 46.0 mt -133.04 112.65 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 125.461 1.504 . . . . 0.0 109.215 -178.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.75 162.26 32.75 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 124.363 0.982 . . . . 0.0 114.149 175.101 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 52.43 43.44 30.93 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 126.051 1.74 . . . . 0.0 113.715 174.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.2 p -73.69 135.97 26.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 124.012 0.925 . . . . 0.0 111.133 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.6 mt -94.48 -35.15 12.43 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.365 1.066 . . . . 0.0 112.275 175.15 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -155.15 143.48 20.33 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.019 0.928 . . . . 0.0 112.355 -175.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.9 t -133.89 140.75 45.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 125.843 1.657 . . . . 0.0 109.716 174.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -134.01 146.44 50.4 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.711 1.605 . . . . 0.0 111.325 175.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.527 0 C-N-CA 125.458 1.503 . . . . 0.0 111.263 176.473 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.782 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.8 t -87.89 147.8 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 124.254 1.022 . . . . 0.0 110.284 160.697 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -134.95 142.88 46.6 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 126.479 1.912 . . . . 0.0 110.578 177.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -148.49 145.64 18.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 124.074 0.95 . . . . 0.0 112.181 -174.086 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 42.3 m -133.85 132.67 40.64 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.497 1.119 . . . . 0.0 112.547 -177.553 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 44.5 p -102.74 167.14 10.08 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.581 1.552 . . . . 0.0 113.392 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.45 -8.99 45.75 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.552 1.316 . . . . 0.0 114.552 171.12 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -78.19 1.85 20.08 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.285 1.034 . . . . 0.0 112.595 171.342 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.306 2.0 p30 56.77 10.95 0.81 Allowed 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 128.936 2.895 . . . . 0.0 114.686 -165.252 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -74.37 129.01 36.98 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.349 1.06 . . . . 0.0 111.187 171.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -102.43 148.36 25.6 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.177 1.391 . . . . 0.0 111.426 175.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -134.07 145.06 49.03 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.094 1.758 . . . . 0.0 110.36 179.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -148.43 140.71 24.17 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.17 0.988 . . . . 0.0 112.084 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -142.23 101.63 5.7 Favored Pre-proline 0 CA--C 1.545 0.751 0 C-N-CA 124.567 1.147 . . . . 0.0 111.967 -170.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -61.34 148.09 93.85 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 123.374 2.716 . . . . 0.0 114.07 176.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.16 3.89 82.54 Favored Glycine 0 CA--C 1.539 1.542 0 C-N-CA 125.358 1.456 . . . . 0.0 115.674 175.473 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 73.0 mt -100.83 163.62 12.23 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.645 1.223 . . . . 0.0 113.411 177.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.83 160.06 40.97 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 127.94 2.496 . . . . 0.0 109.483 163.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 20.6 mt -71.57 123.38 25.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 O-C-N 120.484 -1.385 . . . . 0.0 108.894 175.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.5 -34.19 5.1 Favored Glycine 0 CA--C 1.529 0.922 0 C-N-CA 124.839 1.209 . . . . 0.0 114.195 -174.594 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -158.02 147.66 19.88 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 118.463 1.131 . . . . 0.0 111.474 -173.267 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.7 t -130.91 126.84 60.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 160.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -117.09 111.36 19.42 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.875 1.27 . . . . 0.0 109.412 174.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -81.93 -15.17 54.78 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.492 1.117 . . . . 0.0 112.646 -172.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 34.2 mtm180 -70.19 -35.13 73.72 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.273 1.029 . . . . 0.0 111.468 175.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 80.5 p -105.56 -11.81 16.22 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.911 1.684 . . . . 0.0 113.539 177.297 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.86 30.6 67.94 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 124.977 1.275 . . . . 0.0 113.926 -177.548 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.3 t -104.41 126.64 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.696 1.199 . . . . 0.0 112.123 -175.141 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.5 mt -97.13 134.5 34.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 126.073 1.749 . . . . 0.0 107.667 162.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.4 t -127.65 132.9 49.67 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.215 1.006 . . . . 0.0 111.871 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.9 mt -98.49 152.14 19.86 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.746 1.219 . . . . 0.0 112.23 178.238 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -135.16 160.29 40.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 126.915 2.086 . . . . 0.0 110.908 178.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -68.2 130.12 41.98 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.424 -0.797 . . . . 0.0 111.411 175.353 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? . . . . . 0 N--CA 1.474 0.757 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -168.093 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 60.2 mtm . . . . . 0 N--CA 1.471 0.603 0 CA-C-O 120.97 0.414 . . . . 0.0 111.813 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.68 163.31 18.34 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.154 0.982 . . . . 0.0 113.366 -178.003 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -96.79 141.81 29.56 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.487 1.915 . . . . 0.0 110.405 165.385 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 59.6 t -113.92 141.89 28.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 125.273 1.429 . . . . 0.0 109.76 169.316 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -139.73 143.03 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 125.214 1.406 . . . . 0.0 112.042 178.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 pp -144.45 154.56 43.07 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.89 1.676 . . . . 0.0 111.178 178.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 37.2 m -119.4 122.3 41.46 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.25 1.02 . . . . 0.0 110.101 172.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -71.86 163.7 27.36 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.385 1.074 . . . . 0.0 112.037 178.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.03 -27.39 68.29 Favored 'General case' 0 CA--C 1.552 1.047 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 -178.373 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -79.56 2.97 20.29 Favored 'General case' 0 CA--C 1.556 1.181 0 C-N-CA 125.592 1.557 . . . . 0.0 113.659 174.155 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.36 0.49 90.11 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 125.71 1.624 . . . . 0.0 115.242 -177.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.99 114.77 4.06 Favored Glycine 0 CA--C 1.532 1.133 0 CA-C-N 118.849 1.325 . . . . 0.0 112.589 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 19.4 ttp180 -77.5 144.96 37.29 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 124.564 1.146 . . . . 0.0 112.707 176.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 60.0 t -132.2 134.84 59.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 126.133 1.773 . . . . 0.0 109.207 176.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -132.55 137.45 47.13 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.394 1.478 . . . . 0.0 111.2 -173.104 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 65.6 mt -134.91 111.83 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 125.388 1.475 . . . . 0.0 109.154 -172.183 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.94 158.9 35.44 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 123.562 0.601 . . . . 0.0 113.558 175.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 56.61 48.86 15.69 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.744 1.618 . . . . 0.0 114.866 167.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 19.1 m -76.83 134.51 28.62 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 O-C-N 121.086 -1.008 . . . . 0.0 111.91 168.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 91.8 mt -75.98 -35.11 59.74 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.409 1.084 . . . . 0.0 110.509 165.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -155.97 149.21 24.54 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.791 1.236 . . . . 0.0 111.994 -172.118 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 7.1 p -140.18 141.64 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 126.215 1.806 . . . . 0.0 109.963 172.255 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -137.75 131.48 31.35 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.606 1.563 . . . . 0.0 111.054 -177.143 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.695 0 C-N-CA 124.512 1.125 . . . . 0.0 109.181 161.36 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.685 0 CA-C-O 120.91 0.386 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 77.8 t -109.72 142.16 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 O-C-N 121.464 -0.772 . . . . 0.0 110.908 162.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 25.0 mtp-105 -126.22 152.97 45.36 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.294 1.437 . . . . 0.0 111.133 169.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 29.4 m -132.45 153.17 37.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 125.765 1.626 . . . . 0.0 111.915 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 54.9 m -129.44 131.2 46.69 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.613 1.565 . . . . 0.0 109.78 174.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 23.4 p -110.9 169.05 9.02 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.316 1.046 . . . . 0.0 113.392 -175.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -56.23 -19.06 12.25 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 115.446 1.646 . . . . 0.0 115.446 175.044 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -82.85 2.36 34.63 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.168 1.387 . . . . 0.0 113.196 176.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 60.64 14.86 5.28 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 126.031 1.732 . . . . 0.0 113.94 -165.441 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -76.42 154.05 35.14 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.968 0.907 . . . . 0.0 111.8 170.112 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -132.18 146.29 51.93 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 124.646 1.178 . . . . 0.0 111.675 173.023 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -138.3 154.53 49.01 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.613 1.565 . . . . 0.0 110.871 -178.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -140.77 144.13 35.3 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.926 0.89 . . . . 0.0 113.21 -171.328 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -141.8 93.69 7.5 Favored Pre-proline 0 CA--C 1.544 0.735 0 C-N-CA 125.61 1.564 . . . . 0.0 110.396 -170.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -62.86 149.56 91.06 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 123.738 2.959 . . . . 0.0 114.048 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.86 4.19 90.44 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 125.0 1.286 . . . . 0.0 114.872 176.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 57.2 mt -106.77 160.4 15.51 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.984 1.314 . . . . 0.0 113.838 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.49 162.66 34.81 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 127.617 2.367 . . . . 0.0 109.862 165.071 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 30.6 mt -73.7 125.31 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 O-C-N 121.363 -0.836 . . . . 0.0 109.014 176.492 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -108.45 -34.24 2.72 Favored Glycine 0 CA--C 1.532 1.133 0 C-N-CA 124.189 0.899 . . . . 0.0 115.27 -170.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -157.59 148.98 21.71 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 118.342 1.071 . . . . 0.0 111.46 -177.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 38.7 t -138.12 122.0 21.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 125.432 1.493 . . . . 0.0 110.04 176.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -109.65 102.84 11.64 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.544 1.138 . . . . 0.0 110.317 177.059 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -74.92 -18.37 60.42 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.656 -0.652 . . . . 0.0 112.568 -178.462 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 84.7 mtp180 -65.2 -23.3 67.05 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.946 1.298 . . . . 0.0 113.237 170.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 50.6 m -122.89 -18.03 6.6 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.117 1.367 . . . . 0.0 114.207 -177.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.45 31.19 59.25 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.622 1.106 . . . . 0.0 113.74 -175.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 17.8 t -117.51 135.93 56.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.666 1.186 . . . . 0.0 111.67 -175.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 97.0 mt -117.31 118.8 59.83 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 C-N-CA 127.666 2.386 . . . . 0.0 108.6 -176.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 18.2 m -103.06 131.37 50.1 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.731 1.212 . . . . 0.0 111.219 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 21.7 mt -95.96 153.57 17.69 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.623 1.169 . . . . 0.0 111.928 175.064 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -135.26 161.64 39.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 C-N-CA 126.836 2.054 . . . . 0.0 111.029 178.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -69.0 132.3 46.45 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.536 -0.728 . . . . 0.0 111.228 175.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? . . . . . 0 N--CA 1.476 0.852 0 N-CA-C 114.847 1.425 . . . . 0.0 114.847 -164.35 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.849 0 CA-C-O 122.12 0.962 . . . . 0.0 113.051 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.2 133.16 53.61 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.739 1.615 . . . . 0.0 110.806 164.027 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.6 t -100.55 144.26 12.87 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 124.907 1.283 . . . . 0.0 110.508 -179.548 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.8 p -133.35 142.79 40.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 125.172 1.389 . . . . 0.0 111.719 170.227 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 CA--C 1.538 0.501 0 C-N-CA 125.435 1.494 . . . . 0.0 112.682 -178.439 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.9 t . . . . . 0 N--CA 1.475 0.819 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -126.78 140.69 52.19 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.777 1.631 . . . . 0.0 111.369 176.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.0 mt -136.24 110.73 10.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 124.8 1.24 . . . . 0.0 109.874 -172.147 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.6 162.5 30.46 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.51 1.052 . . . . 0.0 114.35 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 54.09 42.02 31.77 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.414 1.886 . . . . 0.0 114.009 174.377 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.6 p -72.87 126.27 33.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 O-C-N 121.231 -0.918 . . . . 0.0 111.092 178.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.0 mt -83.16 -34.8 25.93 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.712 1.205 . . . . 0.0 111.505 173.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 65.2 tt0 -153.35 142.64 21.53 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.663 1.185 . . . . 0.0 112.27 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.9 p -132.22 145.64 34.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 126.104 1.762 . . . . 0.0 110.145 170.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -153.09 147.0 25.33 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.279 1.031 . . . . 0.0 112.722 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.528 0 C-N-CA 124.85 1.26 . . . . 0.0 108.96 168.75 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.588 0 N-CA-C 111.477 0.177 . . . . 0.0 111.477 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 66.9 t -88.68 139.87 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 O-C-N 121.865 -0.522 . . . . 0.0 110.091 160.064 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.3 mtt-85 -131.39 142.29 50.02 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 125.925 1.69 . . . . 0.0 109.266 -173.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.2 m -131.96 150.7 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 125.065 1.346 . . . . 0.0 111.997 -175.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 57.4 m -127.3 124.82 39.65 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.881 1.672 . . . . 0.0 109.541 170.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 40.5 p -98.14 166.57 11.35 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.512 1.125 . . . . 0.0 113.413 -176.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.3 tp -48.93 -31.06 6.71 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.968 2.107 . . . . 0.0 113.706 173.033 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -84.85 6.96 22.58 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.478 1.511 . . . . 0.0 113.893 -177.349 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 61.65 11.15 3.75 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.927 2.091 . . . . 0.0 114.606 -169.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -80.03 147.35 31.54 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.111 0.964 . . . . 0.0 111.408 172.199 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -130.12 148.2 51.94 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.205 1.402 . . . . 0.0 112.078 -176.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -140.99 158.84 43.37 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.285 1.434 . . . . 0.0 111.51 177.061 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.42 145.92 34.31 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.734 1.214 . . . . 0.0 112.37 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -138.72 94.88 10.11 Favored Pre-proline 0 CA--C 1.542 0.66 0 C-N-CA 126.388 1.875 . . . . 0.0 110.638 -168.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -60.9 148.51 92.23 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 123.666 2.911 . . . . 0.0 114.748 -178.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.2 1.01 87.61 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 124.986 1.279 . . . . 0.0 114.988 176.324 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 52.6 mt -97.28 162.69 13.23 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 118.985 1.393 . . . . 0.0 114.05 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.98 161.95 36.36 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 127.282 2.233 . . . . 0.0 110.74 162.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 41.5 mt -73.67 120.69 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 O-C-N 121.2 -0.938 . . . . 0.0 109.462 175.421 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.76 -48.11 2.0 Favored Glycine 0 CA--C 1.529 0.912 0 C-N-CA 124.115 0.864 . . . . 0.0 113.931 -173.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 75.9 ttt-85 -147.54 146.62 29.51 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.845 1.258 . . . . 0.0 112.186 -176.177 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 50.4 t -133.73 123.06 44.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 126.652 1.981 . . . . 0.0 108.384 177.251 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -124.58 94.84 4.32 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.238 1.415 . . . . 0.0 110.585 -170.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -74.76 -8.68 57.17 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.38 1.472 . . . . 0.0 113.241 -171.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 58.2 mtt85 -64.32 -23.91 67.46 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.527 1.131 . . . . 0.0 112.789 173.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.3 t -137.28 -21.55 1.18 Allowed 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 126.204 1.802 . . . . 0.0 113.507 178.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 85.44 36.78 10.31 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 120.956 -1.09 . . . . 0.0 113.081 -172.251 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.2 t -89.81 137.79 20.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 CA-C-N 118.055 0.927 . . . . 0.0 109.98 173.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 66.3 mt -124.0 129.94 74.04 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 C-N-CA 125.649 1.58 . . . . 0.0 108.809 172.401 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.8 m -121.77 128.17 51.44 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.649 1.18 . . . . 0.0 110.904 -177.156 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.8 mt -94.67 153.95 17.57 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.641 0.776 . . . . 0.0 112.422 178.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.6 pt -123.38 163.7 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 127.294 2.238 . . . . 0.0 109.929 176.153 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 -68.54 135.6 51.8 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.367 -0.833 . . . . 0.0 109.302 159.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 . . . . . 0 N--CA 1.478 0.943 0 O-C-N 121.397 -0.815 . . . . 0.0 112.792 -178.854 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 2.3 mpp? . . . . . 0 N--CA 1.477 0.911 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -160.24 171.03 19.92 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.864 1.665 . . . . 0.0 110.45 170.525 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 58.8 pttt -134.63 153.76 51.82 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.236 1.414 . . . . 0.0 111.941 168.038 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 75.5 t -99.15 146.48 8.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 125.393 1.477 . . . . 0.0 110.254 172.525 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 9.4 p -137.91 140.04 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 C-N-CA 125.36 1.464 . . . . 0.0 111.194 171.382 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -148.42 157.63 43.6 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.402 1.481 . . . . 0.0 112.442 -176.111 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 14.7 m -112.45 130.93 55.82 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.052 1.341 . . . . 0.0 110.505 173.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -80.87 163.66 23.23 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.235 1.414 . . . . 0.0 112.774 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.92 -20.56 65.31 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 123.597 0.759 . . . . 0.0 112.841 166.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -69.46 -11.62 60.97 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 125.069 1.348 . . . . 0.0 113.92 171.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.62 -9.9 57.62 Favored Glycine 0 CA--C 1.54 1.632 0 C-N-CA 125.507 1.527 . . . . 0.0 114.843 -171.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.02 171.12 55.12 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.991 1.282 . . . . 0.0 113.016 171.281 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -125.05 152.02 44.84 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.771 1.229 . . . . 0.0 112.917 -178.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 84.3 t -134.99 145.5 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 126.718 2.007 . . . . 0.0 109.801 -176.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -133.94 149.14 51.26 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.429 1.492 . . . . 0.0 111.95 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -131.37 113.98 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 125.543 1.537 . . . . 0.0 109.237 177.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.9 163.81 33.64 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.426 1.012 . . . . 0.0 114.635 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 53.25 44.98 29.45 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.929 1.692 . . . . 0.0 113.876 175.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 28.5 m -75.24 138.29 21.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 O-C-N 120.673 -1.267 . . . . 0.0 111.827 -178.158 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 97.0 mt -92.06 -29.88 16.32 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.138 1.375 . . . . 0.0 111.967 170.204 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 61.7 tt0 -156.14 146.45 21.57 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 124.049 0.94 . . . . 0.0 112.433 -177.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 19.5 t -142.09 135.94 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 125.979 1.712 . . . . 0.0 108.549 173.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -145.99 144.82 30.35 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.146 0.979 . . . . 0.0 112.914 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.657 0 C-N-CA 125.135 1.374 . . . . 0.0 108.776 168.381 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.725 0 CA-C-O 120.803 0.335 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 75.2 t -104.18 140.16 23.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 O-C-N 121.649 -0.657 . . . . 0.0 110.436 160.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -128.14 141.01 51.61 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.66 1.984 . . . . 0.0 109.801 177.163 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -150.67 146.12 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.825 0.85 . . . . 0.0 112.41 -168.629 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 30.8 m -126.87 138.92 53.39 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.476 1.91 . . . . 0.0 111.143 -175.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 26.4 p -104.98 167.25 9.83 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 -177.158 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 54.5 tp -51.15 -32.31 22.67 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 127.772 2.429 . . . . 0.0 113.396 171.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -87.31 8.49 24.06 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.969 1.708 . . . . 0.0 113.112 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 26.8 t0 61.33 24.62 14.7 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 127.022 2.129 . . . . 0.0 114.1 -176.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -85.62 150.97 24.26 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.008 0.923 . . . . 0.0 110.682 169.094 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -121.44 144.7 48.54 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.45 1.5 . . . . 0.0 111.862 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -134.54 152.73 51.98 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.76 1.624 . . . . 0.0 110.808 178.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.4 142.54 30.4 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.791 1.236 . . . . 0.0 112.077 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -139.96 90.89 10.54 Favored Pre-proline 0 CA--C 1.543 0.693 0 C-N-CA 125.228 1.411 . . . . 0.0 110.794 -171.062 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -60.94 144.85 99.66 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.523 2.815 . . . . 0.0 113.28 178.248 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.34 5.2 90.18 Favored Glycine 0 CA--C 1.533 1.192 0 CA-C-O 118.986 -0.897 . . . . 0.0 114.888 178.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 36.7 mt -104.89 163.42 12.53 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 119.152 1.476 . . . . 0.0 113.334 176.084 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.19 162.33 35.88 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 127.779 2.432 . . . . 0.0 109.535 164.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 53.6 mt -75.09 121.89 27.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 O-C-N 121.03 -1.043 . . . . 0.0 108.956 176.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -98.13 -38.04 4.18 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 124.45 1.024 . . . . 0.0 114.358 -175.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 75.2 ttt-85 -157.64 144.57 18.14 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.752 1.221 . . . . 0.0 111.576 -174.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 14.6 t -125.97 128.23 71.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 123.461 0.704 . . . . 0.0 109.706 166.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -115.3 95.36 5.14 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.383 1.873 . . . . 0.0 110.109 -177.432 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -75.79 -11.28 59.95 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.941 1.296 . . . . 0.0 112.916 -172.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 44.8 mtt85 -65.26 -33.36 75.81 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.775 1.23 . . . . 0.0 112.078 172.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 49.9 m -126.26 -4.88 6.7 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.698 1.599 . . . . 0.0 114.05 -175.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.44 41.21 67.46 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 124.935 1.255 . . . . 0.0 113.723 -178.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 55.2 t -111.2 126.74 68.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 CA-C-N 118.305 1.053 . . . . 0.0 111.809 -177.137 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 79.8 mt -107.68 111.54 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 C-N-CA 126.644 1.978 . . . . 0.0 108.59 175.504 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 36.0 m -100.42 125.49 46.71 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.182 0.993 . . . . 0.0 111.307 -178.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 18.1 mt -95.3 152.36 18.44 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.219 1.008 . . . . 0.0 111.475 176.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -133.55 159.7 42.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 126.987 2.115 . . . . 0.0 110.401 177.692 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -73.69 137.12 43.87 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 121.392 -0.818 . . . . 0.0 111.622 175.132 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? . . . . . 0 CA--C 1.548 0.895 0 C-N-CA 123.955 0.902 . . . . 0.0 112.868 178.145 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.794 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -136.5 130.55 32.68 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 126.196 1.798 . . . . 0.0 110.4 165.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 45.4 t -100.43 142.01 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 124.295 1.038 . . . . 0.0 110.663 -173.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.8 p -137.77 143.66 33.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 125.543 1.537 . . . . 0.0 111.583 173.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.617 0 C-N-CA 125.74 1.616 . . . . 0.0 112.177 177.534 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 42.1 t . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -136.87 145.52 44.48 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.821 1.248 . . . . 0.0 111.551 176.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.6 mt -136.37 124.4 35.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 124.732 1.213 . . . . 0.0 109.615 -177.17 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -95.2 162.02 23.58 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 124.627 1.108 . . . . 0.0 113.806 175.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 51.02 46.45 26.4 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.574 1.55 . . . . 0.0 112.99 -179.095 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 74.5 t -75.2 120.75 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 124.088 0.955 . . . . 0.0 109.785 177.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.9 tp -98.17 -23.36 15.73 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.355 1.462 . . . . 0.0 112.28 -175.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -160.95 150.53 17.11 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.862 0.865 . . . . 0.0 112.007 173.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 30.6 m -132.6 150.36 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 C-N-CA 124.743 1.217 . . . . 0.0 111.889 165.187 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -140.51 138.98 34.99 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.595 1.558 . . . . 0.0 111.627 176.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.713 0 C-N-CA 124.373 1.069 . . . . 0.0 110.758 166.223 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.624 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.6 t -105.12 144.01 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 123.905 0.882 . . . . 0.0 110.54 161.509 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -118.22 148.73 42.1 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 126.281 1.832 . . . . 0.0 111.097 170.098 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.9 t -132.55 140.9 46.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 126.439 1.896 . . . . 0.0 109.236 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.3 m -121.8 124.68 44.75 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.319 1.447 . . . . 0.0 109.798 171.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 48.8 p -87.75 168.39 13.0 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.0 0.92 . . . . 0.0 113.164 176.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.8 tp -48.47 -33.88 10.15 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.958 1.703 . . . . 0.0 113.734 167.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -83.96 6.87 20.23 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.745 1.618 . . . . 0.0 113.767 -174.152 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 61.18 11.24 3.39 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 127.076 2.151 . . . . 0.0 114.57 -170.186 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -77.13 131.97 38.59 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.072 -1.018 . . . . 0.0 110.577 170.012 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -98.8 149.5 22.82 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.137 0.975 . . . . 0.0 112.836 173.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -129.88 151.85 49.99 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.944 1.698 . . . . 0.0 110.226 170.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -140.67 143.22 34.99 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.037 0.935 . . . . 0.0 112.489 -177.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -138.61 91.58 12.08 Favored Pre-proline 0 CA--C 1.539 0.551 0 C-N-CA 125.293 1.437 . . . . 0.0 110.749 -173.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -67.68 147.5 75.99 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 123.006 2.471 . . . . 0.0 111.935 177.425 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.01 2.64 90.67 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 125.292 1.425 . . . . 0.0 114.601 -178.151 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 43.7 mt -108.82 165.16 11.77 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 118.808 1.304 . . . . 0.0 113.311 177.455 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.0 160.29 39.74 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 127.756 2.423 . . . . 0.0 109.889 163.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 34.2 mt -68.22 120.75 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 O-C-N 120.96 -1.087 . . . . 0.0 108.856 174.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -107.92 -39.65 1.82 Allowed Glycine 0 CA--C 1.531 1.04 0 C-N-CA 124.268 0.937 . . . . 0.0 115.073 -167.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 49.6 ttt180 -152.2 148.32 27.45 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 118.449 1.125 . . . . 0.0 111.586 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.7 t -133.29 129.41 56.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 125.269 1.428 . . . . 0.0 109.713 174.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -113.93 106.45 14.45 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.17 1.388 . . . . 0.0 110.903 172.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -79.19 -8.65 59.18 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.229 -0.92 . . . . 0.0 112.603 178.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.7 mtm180 -67.8 -23.16 65.17 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.298 1.839 . . . . 0.0 113.339 169.452 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 88.9 p -141.91 -10.05 0.9 Allowed 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 -171.488 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.27 6.32 88.85 Favored Glycine 0 CA--C 1.538 1.527 0 C-N-CA 125.493 1.521 . . . . 0.0 114.757 -177.502 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.9 t -74.02 133.08 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 CA-C-N 119.15 1.475 . . . . 0.0 111.686 -178.477 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 77.1 mt -116.02 125.71 73.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 126.855 2.062 . . . . 0.0 107.457 167.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 36.2 t -118.79 131.32 56.1 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.115 1.366 . . . . 0.0 110.776 -178.38 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.8 mt -101.59 148.11 25.62 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.448 1.099 . . . . 0.0 111.56 -178.097 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -128.58 157.74 41.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 125.965 1.706 . . . . 0.0 111.226 -178.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -71.49 125.48 27.15 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.573 -0.704 . . . . 0.0 112.065 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.759 0 C-N-CA 123.403 0.681 . . . . 0.0 112.629 173.195 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 74.5 mtm . . . . . 0 N--CA 1.469 0.49 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -82.66 173.66 11.72 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.25 1.02 . . . . 0.0 112.089 171.258 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -121.98 144.54 48.82 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.853 1.261 . . . . 0.0 110.922 164.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 73.2 t -99.84 144.05 12.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 125.117 1.367 . . . . 0.0 110.016 178.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 9.7 p -135.69 140.51 44.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 125.432 1.493 . . . . 0.0 111.496 173.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 pp -149.53 157.23 43.09 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.613 1.565 . . . . 0.0 112.709 -177.285 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 18.1 m -111.69 133.01 54.22 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.048 1.339 . . . . 0.0 111.16 177.488 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -83.37 161.7 21.28 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.454 1.502 . . . . 0.0 112.4 178.182 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.31 -21.66 65.43 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 169.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -70.33 -10.39 58.87 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.204 1.402 . . . . 0.0 113.917 172.373 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.14 -8.2 68.22 Favored Glycine 0 CA--C 1.539 1.587 0 C-N-CA 125.411 1.481 . . . . 0.0 114.44 -173.24 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.68 170.54 55.01 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 124.836 1.207 . . . . 0.0 112.927 170.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -126.84 153.56 45.5 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.633 1.173 . . . . 0.0 113.054 -179.478 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 68.9 t -132.88 144.17 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 126.376 1.871 . . . . 0.0 109.358 -176.614 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -131.76 149.11 52.57 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.098 1.359 . . . . 0.0 111.788 177.206 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -129.37 119.79 49.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 124.993 1.317 . . . . 0.0 109.142 173.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -94.74 170.82 29.76 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 124.847 1.213 . . . . 0.0 113.192 173.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 53.97 42.95 31.48 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.161 1.385 . . . . 0.0 113.46 178.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 70.1 t -80.81 121.61 34.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 125.436 1.495 . . . . 0.0 111.845 -176.061 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 89.9 mt -83.98 -32.5 24.95 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.807 1.243 . . . . 0.0 113.023 172.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -157.01 149.38 23.16 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.764 0.711 . . . . 0.0 112.294 -172.159 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 39.9 t -132.96 141.57 44.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 125.096 1.359 . . . . 0.0 109.716 170.101 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 41.3 mtt180 -134.22 136.13 43.46 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.801 1.64 . . . . 0.0 109.875 -179.113 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.428 0 C-N-CA 124.479 1.112 . . . . 0.0 111.288 179.806 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.42 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 70.0 t -83.05 137.69 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 123.462 0.705 . . . . 0.0 109.23 163.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -113.58 151.62 31.42 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.035 1.334 . . . . 0.0 111.064 173.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 41.2 t -136.51 141.33 41.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 125.318 1.447 . . . . 0.0 109.872 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 39.2 m -117.74 139.08 51.54 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.709 1.204 . . . . 0.0 110.634 177.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 25.4 p -128.84 155.06 45.81 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.182 1.393 . . . . 0.0 112.408 -178.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.41 -4.44 3.91 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 116.538 2.051 . . . . 0.0 116.538 -171.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -75.01 4.86 5.9 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.569 1.148 . . . . 0.0 113.289 167.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 59.43 25.47 14.22 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 126.628 1.971 . . . . 0.0 113.245 -164.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -90.74 154.79 19.28 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 124.509 1.124 . . . . 0.0 111.891 174.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -132.62 134.52 44.99 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 124.929 1.292 . . . . 0.0 110.903 174.043 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -114.07 154.05 28.39 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 126.638 1.975 . . . . 0.0 109.702 -176.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.96 137.91 26.47 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.538 0.735 . . . . 0.0 112.348 179.579 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -137.05 97.23 11.01 Favored Pre-proline 0 CA--C 1.546 0.801 0 C-N-CA 125.37 1.468 . . . . 0.0 111.034 -170.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_exo -61.58 148.89 91.94 Favored 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 123.966 3.11 . . . . 0.0 114.815 -178.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.88 19.69 78.36 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 124.337 0.97 . . . . 0.0 115.345 172.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 69.0 mt -112.45 166.73 11.04 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.347 1.459 . . . . 0.0 113.015 177.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -146.77 160.46 42.23 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 127.262 2.225 . . . . 0.0 109.938 164.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 50.6 mt -71.83 120.42 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 O-C-N 121.183 -0.948 . . . . 0.0 109.126 175.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.32 -41.75 6.44 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 124.726 1.155 . . . . 0.0 113.663 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 39.2 ptt85 -161.15 155.98 23.7 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.448 1.499 . . . . 0.0 112.708 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 24.9 t -132.91 114.79 22.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 C-N-CA 124.854 1.261 . . . . 0.0 108.763 171.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -111.17 89.0 2.92 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.479 1.112 . . . . 0.0 110.327 -167.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -67.76 -14.57 63.06 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 121.087 -1.008 . . . . 0.0 112.65 -176.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 53.9 mtm180 -60.48 -22.44 63.51 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.811 1.645 . . . . 0.0 113.743 166.365 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 21.3 t -132.86 -20.85 2.2 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.364 1.466 . . . . 0.0 113.905 -174.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.82 25.98 51.27 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 124.82 1.2 . . . . 0.0 113.714 -176.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 94.0 t -106.17 128.98 60.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.984 1.314 . . . . 0.0 111.843 -176.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 97.1 mt -102.19 117.82 48.12 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 C-N-CA 126.367 1.867 . . . . 0.0 107.95 165.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 32.7 t -106.38 126.32 52.1 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.423 0.689 . . . . 0.0 110.777 -178.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 32.9 mt -99.77 145.52 27.6 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.396 1.078 . . . . 0.0 111.891 175.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -133.76 156.68 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 126.295 1.838 . . . . 0.0 110.732 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 19.6 mp0 -70.86 129.8 40.01 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 121.363 -0.835 . . . . 0.0 112.283 -179.317 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? . . . . . 0 N--CA 1.477 0.925 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 179.989 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.736 0 CA-C-O 121.372 0.606 . . . . 0.0 112.292 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -124.79 149.42 47.41 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.662 1.185 . . . . 0.0 111.466 161.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 53.8 t -100.15 144.34 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 125.333 1.453 . . . . 0.0 110.24 174.277 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.5 p -135.74 140.71 43.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 125.622 1.569 . . . . 0.0 111.764 173.351 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.543 0.676 0 C-N-CA 125.753 1.621 . . . . 0.0 111.879 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 87.6 t . . . . . 0 N--CA 1.47 0.541 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -129.88 145.33 51.6 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.021 1.328 . . . . 0.0 111.25 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -126.32 109.94 22.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 125.321 1.448 . . . . 0.0 107.965 175.253 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.27 163.3 41.04 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 124.251 0.929 . . . . 0.0 113.787 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 52.98 48.18 22.99 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.954 1.702 . . . . 0.0 113.932 172.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.3 t -79.77 126.31 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 126.415 1.886 . . . . 0.0 112.241 -178.113 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 86.2 mt -80.73 -36.65 31.8 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.716 1.206 . . . . 0.0 112.3 172.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -158.6 150.03 20.86 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -175.243 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.5 t -134.11 142.17 41.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 126.24 1.816 . . . . 0.0 109.827 172.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -138.38 147.28 43.24 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.569 1.548 . . . . 0.0 111.493 174.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.433 0 C-N-CA 125.392 1.477 . . . . 0.0 109.998 176.626 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.523 0 CA-C-O 120.802 0.334 . . . . 0.0 111.466 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 72.3 t -112.32 142.67 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 123.71 0.804 . . . . 0.0 110.904 171.014 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -125.58 144.3 50.63 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.351 1.86 . . . . 0.0 109.793 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.7 t -137.3 145.34 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 125.534 1.534 . . . . 0.0 111.058 -173.15 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 86.6 m -124.53 128.77 49.44 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.781 1.233 . . . . 0.0 111.307 171.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 37.8 p -94.43 170.69 9.31 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.921 1.288 . . . . 0.0 112.826 177.376 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -58.31 -17.98 23.72 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 175.527 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -80.06 -0.96 37.82 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.684 1.194 . . . . 0.0 113.329 175.006 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 61.93 11.7 4.36 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.472 1.909 . . . . 0.0 113.888 -162.426 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -75.01 130.23 38.99 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.373 1.069 . . . . 0.0 111.277 174.154 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -96.87 148.43 22.94 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.425 1.09 . . . . 0.0 112.542 178.306 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -131.79 154.95 48.58 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.945 1.698 . . . . 0.0 110.453 171.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.81 146.22 35.63 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.05 0.94 . . . . 0.0 112.341 176.404 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -138.88 87.98 14.0 Favored Pre-proline 0 CA--C 1.545 0.755 0 C-N-CA 125.982 1.713 . . . . 0.0 110.323 -170.358 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -69.4 147.37 65.06 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 123.152 2.568 . . . . 0.0 112.369 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.87 3.39 90.51 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 125.515 1.531 . . . . 0.0 114.853 -177.157 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 35.3 mt -108.04 162.77 13.73 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 118.902 1.351 . . . . 0.0 113.413 178.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.44 161.05 38.86 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 127.875 2.47 . . . . 0.0 109.929 166.19 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 39.2 mt -72.28 122.25 24.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 O-C-N 120.976 -1.077 . . . . 0.0 109.425 175.572 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.1 -47.7 3.52 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 124.562 1.077 . . . . 0.0 113.302 -178.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.0 ptt85 -155.92 163.3 39.93 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.558 1.143 . . . . 0.0 112.531 173.284 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.2 t -126.66 128.38 71.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 123.965 0.906 . . . . 0.0 109.211 166.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -114.22 88.44 2.86 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.655 1.582 . . . . 0.0 110.445 -176.331 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -69.5 -10.71 59.25 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.394 1.478 . . . . 0.0 112.558 -173.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 62.2 mtt85 -61.02 -27.47 68.35 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.592 1.157 . . . . 0.0 112.222 169.387 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.7 m -135.16 0.66 2.87 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.585 1.554 . . . . 0.0 113.646 -176.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.96 32.65 73.59 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 124.717 1.151 . . . . 0.0 114.37 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.8 t -102.46 122.9 55.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 118.334 1.067 . . . . 0.0 111.788 -175.213 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.5 mt -97.67 112.54 29.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 125.751 1.62 . . . . 0.0 108.6 169.37 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.7 t -100.74 124.53 46.5 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 124.339 1.056 . . . . 0.0 111.859 -177.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.8 mt -98.72 149.8 22.46 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.81 1.244 . . . . 0.0 111.997 178.08 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -134.87 161.0 40.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 126.943 2.097 . . . . 0.0 110.528 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -70.83 133.01 46.14 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.205 -0.934 . . . . 0.0 112.101 176.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? . . . . . 0 N--CA 1.476 0.863 0 C-N-CA 123.831 0.852 . . . . 0.0 113.179 -178.926 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 5.5 mpp? . . . . . 0 N--CA 1.468 0.454 0 CA-C-O 121.363 0.601 . . . . 0.0 112.057 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.44 -177.21 6.08 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.839 1.255 . . . . 0.0 111.982 171.409 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -128.6 144.29 51.12 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.541 1.536 . . . . 0.0 111.105 164.048 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 25.5 t -100.35 142.45 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.736 1.214 . . . . 0.0 110.363 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 10.5 p -133.79 143.53 38.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 C-N-CA 125.903 1.681 . . . . 0.0 110.797 170.051 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp -138.02 151.19 47.64 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.621 1.568 . . . . 0.0 110.942 176.466 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 15.5 m -111.16 128.65 55.97 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.073 0.949 . . . . 0.0 110.795 176.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 36.5 mtmt -79.84 164.83 23.3 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 126.292 1.837 . . . . 0.0 112.726 179.093 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.12 -25.73 68.22 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.431 1.093 . . . . 0.0 113.815 174.113 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 44.3 p30 -79.94 -0.47 35.25 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.72 1.208 . . . . 0.0 113.78 175.5 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.13 -5.46 84.12 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 126.005 1.764 . . . . 0.0 115.642 -179.489 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.54 170.78 55.11 Favored Glycine 0 CA--C 1.538 1.505 0 CA-C-N 118.976 1.388 . . . . 0.0 113.308 171.488 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -128.59 154.26 46.38 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.913 1.285 . . . . 0.0 113.11 -179.237 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 46.1 t -133.92 143.49 38.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 126.276 1.831 . . . . 0.0 109.466 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 17.5 mp0 -130.27 150.86 51.32 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.018 0.927 . . . . 0.0 112.838 -175.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -133.01 107.31 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 125.56 1.544 . . . . 0.0 108.612 173.067 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.74 156.87 39.06 Favored Glycine 0 CA--C 1.531 1.036 0 C-N-CA 124.113 0.863 . . . . 0.0 114.03 -179.433 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 52.9 46.19 27.26 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 126.226 1.811 . . . . 0.0 113.586 174.213 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 11.1 p -67.93 130.39 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 124.145 0.978 . . . . 0.0 111.325 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 86.6 mt -86.88 -33.3 19.81 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.395 1.478 . . . . 0.0 111.866 172.403 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 70.8 tt0 -155.37 143.16 19.82 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.198 0.999 . . . . 0.0 112.157 178.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 7.6 p -130.83 138.43 53.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.655 1.582 . . . . 0.0 109.412 171.231 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 42.9 mtt85 -135.8 128.76 31.35 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.98 1.312 . . . . 0.0 110.578 -170.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.55 0 C-N-CA 125.083 1.353 . . . . 0.0 109.328 172.548 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.502 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 81.3 t -114.46 137.47 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 123.43 0.692 . . . . 0.0 111.555 164.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -114.61 151.88 32.77 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.564 1.546 . . . . 0.0 111.243 169.099 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 28.4 m -136.3 149.42 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 125.598 1.559 . . . . 0.0 111.102 176.693 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 28.0 m -132.38 135.29 46.04 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 126.033 1.733 . . . . 0.0 110.812 -178.36 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 23.1 p -120.08 166.38 13.47 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.989 0.916 . . . . 0.0 113.303 -177.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -65.2 -9.01 19.93 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 174.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -84.48 11.2 9.06 Favored 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 124.942 1.297 . . . . 0.0 113.159 172.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 61.07 11.4 3.39 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 127.165 2.186 . . . . 0.0 114.812 -170.412 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -85.83 148.98 25.56 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.088 1.355 . . . . 0.0 112.03 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -128.53 151.51 49.36 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.266 1.026 . . . . 0.0 112.376 166.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -131.03 157.49 42.88 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.222 1.409 . . . . 0.0 110.633 172.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -136.49 141.69 43.5 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.717 1.207 . . . . 0.0 111.938 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -139.27 90.01 11.96 Favored Pre-proline 0 CA--C 1.544 0.736 0 C-N-CA 125.675 1.59 . . . . 0.0 110.654 -172.485 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -66.19 146.83 82.66 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 122.945 2.43 . . . . 0.0 112.221 177.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.29 2.33 90.57 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 125.182 1.372 . . . . 0.0 115.428 -177.574 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 28.8 mt -99.26 163.65 12.46 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.128 1.464 . . . . 0.0 113.635 175.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -144.8 160.08 41.83 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 127.408 2.283 . . . . 0.0 110.587 164.267 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 29.1 mt -73.42 122.1 25.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 O-C-N 121.239 -0.913 . . . . 0.0 109.249 174.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.3 -36.05 3.97 Favored Glycine 0 CA--C 1.532 1.104 0 C-N-CA 124.4 1.0 . . . . 0.0 114.368 -177.434 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -153.7 145.05 23.06 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.669 1.588 . . . . 0.0 110.847 -173.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 39.9 t -136.96 105.68 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 125.987 1.715 . . . . 0.0 107.927 174.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -113.37 101.02 8.99 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.322 1.049 . . . . 0.0 110.421 -173.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -75.07 -16.48 60.57 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.196 1.398 . . . . 0.0 112.781 -173.261 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 25.3 mtt85 -64.81 -40.51 95.34 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 118.931 0.787 . . . . 0.0 111.319 172.146 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 55.2 m -93.34 -20.15 20.65 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.263 1.425 . . . . 0.0 113.614 175.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.86 31.59 62.06 Favored Glycine 0 CA--C 1.533 1.21 0 C-N-CA 124.391 0.996 . . . . 0.0 113.255 -171.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 94.6 t -114.65 130.99 68.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.561 1.144 . . . . 0.0 112.194 -171.212 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 14.3 mt -103.93 120.49 54.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 126.414 1.885 . . . . 0.0 108.482 169.023 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 15.8 m -104.44 121.1 42.72 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.256 1.022 . . . . 0.0 111.149 175.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 25.8 mt -91.05 149.37 21.85 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.29 1.036 . . . . 0.0 111.053 171.255 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -133.81 157.86 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 126.1 1.76 . . . . 0.0 110.621 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -70.32 130.56 42.3 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.729 -0.607 . . . . 0.0 110.653 173.225 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? . . . . . 0 N--CA 1.473 0.713 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -166.127 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.494 0 CA-C-O 121.096 0.474 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -140.41 129.26 23.22 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.739 1.616 . . . . 0.0 111.412 177.551 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 20.2 t -99.71 144.54 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 125.338 1.455 . . . . 0.0 110.664 -178.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.8 p -137.2 139.69 43.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 125.263 1.425 . . . . 0.0 111.14 174.231 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 pp . . . . . 0 CA--C 1.539 0.546 0 C-N-CA 125.625 1.57 . . . . 0.0 112.125 -177.316 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.7 t . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 120.767 0.317 . . . . 0.0 110.626 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.3 mp0 -128.98 147.34 50.85 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.313 1.445 . . . . 0.0 111.115 174.481 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 54.0 mt -133.04 118.57 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 125.407 1.483 . . . . 0.0 108.725 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.87 168.12 31.27 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 124.554 1.073 . . . . 0.0 114.228 175.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 54.6 41.62 31.82 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.764 1.626 . . . . 0.0 114.112 174.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 74.8 t -72.83 130.78 35.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 125.511 1.524 . . . . 0.0 112.172 -176.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 97.5 mt -98.21 -35.51 10.34 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.214 1.406 . . . . 0.0 113.276 174.4 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.2 tt0 -156.92 143.81 18.55 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.125 0.97 . . . . 0.0 111.661 -171.256 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.3 t -137.45 137.81 45.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 126.17 1.788 . . . . 0.0 109.276 174.619 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -133.84 146.15 50.36 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.797 1.639 . . . . 0.0 111.712 -179.248 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.438 0 C-N-CA 125.33 1.452 . . . . 0.0 110.321 173.595 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.625 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.7 t -121.05 140.01 46.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 C-N-CA 124.812 1.245 . . . . 0.0 111.558 175.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -120.76 147.48 45.26 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.977 2.111 . . . . 0.0 109.339 174.766 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -149.9 143.49 17.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 123.674 0.79 . . . . 0.0 112.598 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 61.3 m -127.46 145.48 50.82 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 126.326 1.85 . . . . 0.0 111.697 -175.166 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 43.6 p -125.49 166.35 16.8 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.887 1.275 . . . . 0.0 113.707 -169.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.5 tt -52.53 -30.28 29.62 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.663 1.985 . . . . 0.0 113.955 173.22 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -74.51 2.2 10.17 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.251 1.42 . . . . 0.0 113.803 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.1 t0 60.79 18.71 8.9 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.4 1.88 . . . . 0.0 113.095 -167.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -88.67 144.16 26.46 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.901 1.281 . . . . 0.0 110.896 174.014 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -136.25 137.36 40.69 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.103 1.361 . . . . 0.0 111.509 -175.675 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 61.0 m-70 -129.17 152.11 49.11 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.945 1.698 . . . . 0.0 111.332 -169.228 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -137.34 141.1 41.82 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.74 1.216 . . . . 0.0 111.951 176.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -140.14 91.99 9.79 Favored Pre-proline 0 CA--C 1.543 0.676 0 C-N-CA 125.496 1.518 . . . . 0.0 110.32 -173.451 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -68.99 148.94 71.16 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 123.04 2.493 . . . . 0.0 111.901 175.131 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.06 -2.95 85.79 Favored Glycine 0 CA--C 1.535 1.331 0 C-N-CA 125.43 1.49 . . . . 0.0 114.894 -175.668 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 40.3 mt -104.67 162.32 13.39 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 118.843 1.321 . . . . 0.0 113.7 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.03 158.07 45.07 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 127.488 2.315 . . . . 0.0 109.915 164.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 48.7 mt -71.95 114.97 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 174.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.54 -50.87 2.64 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 124.333 0.968 . . . . 0.0 113.827 -172.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 65.6 ttt180 -151.3 145.91 25.66 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.801 1.24 . . . . 0.0 112.004 -173.504 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.8 t -138.47 115.84 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 125.722 1.609 . . . . 0.0 109.33 -178.308 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -106.43 101.51 10.97 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.31 1.044 . . . . 0.0 110.483 178.536 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -67.56 -16.4 64.17 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.022 -1.049 . . . . 0.0 112.305 176.445 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 44.8 mtm105 -63.82 -20.01 65.46 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.731 2.012 . . . . 0.0 114.061 170.51 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.0 t -141.97 -13.13 0.84 Allowed 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 114.7 1.371 . . . . 0.0 114.7 -175.225 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.67 15.7 81.36 Favored Glycine 0 CA--C 1.536 1.344 0 O-C-N 120.643 -1.285 . . . . 0.0 113.58 -174.234 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.1 t -82.5 132.49 31.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 CA-C-N 118.653 1.226 . . . . 0.0 111.083 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 94.7 mt -120.52 109.17 24.78 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 C-N-CA 125.93 1.692 . . . . 0.0 108.444 174.59 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.1 m -96.28 120.75 37.14 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 124.589 1.155 . . . . 0.0 110.674 178.164 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.3 mt -91.11 151.08 21.14 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.575 0.75 . . . . 0.0 111.087 170.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -133.16 153.83 38.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 125.22 1.408 . . . . 0.0 111.156 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.1 mp0 -65.27 125.11 24.02 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.92 0.888 . . . . 0.0 109.77 173.266 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? . . . . . 0 N--CA 1.473 0.68 0 N-CA-C 114.452 1.279 . . . . 0.0 114.452 -158.621 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 44.8 mtm . . . . . 0 N--CA 1.478 0.95 0 N-CA-C 115.699 1.74 . . . . 0.0 115.699 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -97.02 179.73 4.83 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.75 1.62 . . . . 0.0 112.028 175.375 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -118.0 150.92 38.47 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.822 1.249 . . . . 0.0 112.031 161.013 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 74.4 t -100.6 144.88 12.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 124.902 1.281 . . . . 0.0 110.082 171.08 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 14.4 p -132.36 143.23 40.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 125.307 1.443 . . . . 0.0 111.634 168.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 pp -148.79 160.93 42.74 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.45 1.5 . . . . 0.0 112.588 -179.386 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 19.5 m -117.51 130.24 56.31 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.212 1.405 . . . . 0.0 110.521 175.437 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -78.41 164.14 25.04 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 126.076 1.75 . . . . 0.0 112.331 178.329 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.18 -25.06 67.56 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 175.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -79.03 -2.22 39.27 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.843 1.257 . . . . 0.0 113.729 173.283 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.32 -4.52 85.48 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 125.587 1.565 . . . . 0.0 115.6 -179.491 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.65 153.7 44.49 Favored Glycine 0 CA--C 1.535 1.296 0 CA-C-N 118.938 1.369 . . . . 0.0 112.151 172.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 92.3 mtm-85 -111.36 152.46 27.26 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.55 1.14 . . . . 0.0 113.037 -179.054 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 85.7 t -135.72 141.0 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 126.065 1.746 . . . . 0.0 109.867 -177.094 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -125.07 145.97 49.67 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.364 1.466 . . . . 0.0 111.709 176.09 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 50.5 mt -130.32 110.69 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 125.209 1.404 . . . . 0.0 108.444 177.485 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.16 154.89 33.92 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 123.978 0.799 . . . . 0.0 114.059 -179.261 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 52.28 54.46 10.69 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.7 2.0 . . . . 0.0 113.671 171.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 28.4 m -79.14 135.84 24.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 C-N-CA 124.257 1.023 . . . . 0.0 112.199 178.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 91.3 mt -82.02 -35.0 29.31 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.998 1.319 . . . . 0.0 112.082 170.066 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -158.97 142.11 14.62 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 118.465 0.575 . . . . 0.0 112.264 -169.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 3.5 t -140.38 135.43 35.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 125.209 1.403 . . . . 0.0 109.011 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.44 142.56 16.96 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 -178.23 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.663 0 C-N-CA 125.735 1.614 . . . . 0.0 110.07 173.708 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.732 0 CA-C-O 120.456 0.17 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 68.1 t -109.12 139.61 31.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 C-N-CA 123.542 0.737 . . . . 0.0 111.412 166.778 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 65.1 mtp180 -113.16 148.67 34.92 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.852 1.661 . . . . 0.0 111.454 168.178 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 3.0 t -135.69 140.36 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 126.36 1.864 . . . . 0.0 109.66 -177.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 39.6 m -122.49 132.97 54.59 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.918 1.287 . . . . 0.0 110.231 174.437 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 33.5 p -103.34 165.44 11.03 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.248 1.419 . . . . 0.0 112.58 178.282 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -58.93 -18.02 29.74 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 176.115 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -79.31 -1.53 37.22 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.188 1.395 . . . . 0.0 113.423 174.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 26.0 t0 60.9 17.21 7.6 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.953 1.701 . . . . 0.0 113.915 -165.184 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -80.58 136.33 36.23 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.716 1.206 . . . . 0.0 110.257 166.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -112.34 154.01 26.36 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.865 0.866 . . . . 0.0 113.102 174.338 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -130.77 150.92 51.72 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.243 1.817 . . . . 0.0 110.075 176.288 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.24 139.79 28.87 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.542 0.737 . . . . 0.0 112.435 -175.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -141.11 96.51 7.2 Favored Pre-proline 0 CA--C 1.543 0.702 0 C-N-CA 124.859 1.263 . . . . 0.0 111.981 -168.53 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -60.56 144.2 99.51 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 123.749 2.966 . . . . 0.0 113.51 174.559 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.34 1.75 90.48 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 125.076 1.322 . . . . 0.0 115.151 177.496 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 44.2 mt -100.01 161.47 13.59 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 118.789 1.294 . . . . 0.0 113.591 176.365 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -144.15 160.19 41.36 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 127.857 2.463 . . . . 0.0 109.578 164.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 49.4 mt -70.92 123.67 25.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 O-C-N 120.852 -1.155 . . . . 0.0 109.534 176.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.6 -34.56 4.95 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 125.032 1.301 . . . . 0.0 114.194 -178.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 74.3 ttt-85 -152.81 148.07 26.77 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 118.52 1.16 . . . . 0.0 112.551 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 45.4 t -133.71 128.84 54.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 126.746 2.018 . . . . 0.0 108.56 172.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -135.78 105.24 6.05 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 125.045 1.338 . . . . 0.0 111.25 -172.015 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -81.5 -16.03 53.1 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.455 1.102 . . . . 0.0 113.533 -178.081 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -73.87 -24.66 59.77 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.347 1.059 . . . . 0.0 112.384 177.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 49.5 m -121.61 -10.52 8.79 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.445 1.498 . . . . 0.0 114.798 176.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.32 43.09 32.76 Favored Glycine 0 CA--C 1.536 1.376 0 C-N-CA 124.448 1.023 . . . . 0.0 113.342 -179.334 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 86.5 t -125.56 137.28 58.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.866 1.266 . . . . 0.0 111.314 -171.313 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 81.5 mt -119.34 136.87 55.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 126.714 2.006 . . . . 0.0 108.436 169.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 29.9 t -128.37 133.73 48.69 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.186 0.994 . . . . 0.0 111.574 -177.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 24.6 mt -102.1 150.99 22.69 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.761 1.224 . . . . 0.0 112.257 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -132.43 158.13 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 126.519 1.927 . . . . 0.0 110.242 178.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -72.32 130.8 41.62 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.504 -0.747 . . . . 0.0 110.914 175.119 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? . . . . . 0 N--CA 1.477 0.885 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 -170.216 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.937 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -134.4 143.22 47.48 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.671 1.588 . . . . 0.0 111.872 167.268 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.8 t -99.66 142.6 14.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 125.89 1.676 . . . . 0.0 110.134 173.323 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.5 p -139.01 140.28 38.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.939 1.295 . . . . 0.0 111.578 173.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 pp . . . . . 0 N--CA 1.47 0.568 0 C-N-CA 125.186 1.395 . . . . 0.0 112.481 -178.901 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 56.0 t . . . . . 0 N--CA 1.48 1.055 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -128.61 137.54 51.74 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.469 1.508 . . . . 0.0 111.514 178.693 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 51.4 mt -132.57 102.56 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 125.946 1.699 . . . . 0.0 108.287 -178.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.91 177.15 54.44 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 123.786 0.707 . . . . 0.0 112.384 168.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 59.07 29.0 18.45 Favored 'General case' 0 CA--C 1.553 1.069 0 N-CA-C 114.325 1.232 . . . . 0.0 114.325 172.265 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.3 p -79.37 133.88 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 125.686 1.595 . . . . 0.0 112.782 -177.435 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 79.6 mt -97.96 -32.37 11.7 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.429 1.492 . . . . 0.0 113.065 173.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -155.83 146.77 22.27 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 119.161 0.892 . . . . 0.0 112.654 -175.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.5 t -136.98 139.64 44.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 126.101 1.76 . . . . 0.0 109.659 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -140.16 135.47 32.49 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.328 1.051 . . . . 0.0 112.6 179.147 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.659 0 C-N-CA 124.937 1.295 . . . . 0.0 109.142 162.847 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.606 0 N-CA-C 111.465 0.172 . . . . 0.0 111.465 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.4 t -98.81 139.06 21.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 O-C-N 122.141 -0.35 . . . . 0.0 110.66 164.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 67.5 mtt85 -123.25 150.78 43.04 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.91 1.684 . . . . 0.0 111.242 176.215 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.9 t -138.51 135.35 43.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 125.149 1.379 . . . . 0.0 110.012 -172.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 91.4 m -123.53 125.75 45.45 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.552 1.141 . . . . 0.0 111.162 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 43.0 p -98.53 165.79 11.66 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.483 1.113 . . . . 0.0 113.051 -178.283 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 pp -65.82 -14.22 61.0 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 114.274 1.212 . . . . 0.0 114.274 173.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -78.73 0.73 25.61 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.381 1.072 . . . . 0.0 113.021 173.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 62.07 11.18 4.13 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 127.057 2.143 . . . . 0.0 114.132 -167.499 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -79.87 141.48 36.1 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.518 1.127 . . . . 0.0 110.918 170.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -122.46 148.94 44.54 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.432 1.493 . . . . 0.0 112.246 -177.386 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 67.9 m-70 -130.11 152.73 49.24 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 126.049 1.739 . . . . 0.0 110.958 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -148.62 138.47 22.2 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.27 1.028 . . . . 0.0 112.292 -176.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -143.26 97.23 5.68 Favored Pre-proline 0 CA--C 1.546 0.82 0 C-N-CA 125.22 1.408 . . . . 0.0 111.443 -170.303 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -61.43 148.32 93.27 Favored 'Trans proline' 0 CA--C 1.534 0.518 0 C-N-CA 123.773 2.982 . . . . 0.0 114.201 175.383 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.66 3.7 90.25 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 124.968 1.27 . . . . 0.0 115.121 176.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 48.6 mt -100.97 162.97 12.52 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 118.716 1.258 . . . . 0.0 113.186 177.136 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.75 159.64 41.62 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 127.798 2.439 . . . . 0.0 109.835 162.056 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 82.6 mt -73.08 125.07 31.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 O-C-N 120.914 -1.116 . . . . 0.0 109.146 176.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.59 -36.72 4.21 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 125.176 1.369 . . . . 0.0 114.869 -173.647 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 29.9 mtm180 -147.78 158.41 44.01 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 118.758 1.279 . . . . 0.0 113.098 177.199 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.5 t -131.58 120.57 45.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 125.377 1.471 . . . . 0.0 108.162 159.624 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -123.09 84.91 2.34 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 122.471 1.129 . . . . 0.0 111.052 -165.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.407 ' H ' HD22 ' A' ' 53' ' ' LEU . 2.0 mm? -70.54 -13.62 62.18 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.744 1.617 . . . . 0.0 112.848 -171.397 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.6 mtp-105 -62.24 -25.17 67.67 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.109 1.764 . . . . 0.0 112.825 170.087 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 89.4 p -138.14 -8.85 1.54 Allowed 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -176.202 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.81 32.31 53.96 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 124.2 0.905 . . . . 0.0 113.543 -177.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.7 t -107.44 139.27 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.672 1.189 . . . . 0.0 111.337 -178.44 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 94.1 mt -118.65 113.62 42.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 126.354 1.861 . . . . 0.0 107.834 174.214 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.4 m -96.74 135.82 38.15 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.505 0.722 . . . . 0.0 110.56 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.2 mp -108.47 149.49 28.73 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.86 1.664 . . . . 0.0 110.545 174.528 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -136.54 161.81 36.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 126.743 2.017 . . . . 0.0 111.175 -176.212 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -70.26 132.99 46.57 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.23 -0.918 . . . . 0.0 111.274 174.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.542 0.641 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 -174.129 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 4.3 mpp? . . . . . 0 N--CA 1.473 0.71 0 CA-C-O 121.671 0.748 . . . . 0.0 112.388 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.83 175.21 5.21 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.258 1.423 . . . . 0.0 114.244 -175.536 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -130.48 127.37 39.06 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.497 1.919 . . . . 0.0 111.314 175.647 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 27.3 t -99.39 145.62 10.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 125.508 1.523 . . . . 0.0 110.373 -176.319 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.8 p -140.21 143.51 29.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.232 1.013 . . . . 0.0 112.208 175.069 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 pp -150.91 157.53 43.02 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.761 1.625 . . . . 0.0 112.668 -178.493 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 18.2 m -112.4 132.66 54.91 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.658 1.183 . . . . 0.0 110.873 177.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 35.3 mtmt -80.07 163.03 24.48 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 126.389 1.876 . . . . 0.0 112.748 177.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.5 -25.45 68.0 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 174.338 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 41.3 p30 -80.03 -1.34 39.36 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.389 1.076 . . . . 0.0 113.824 175.14 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.21 -7.42 82.11 Favored Glycine 0 CA--C 1.541 1.7 0 C-N-CA 125.927 1.727 . . . . 0.0 115.572 179.213 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.65 171.67 54.21 Favored Glycine 0 CA--C 1.534 1.248 0 CA-C-N 118.677 1.239 . . . . 0.0 113.076 171.092 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -128.94 153.98 47.0 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.814 1.245 . . . . 0.0 113.015 -178.136 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 97.5 t -131.6 141.57 45.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 126.384 1.874 . . . . 0.0 109.41 -178.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -131.05 142.66 50.32 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.305 1.442 . . . . 0.0 111.537 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 25.6 mt -134.9 106.58 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.856 1.262 . . . . 0.0 109.558 -178.348 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.17 175.81 51.49 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 123.688 0.661 . . . . 0.0 113.483 173.189 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 58.28 32.67 22.34 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.229 1.412 . . . . 0.0 114.708 168.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 35.4 m -76.98 135.81 25.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 O-C-N 121.004 -1.06 . . . . 0.0 113.268 -176.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 74.6 mt -82.16 -37.22 26.49 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.231 1.013 . . . . 0.0 111.805 169.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -159.48 148.51 18.07 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.575 0.75 . . . . 0.0 111.752 -176.63 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 40.0 t -130.48 138.1 54.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 127.293 2.237 . . . . 0.0 108.698 172.008 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -136.81 133.23 35.7 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.547 1.539 . . . . 0.0 111.491 -178.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.715 0 C-N-CA 124.018 0.927 . . . . 0.0 110.801 162.814 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.664 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 75.6 t -117.92 144.84 24.86 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 124.861 1.264 . . . . 0.0 110.948 164.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -130.21 147.63 51.96 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 127.35 2.26 . . . . 0.0 110.444 178.436 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -154.05 145.79 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 123.733 0.813 . . . . 0.0 112.274 -173.505 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 33.3 m -132.15 134.88 45.93 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.754 1.222 . . . . 0.0 112.51 -175.378 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 29.8 p -91.5 164.19 13.89 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 125.279 1.432 . . . . 0.0 113.851 179.002 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -67.27 -15.51 63.73 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 173.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -94.85 20.74 8.39 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.362 1.465 . . . . 0.0 112.522 170.071 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 62.38 18.62 10.45 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 127.877 2.471 . . . . 0.0 115.472 173.413 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -81.76 126.49 31.88 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.024 -1.048 . . . . 0.0 110.683 173.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -98.84 142.28 30.57 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.734 1.214 . . . . 0.0 111.398 176.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -134.87 151.38 50.85 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.033 1.333 . . . . 0.0 110.9 177.104 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -147.43 141.72 26.26 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.389 1.075 . . . . 0.0 112.336 -178.412 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -142.23 95.9 6.6 Favored Pre-proline 0 CA--C 1.548 0.872 0 C-N-CA 125.302 1.441 . . . . 0.0 111.137 -170.249 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -64.29 149.04 90.95 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 123.271 2.648 . . . . 0.0 113.069 174.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.6 0.36 89.89 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 125.915 1.721 . . . . 0.0 115.023 178.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 37.0 mt -101.49 164.49 11.74 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.188 1.395 . . . . 0.0 114.112 179.244 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.76 160.56 40.52 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 128.625 2.77 . . . . 0.0 110.135 164.255 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 46.1 mt -73.62 120.19 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 O-C-N 121.043 -1.036 . . . . 0.0 109.355 175.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.73 -43.61 2.86 Favored Glycine 0 N--CA 1.475 1.253 0 C-N-CA 124.759 1.171 . . . . 0.0 114.464 -173.05 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 74.9 ttt-85 -149.42 143.15 25.53 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.704 1.202 . . . . 0.0 111.178 -177.534 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 41.2 t -131.59 126.15 57.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.368 1.467 . . . . 0.0 108.912 177.576 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -125.94 106.22 9.48 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.54 1.536 . . . . 0.0 110.29 -167.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -81.74 -11.19 59.13 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.999 0.92 . . . . 0.0 112.743 -178.077 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 44.1 mtm105 -80.65 -43.43 20.45 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.041 1.336 . . . . 0.0 111.008 176.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 10.8 t -99.72 -18.96 17.0 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.276 1.43 . . . . 0.0 114.136 179.164 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.08 17.1 72.95 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 124.833 1.206 . . . . 0.0 114.268 -175.455 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 74.7 t -87.6 140.42 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 125.066 1.346 . . . . 0.0 112.396 -175.246 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 88.2 mt -120.65 105.84 17.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 126.626 1.97 . . . . 0.0 108.026 168.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 15.5 m -93.02 119.65 32.5 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.262 1.025 . . . . 0.0 110.37 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 31.2 mt -91.57 147.28 23.13 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 123.901 0.88 . . . . 0.0 111.011 171.308 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -135.44 161.35 39.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 126.12 1.768 . . . . 0.0 110.228 -179.427 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -70.64 138.23 50.56 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.339 -0.85 . . . . 0.0 111.79 175.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? . . . . . 0 N--CA 1.482 1.139 0 O-C-N 121.584 -0.697 . . . . 0.0 112.342 162.61 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.652 0 CA-C-O 121.633 0.73 . . . . 0.0 112.618 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -131.25 135.06 47.02 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 125.588 1.555 . . . . 0.0 110.809 168.549 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 85.5 t -99.91 144.12 12.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 125.413 1.485 . . . . 0.0 110.117 -174.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -138.21 141.46 37.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 125.144 1.378 . . . . 0.0 111.654 173.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 pp . . . . . 0 CA--C 1.538 0.505 0 C-N-CA 126.178 1.791 . . . . 0.0 111.111 179.46 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 67.3 t . . . . . 0 N--CA 1.474 0.74 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.2 mp0 -131.37 146.46 52.29 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.394 1.478 . . . . 0.0 111.655 177.578 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 25.6 mt -133.63 118.43 30.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.998 1.319 . . . . 0.0 108.872 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.43 155.71 27.35 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 123.706 0.669 . . . . 0.0 114.264 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 53.19 47.77 23.67 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.446 1.899 . . . . 0.0 114.623 168.609 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 m -75.34 138.15 21.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 O-C-N 121.484 -0.76 . . . . 0.0 111.938 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 80.2 mt -85.07 -33.59 22.41 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.465 1.106 . . . . 0.0 112.009 171.368 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 69.9 tt0 -154.44 145.93 23.12 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 118.72 0.691 . . . . 0.0 112.036 -172.696 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.5 t -136.48 136.52 48.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 126.166 1.786 . . . . 0.0 109.425 174.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -131.15 130.31 42.9 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.945 1.698 . . . . 0.0 111.278 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.573 0 C-N-CA 124.024 0.929 . . . . 0.0 109.099 162.998 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.569 0 CA-C-O 121.094 0.473 . . . . 0.0 111.552 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 90.4 t -109.23 137.92 39.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 123.035 0.534 . . . . 0.0 110.377 159.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 74.8 mtt85 -123.96 149.56 45.81 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.959 1.704 . . . . 0.0 111.068 174.594 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 37.3 t -138.36 145.51 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 125.633 1.573 . . . . 0.0 111.384 -172.281 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 68.7 m -124.8 132.86 53.3 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 125.049 1.339 . . . . 0.0 110.741 171.302 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 38.5 p -98.35 167.91 10.55 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.337 1.455 . . . . 0.0 112.99 178.176 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -63.2 -15.39 56.83 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 174.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -82.47 -0.61 47.17 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.835 1.254 . . . . 0.0 113.628 174.254 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 61.74 13.13 5.13 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 126.273 1.829 . . . . 0.0 113.781 -164.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -76.8 147.39 37.24 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.142 0.977 . . . . 0.0 110.311 168.087 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -129.38 151.49 49.96 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.02 1.328 . . . . 0.0 112.71 -173.425 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 -134.4 154.16 51.52 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.866 1.667 . . . . 0.0 111.202 -178.438 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -148.91 139.24 22.41 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.421 1.088 . . . . 0.0 112.179 -178.391 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -142.49 95.02 6.62 Favored Pre-proline 0 CA--C 1.544 0.742 0 C-N-CA 125.369 1.467 . . . . 0.0 111.488 -172.098 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -61.94 146.82 96.17 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 123.703 2.935 . . . . 0.0 113.494 175.331 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.12 1.32 89.92 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 124.978 1.275 . . . . 0.0 114.867 177.412 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.2 mt -98.25 160.95 13.96 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 118.43 1.115 . . . . 0.0 112.887 176.223 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.18 159.95 41.22 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 127.55 2.34 . . . . 0.0 110.802 164.427 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 32.2 mt -74.07 120.45 23.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 177.389 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -100.74 -38.55 3.39 Favored Glycine 0 N--CA 1.475 1.244 0 C-N-CA 124.417 1.008 . . . . 0.0 114.389 -175.237 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 70.1 ttt-85 -153.43 146.85 24.89 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.254 1.422 . . . . 0.0 111.056 -176.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.3 t -130.63 119.91 46.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 125.201 1.401 . . . . 0.0 109.166 171.084 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -116.47 96.34 5.47 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.414 1.485 . . . . 0.0 110.07 -175.192 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -75.88 -4.22 39.64 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.036 0.934 . . . . 0.0 113.294 -170.289 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 72.0 mtt85 -61.91 -28.37 69.48 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.221 1.008 . . . . 0.0 112.724 171.326 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.0 t -138.56 10.09 2.69 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.594 1.558 . . . . 0.0 113.041 175.206 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.29 31.2 79.76 Favored Glycine 0 CA--C 1.537 1.462 0 O-C-N 120.336 -1.477 . . . . 0.0 113.876 -179.122 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.1 t -84.93 124.68 40.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-N 118.917 1.359 . . . . 0.0 111.338 -177.285 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 91.2 mt -104.43 110.09 29.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 126.163 1.785 . . . . 0.0 108.362 172.187 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 51.0 m -97.17 121.93 39.62 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.083 0.953 . . . . 0.0 111.298 178.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.3 mt -95.96 150.65 20.22 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.461 1.104 . . . . 0.0 112.005 174.471 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -135.98 160.66 38.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 126.627 1.971 . . . . 0.0 110.46 -178.417 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -69.42 131.84 45.41 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.315 -0.865 . . . . 0.0 110.643 172.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 . . . . . 0 CA--C 1.549 0.919 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 -170.247 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 41.2 mtm . . . . . 0 N--CA 1.471 0.593 0 N-CA-C 113.885 1.068 . . . . 0.0 113.885 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -90.37 177.52 6.37 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.075 1.35 . . . . 0.0 112.328 176.174 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -126.31 135.5 51.59 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.219 1.408 . . . . 0.0 110.808 160.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 42.2 t -99.66 142.47 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.349 1.06 . . . . 0.0 110.123 -178.038 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 14.7 p -137.1 143.65 34.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 125.467 1.507 . . . . 0.0 111.523 174.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 pp -152.65 157.06 40.4 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.475 1.51 . . . . 0.0 112.634 -178.129 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 18.8 m -111.52 130.76 55.63 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.116 1.366 . . . . 0.0 109.789 169.615 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -82.52 162.14 22.11 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.734 1.613 . . . . 0.0 112.753 179.227 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.67 -24.39 66.71 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 175.304 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -75.16 -4.6 39.72 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 125.318 1.447 . . . . 0.0 113.951 173.267 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.34 -5.22 81.56 Favored Glycine 0 CA--C 1.542 1.729 0 C-N-CA 125.307 1.432 . . . . 0.0 115.152 -176.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.43 167.36 54.81 Favored Glycine 0 CA--C 1.533 1.167 0 CA-C-N 118.273 1.036 . . . . 0.0 112.6 171.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -127.7 152.48 47.66 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.543 1.137 . . . . 0.0 113.162 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 64.6 t -135.22 139.61 46.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.699 1.6 . . . . 0.0 109.812 -177.284 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -128.52 147.18 50.68 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.572 1.549 . . . . 0.0 111.037 176.577 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 34.7 mt -135.33 120.83 29.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 125.21 1.404 . . . . 0.0 108.993 -177.218 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -94.06 160.91 24.23 Favored Glycine 0 CA--C 1.542 1.777 0 C-N-CA 124.87 1.224 . . . . 0.0 113.669 177.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 50.83 45.98 26.66 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.723 1.609 . . . . 0.0 112.797 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 74.9 t -74.14 118.5 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 124.301 1.04 . . . . 0.0 110.067 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 21.8 tp -97.23 -23.65 16.07 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.095 1.358 . . . . 0.0 112.354 -176.196 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -156.77 147.7 21.87 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.291 0.95 . . . . 0.0 112.58 175.088 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 25.8 t -135.48 142.1 40.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 126.109 1.764 . . . . 0.0 110.244 174.005 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -137.13 145.5 43.91 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 125.273 1.429 . . . . 0.0 111.33 176.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.497 0 C-N-CA 124.981 1.312 . . . . 0.0 111.011 177.094 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.589 0 CA-C-O 121.114 0.483 . . . . 0.0 112.214 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 94.2 t -102.55 137.98 28.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 123.854 0.861 . . . . 0.0 111.045 177.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -118.62 147.36 43.83 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.448 1.899 . . . . 0.0 110.312 175.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 22.1 t -136.55 140.81 42.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.662 1.585 . . . . 0.0 110.371 -178.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 46.3 m -123.75 127.55 48.29 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.935 1.294 . . . . 0.0 110.511 172.332 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 49.3 p -87.92 167.01 14.11 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.551 1.14 . . . . 0.0 112.847 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 60.5 tp -47.44 -35.14 8.09 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.613 1.965 . . . . 0.0 113.488 165.632 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -82.75 5.21 22.15 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.087 1.755 . . . . 0.0 113.589 -176.039 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 60.9 12.42 3.84 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.636 1.975 . . . . 0.0 114.333 -171.357 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -74.24 133.83 42.67 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 120.708 -1.245 . . . . 0.0 110.208 168.407 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -109.72 146.92 34.09 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.855 1.262 . . . . 0.0 112.37 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -134.76 152.03 51.43 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.827 1.651 . . . . 0.0 111.19 177.386 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.77 141.29 29.09 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.552 1.141 . . . . 0.0 111.79 -179.145 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -139.89 88.02 12.3 Favored Pre-proline 0 CA--C 1.543 0.688 0 C-N-CA 125.36 1.464 . . . . 0.0 110.776 -170.007 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -68.27 145.88 67.53 Favored 'Trans proline' 0 CA--C 1.537 0.668 0 C-N-CA 122.953 2.435 . . . . 0.0 111.785 174.223 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.53 4.4 73.44 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 125.569 1.557 . . . . 0.0 114.666 -175.289 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 50.7 mt -114.51 163.38 15.45 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.154 1.381 . . . . 0.0 113.362 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.37 160.34 40.34 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 127.293 2.237 . . . . 0.0 109.875 164.374 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 33.9 mt -71.09 120.04 18.41 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 O-C-N 121.186 -0.946 . . . . 0.0 108.775 173.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -94.74 -45.42 3.16 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 123.966 0.793 . . . . 0.0 113.366 -178.158 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 41.6 ttp85 -150.03 147.15 27.48 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.58 1.152 . . . . 0.0 111.72 -173.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 24.4 t -129.32 130.77 67.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 125.393 1.477 . . . . 0.0 108.503 171.202 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -133.34 100.98 5.0 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.027 1.331 . . . . 0.0 110.375 -173.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -81.72 -8.97 59.75 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.423 1.489 . . . . 0.0 113.233 -168.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 25.6 mtm180 -68.89 -23.46 64.2 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.039 1.336 . . . . 0.0 112.036 171.299 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 44.9 m -128.61 -0.4 5.51 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.24 1.816 . . . . 0.0 113.83 179.206 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.86 24.73 73.01 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 124.697 1.141 . . . . 0.0 114.516 -176.468 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.7 t -91.59 135.17 27.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-N 118.865 1.333 . . . . 0.0 111.596 -173.265 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 89.5 mt -113.4 121.73 66.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 125.935 1.694 . . . . 0.0 107.31 165.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 34.4 t -114.24 123.28 49.17 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 124.663 1.185 . . . . 0.0 111.25 -177.39 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 23.3 mt -94.11 148.77 21.86 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.547 1.139 . . . . 0.0 112.215 178.612 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -130.22 158.72 42.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 125.958 1.703 . . . . 0.0 110.783 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -69.9 129.48 39.63 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.593 -0.692 . . . . 0.0 111.587 177.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? . . . . . 0 N--CA 1.477 0.897 0 N-CA-C 114.093 1.145 . . . . 0.0 114.093 -174.807 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.873 0 CA-C-O 121.171 0.51 . . . . 0.0 112.094 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -130.23 142.99 50.52 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.512 1.525 . . . . 0.0 111.547 166.178 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 32.6 t -99.96 141.67 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.532 1.133 . . . . 0.0 109.8 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.3 p -140.73 142.78 29.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 123.841 0.856 . . . . 0.0 112.518 178.247 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 pp . . . . . 0 N--CA 1.47 0.535 0 C-N-CA 125.079 1.351 . . . . 0.0 113.017 -172.965 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.4 t . . . . . 0 N--CA 1.476 0.855 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -140.79 128.39 21.47 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.212 1.405 . . . . 0.0 110.37 -174.295 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 83.1 mt -131.8 110.01 16.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 124.743 1.217 . . . . 0.0 110.102 -166.301 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.22 159.48 41.26 Favored Glycine 0 CA--C 1.534 1.242 0 C-N-CA 124.37 0.986 . . . . 0.0 115.0 -176.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 55.29 44.42 27.47 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.269 1.828 . . . . 0.0 114.167 169.267 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -71.54 133.16 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 124.146 0.978 . . . . 0.0 110.825 -178.591 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.1 mt -85.15 -41.42 15.69 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.975 0.91 . . . . 0.0 111.289 174.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -153.42 143.53 22.2 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.497 1.119 . . . . 0.0 111.067 178.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.6 p -134.44 137.75 50.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 126.383 1.873 . . . . 0.0 109.907 175.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 32.6 mtp-105 -135.22 137.67 42.85 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.476 1.51 . . . . 0.0 111.452 -173.712 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.628 0 C-N-CA 125.054 1.342 . . . . 0.0 108.285 166.295 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.518 0 CA-C-O 120.695 0.284 . . . . 0.0 111.508 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.1 t -105.55 139.46 26.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 O-C-N 121.602 -0.686 . . . . 0.0 110.476 160.66 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -127.0 141.2 51.85 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 126.822 2.049 . . . . 0.0 109.966 -177.28 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.4 m -133.67 152.28 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 C-N-CA 124.834 1.254 . . . . 0.0 112.613 -174.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 47.9 m -134.23 134.84 42.47 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.974 1.709 . . . . 0.0 110.675 173.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.2 p -117.73 165.51 13.54 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 124.483 1.113 . . . . 0.0 112.886 -178.455 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -66.13 -9.45 31.59 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 114.914 1.449 . . . . 0.0 114.914 176.672 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -81.34 4.86 19.18 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.916 1.286 . . . . 0.0 113.084 171.35 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 61.87 16.01 7.63 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 127.266 2.226 . . . . 0.0 114.345 -170.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -78.39 150.52 33.13 Favored 'General case' 0 C--O 1.237 0.406 0 O-C-N 121.212 -0.93 . . . . 0.0 112.669 171.108 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -134.69 140.6 46.11 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.515 1.526 . . . . 0.0 110.6 172.034 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -143.16 155.64 44.6 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.543 1.537 . . . . 0.0 111.613 -178.153 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -139.84 145.97 38.77 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.129 1.372 . . . . 0.0 112.726 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -137.09 94.36 12.6 Favored Pre-proline 0 CA--C 1.545 0.759 0 C-N-CA 126.071 1.748 . . . . 0.0 110.096 -174.027 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.07 149.82 65.43 Favored 'Trans proline' 0 CA--C 1.534 0.48 0 C-N-CA 123.101 2.534 . . . . 0.0 113.512 -178.352 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.67 7.09 82.24 Favored Glycine 0 CA--C 1.531 1.061 0 C-N-CA 125.528 1.537 . . . . 0.0 114.905 -177.243 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 75.7 mt -113.44 161.08 17.76 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.971 1.309 . . . . 0.0 113.8 -177.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.1 160.86 39.37 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 127.793 2.437 . . . . 0.0 109.509 166.643 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 42.3 mt -73.82 121.51 24.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 O-C-N 120.977 -1.077 . . . . 0.0 109.183 178.146 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -95.63 -49.9 2.07 Favored Glycine 0 CA--C 1.528 0.886 0 C-N-CA 124.628 1.108 . . . . 0.0 114.054 -173.754 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 30.8 mtm105 -148.9 162.97 38.79 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.665 1.186 . . . . 0.0 111.892 178.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.4 t -130.59 125.27 58.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 123.654 0.782 . . . . 0.0 110.531 163.303 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -94.09 90.94 6.6 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.937 1.695 . . . . 0.0 110.005 170.476 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -68.67 -10.61 57.29 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 120.882 -1.136 . . . . 0.0 112.226 174.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -60.43 -29.0 68.72 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.522 1.929 . . . . 0.0 113.138 167.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 90.5 p -139.88 -7.67 1.24 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.11 1.364 . . . . 0.0 114.164 -171.3 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.98 16.52 78.78 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 124.997 1.284 . . . . 0.0 114.854 -177.013 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 97.9 t -88.92 121.88 39.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 CA-C-N 119.561 1.68 . . . . 0.0 111.81 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 93.6 mt -97.26 114.17 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 126.008 1.723 . . . . 0.0 107.768 168.716 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.9 t -100.71 122.58 43.59 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.551 1.14 . . . . 0.0 111.28 -176.163 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.0 mt -93.32 151.89 19.5 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.428 1.091 . . . . 0.0 112.759 175.61 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -136.91 162.11 34.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 126.489 1.916 . . . . 0.0 110.923 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 54.8 mp0 -68.75 133.17 47.99 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.462 -0.774 . . . . 0.0 111.656 178.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? . . . . . 0 N--CA 1.477 0.876 0 N-CA-C 114.659 1.355 . . . . 0.0 114.659 -173.582 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 4.2 mpp? . . . . . 0 CA--C 1.552 1.035 0 CA-C-O 122.124 0.964 . . . . 0.0 113.388 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.03 -176.8 4.62 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.942 1.697 . . . . 0.0 110.832 175.615 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -125.56 142.43 51.51 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.66 0.784 . . . . 0.0 112.869 166.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 25.4 t -100.45 142.76 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.846 1.658 . . . . 0.0 110.129 176.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 14.6 p -134.05 138.62 49.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 125.069 1.348 . . . . 0.0 111.76 175.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 pp -150.17 159.37 44.47 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.241 1.416 . . . . 0.0 112.682 -174.613 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 13.4 m -109.22 132.18 54.37 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.165 1.386 . . . . 0.0 110.835 175.263 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -80.97 163.16 23.51 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.583 1.553 . . . . 0.0 112.983 178.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.88 -21.94 65.13 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 123.768 0.827 . . . . 0.0 112.827 166.313 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -69.27 -11.49 60.85 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.658 1.583 . . . . 0.0 113.434 171.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.6 -10.64 49.93 Favored Glycine 0 CA--C 1.54 1.655 0 C-N-CA 125.573 1.558 . . . . 0.0 115.008 -172.37 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.44 170.64 54.91 Favored Glycine 0 CA--C 1.532 1.14 0 CA-C-N 118.325 1.063 . . . . 0.0 112.805 170.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -122.56 153.25 39.49 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.95 1.3 . . . . 0.0 113.258 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 88.2 t -130.93 136.63 57.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 126.342 1.857 . . . . 0.0 110.009 -177.259 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -116.8 142.69 46.59 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.173 1.389 . . . . 0.0 110.73 170.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 69.7 mt -128.42 109.39 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 125.622 1.569 . . . . 0.0 108.201 -176.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.2 165.17 41.01 Favored Glycine 0 CA--C 1.538 1.518 0 C-N-CA 124.34 0.972 . . . . 0.0 114.345 -178.637 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 53.4 39.38 29.82 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.252 1.821 . . . . 0.0 114.092 174.31 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 61.7 t -70.97 126.1 30.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 125.227 1.411 . . . . 0.0 110.35 178.509 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 5.0 tt -105.65 -23.9 12.66 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.321 1.848 . . . . 0.0 112.719 -176.475 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -153.99 149.05 26.82 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.07 1.348 . . . . 0.0 110.79 167.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 11.5 p -140.67 145.91 24.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.807 1.243 . . . . 0.0 110.657 173.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 35.0 mtt85 -143.71 123.38 13.32 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.378 1.471 . . . . 0.0 111.993 -169.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.725 0 C-N-CA 124.138 0.975 . . . . 0.0 108.527 162.083 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.606 0 CA-C-O 120.851 0.358 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 64.9 t -97.94 133.15 41.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 O-C-N 121.864 -0.522 . . . . 0.0 110.016 154.307 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.75 145.8 39.9 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.991 1.716 . . . . 0.0 109.307 168.579 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 13.5 p -145.2 142.91 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.134 0.973 . . . . 0.0 111.473 -172.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 37.3 m -124.68 138.14 54.31 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.859 2.064 . . . . 0.0 110.763 -172.238 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 40.4 p -108.85 164.17 12.63 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.531 1.132 . . . . 0.0 111.614 172.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -64.88 -11.41 37.46 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 175.163 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -77.24 1.11 19.52 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.637 1.175 . . . . 0.0 113.152 172.071 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.2 t0 60.83 18.52 8.76 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 127.03 2.132 . . . . 0.0 113.846 -168.438 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 60.1 tt0 -86.6 141.8 28.73 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.251 1.42 . . . . 0.0 110.655 170.271 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -127.37 152.13 47.89 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.772 1.229 . . . . 0.0 112.857 177.757 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 67.6 m-70 -132.6 158.38 42.37 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.825 1.65 . . . . 0.0 111.113 178.344 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -140.73 141.13 34.93 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.471 1.109 . . . . 0.0 112.318 -176.721 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -140.34 93.05 9.09 Favored Pre-proline 0 CA--C 1.543 0.699 0 C-N-CA 125.635 1.574 . . . . 0.0 111.233 -174.396 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -59.84 146.64 95.17 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 124.044 3.163 . . . . 0.0 114.271 178.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.58 6.39 88.2 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.551 1.072 . . . . 0.0 115.211 178.322 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 48.7 mt -102.83 162.32 13.02 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 118.764 1.282 . . . . 0.0 113.252 174.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.56 162.47 35.8 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 127.758 2.423 . . . . 0.0 110.022 164.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 33.1 mt -73.84 120.0 22.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 O-C-N 120.868 -1.145 . . . . 0.0 108.897 175.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.32 -34.0 5.75 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 124.092 0.853 . . . . 0.0 114.63 -177.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 27.5 ttp85 -157.73 147.06 19.83 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.989 1.316 . . . . 0.0 111.584 -173.47 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 7.7 t -126.59 131.59 71.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 124.354 1.061 . . . . 0.0 109.207 164.131 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -129.48 95.53 4.03 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 126.462 1.905 . . . . 0.0 110.081 -171.103 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -80.73 -15.48 56.37 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.818 1.247 . . . . 0.0 112.786 -166.265 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -67.4 -18.44 65.12 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.054 0.941 . . . . 0.0 112.614 170.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 49.5 m -127.89 -5.48 5.66 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.373 1.469 . . . . 0.0 114.609 176.309 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.83 31.81 73.26 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 124.522 1.058 . . . . 0.0 114.614 -175.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 94.1 t -103.39 137.25 32.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.562 1.145 . . . . 0.0 112.053 -173.23 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 13.1 mt -115.15 109.83 29.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 C-N-CA 126.302 1.841 . . . . 0.0 107.671 171.195 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 18.0 m -94.81 121.33 36.28 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.563 -0.711 . . . . 0.0 110.766 178.314 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 28.1 mt -88.1 152.8 21.75 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.768 0.827 . . . . 0.0 111.919 173.432 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -132.57 158.09 43.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 126.673 1.989 . . . . 0.0 111.037 178.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -70.26 127.13 31.73 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.204 1.002 . . . . 0.0 110.524 173.453 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? . . . . . 0 CA--C 1.546 0.817 0 N-CA-C 114.317 1.228 . . . . 0.0 114.317 -169.456 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.775 0 CA-C-O 120.541 0.21 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -105.46 143.8 33.12 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.802 0.841 . . . . 0.0 111.776 163.692 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.6 t -99.27 137.59 26.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 125.015 1.326 . . . . 0.0 109.045 171.271 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.9 p -132.63 141.67 44.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 125.078 1.351 . . . . 0.0 112.201 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 pp . . . . . 0 N--CA 1.47 0.545 0 C-N-CA 125.387 1.475 . . . . 0.0 112.365 -176.33 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.1 t . . . . . 0 N--CA 1.474 0.756 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -127.66 143.05 51.19 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.161 1.384 . . . . 0.0 111.628 179.008 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -129.09 102.67 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 126.095 1.758 . . . . 0.0 108.082 177.003 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.0 160.21 44.38 Favored Glycine 0 CA--C 1.533 1.219 0 C-N-CA 124.229 0.919 . . . . 0.0 114.25 179.256 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 52.56 47.52 24.52 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.524 1.53 . . . . 0.0 113.519 174.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.8 m -70.8 131.31 34.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 O-C-N 120.928 -1.107 . . . . 0.0 110.671 172.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.7 mt -77.18 -32.13 55.9 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.257 1.023 . . . . 0.0 111.278 167.348 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -157.71 149.71 22.2 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.181 1.393 . . . . 0.0 112.072 -178.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.1 p -138.55 138.58 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 126.514 1.926 . . . . 0.0 110.529 170.427 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.31 138.6 40.17 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.844 1.258 . . . . 0.0 111.476 -177.722 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.85 0 C-N-CA 125.261 1.424 . . . . 0.0 110.457 167.92 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.665 0 CA-C-O 121.004 0.43 . . . . 0.0 111.471 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 79.3 t -114.22 143.85 23.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 124.137 0.975 . . . . 0.0 111.285 167.684 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -130.19 143.99 51.1 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.344 1.458 . . . . 0.0 110.806 175.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.7 m -135.13 150.67 29.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 125.343 1.457 . . . . 0.0 111.236 -176.287 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 23.9 m -134.49 130.81 37.24 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.172 0.989 . . . . 0.0 110.121 173.219 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 21.0 p -97.09 168.77 10.25 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.553 1.141 . . . . 0.0 113.961 -172.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.9 tp -49.64 -30.89 9.7 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.064 2.146 . . . . 0.0 114.079 172.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -91.09 10.72 25.68 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.787 1.635 . . . . 0.0 113.666 -178.468 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 62.41 15.52 7.81 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.936 2.095 . . . . 0.0 114.772 -174.312 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -77.66 154.88 31.76 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.841 -1.162 . . . . 0.0 110.814 168.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -139.37 141.28 37.6 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.3 1.04 . . . . 0.0 111.334 -172.208 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 58.6 m-70 -137.04 156.37 48.51 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.058 1.343 . . . . 0.0 111.315 178.094 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.16 142.71 34.02 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.767 1.227 . . . . 0.0 111.533 -179.211 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -139.1 91.69 11.23 Favored Pre-proline 0 CA--C 1.544 0.747 0 C-N-CA 125.454 1.502 . . . . 0.0 111.084 -168.392 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -61.14 145.99 98.12 Favored 'Trans proline' 0 CA--C 1.535 0.526 0 C-N-CA 123.614 2.876 . . . . 0.0 113.525 175.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.01 2.28 88.4 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 125.03 1.3 . . . . 0.0 114.689 177.692 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 61.2 mt -107.75 161.48 14.85 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 118.705 1.252 . . . . 0.0 113.523 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.28 160.88 39.38 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 127.851 2.461 . . . . 0.0 109.723 165.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 30.6 mt -72.31 122.07 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 O-C-N 120.924 -1.11 . . . . 0.0 108.957 176.212 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.69 -37.1 3.55 Favored Glycine 0 N--CA 1.47 0.961 0 C-N-CA 124.078 0.847 . . . . 0.0 114.854 -175.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -152.81 144.6 23.58 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.261 1.024 . . . . 0.0 111.733 -172.405 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.5 t -136.22 119.21 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 125.649 1.58 . . . . 0.0 108.824 176.102 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -120.88 108.46 13.94 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.524 1.129 . . . . 0.0 110.773 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -82.3 -14.44 55.39 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.176 1.39 . . . . 0.0 112.953 -173.187 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 29.8 mtm180 -73.05 -41.87 63.7 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.57 1.148 . . . . 0.0 110.643 173.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.7 t -90.59 -30.39 17.24 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.492 1.517 . . . . 0.0 113.898 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.36 42.39 9.34 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.526 1.06 . . . . 0.0 112.794 -174.225 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 81.3 t -130.16 139.66 50.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 124.456 1.103 . . . . 0.0 111.431 -171.013 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 81.3 mt -123.2 117.47 51.67 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 C-N-CA 126.79 2.036 . . . . 0.0 108.51 177.58 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.8 m -102.83 129.06 49.39 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.936 0.895 . . . . 0.0 110.989 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.3 mt -90.76 151.53 21.17 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.646 1.178 . . . . 0.0 111.584 172.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -134.03 161.56 40.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 126.014 1.726 . . . . 0.0 110.777 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -64.42 126.0 26.41 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.72 0.808 . . . . 0.0 111.532 174.625 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? . . . . . 0 N--CA 1.479 0.996 0 O-C-N 121.275 -0.891 . . . . 0.0 112.959 177.052 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 4.8 mpp? . . . . . 0 N--CA 1.473 0.682 0 CA-C-O 121.767 0.794 . . . . 0.0 112.844 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.21 -178.36 3.88 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.038 1.335 . . . . 0.0 112.942 172.233 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -132.78 150.57 52.14 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.097 1.759 . . . . 0.0 111.251 166.66 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 9.5 t -107.02 144.26 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 C-N-CA 125.047 1.339 . . . . 0.0 110.761 176.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.9 p -139.53 144.37 28.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 125.096 1.358 . . . . 0.0 112.217 173.142 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 pp -153.74 164.25 38.63 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.235 1.814 . . . . 0.0 112.164 178.218 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 20.9 m -116.81 128.92 55.75 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.516 1.126 . . . . 0.0 110.471 170.368 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -74.45 165.21 25.58 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.553 1.141 . . . . 0.0 112.999 178.562 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.58 -20.94 63.85 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 123.838 0.855 . . . . 0.0 112.939 165.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -69.13 -10.85 59.66 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.686 1.594 . . . . 0.0 113.439 170.37 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.35 -9.88 52.4 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 125.673 1.606 . . . . 0.0 114.725 -172.624 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.76 142.82 23.87 Favored Glycine 0 CA--C 1.532 1.126 0 CA-C-N 118.653 1.227 . . . . 0.0 112.283 175.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 96.2 mtm-85 -86.91 151.98 22.83 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.36 1.064 . . . . 0.0 112.374 176.337 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 85.8 t -132.33 139.15 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 125.947 1.699 . . . . 0.0 109.429 177.09 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -134.06 142.93 47.75 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.266 1.426 . . . . 0.0 111.363 -178.581 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 37.5 mt -130.78 114.16 26.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 125.316 1.446 . . . . 0.0 109.154 178.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -86.39 158.44 31.26 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 123.772 0.701 . . . . 0.0 114.061 177.213 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 54.23 44.51 28.98 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 126.412 1.885 . . . . 0.0 114.446 171.412 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 11.8 p -75.09 138.47 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.393 1.077 . . . . 0.0 112.533 -177.54 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 76.4 mt -91.4 -37.76 13.0 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.255 1.022 . . . . 0.0 112.724 174.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -152.24 145.19 24.46 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.919 0.888 . . . . 0.0 112.53 -177.143 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 9.9 t -135.58 140.27 44.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 125.826 1.651 . . . . 0.0 109.883 172.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -135.28 136.49 41.68 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.644 1.577 . . . . 0.0 111.111 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.698 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 160.687 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.678 0 CA-C-O 120.793 0.33 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 71.2 t -107.11 138.52 32.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 123.225 0.61 . . . . 0.0 110.413 162.515 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -130.1 138.79 50.88 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 126.285 1.834 . . . . 0.0 109.593 -179.477 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -146.51 145.97 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 124.015 0.926 . . . . 0.0 112.113 -168.376 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 47.5 m -131.77 126.33 34.15 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.802 1.241 . . . . 0.0 112.932 -177.472 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 30.7 p -87.37 170.48 11.36 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 124.997 1.319 . . . . 0.0 113.65 178.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -62.02 -15.47 44.54 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 172.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -87.16 3.96 44.28 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.774 1.23 . . . . 0.0 113.162 174.207 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 62.32 12.96 5.6 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.783 2.033 . . . . 0.0 114.21 -168.155 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -73.0 127.36 32.33 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.231 -0.918 . . . . 0.0 110.473 171.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -99.72 149.14 23.63 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.962 1.305 . . . . 0.0 112.284 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -135.07 147.47 49.58 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 126.091 1.756 . . . . 0.0 110.734 178.209 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.11 139.23 28.75 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.239 1.015 . . . . 0.0 112.598 -178.578 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -139.77 90.4 11.05 Favored Pre-proline 0 CA--C 1.542 0.671 0 C-N-CA 125.312 1.445 . . . . 0.0 110.847 -173.136 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -66.05 145.12 78.42 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 123.375 2.717 . . . . 0.0 112.416 177.398 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.7 3.15 83.93 Favored Glycine 0 CA--C 1.539 1.549 0 C-N-CA 124.929 1.252 . . . . 0.0 114.8 -177.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 64.1 mt -109.53 162.3 14.52 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 118.852 1.326 . . . . 0.0 113.598 177.184 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.46 162.0 35.6 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 128.056 2.542 . . . . 0.0 109.737 162.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 58.1 mt -72.14 124.92 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 O-C-N 121.157 -0.964 . . . . 0.0 109.044 177.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -106.03 -34.34 3.24 Favored Glycine 0 CA--C 1.527 0.784 0 C-N-CA 124.736 1.16 . . . . 0.0 114.718 -172.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 34.6 ttp85 -155.21 148.31 24.72 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.016 1.408 . . . . 0.0 111.784 -177.097 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 8.8 t -130.82 127.74 61.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 123.412 0.685 . . . . 0.0 109.267 161.376 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -118.9 86.93 2.64 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.53 1.532 . . . . 0.0 110.06 -174.263 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -65.02 -20.7 66.63 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.045 1.338 . . . . 0.0 113.126 -169.319 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 55.7 mtm180 -61.99 -25.82 67.86 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.981 1.313 . . . . 0.0 113.224 172.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 8.1 t -127.41 -7.06 5.81 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.492 1.517 . . . . 0.0 113.791 -178.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.21 24.1 74.27 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 125.345 1.45 . . . . 0.0 114.634 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 84.1 t -98.46 126.31 51.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 CA-C-N 118.628 1.214 . . . . 0.0 111.457 -175.707 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 83.1 mt -97.95 128.88 48.91 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 C-N-CA 127.15 2.18 . . . . 0.0 107.965 165.593 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 23.1 t -123.99 138.9 54.39 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.315 1.046 . . . . 0.0 111.117 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 23.5 mt -109.45 151.31 26.87 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.991 1.317 . . . . 0.0 112.276 -175.165 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -132.91 159.33 43.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 126.048 1.739 . . . . 0.0 111.445 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -70.66 128.73 37.07 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.339 -0.851 . . . . 0.0 111.94 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? . . . . . 0 N--CA 1.48 1.041 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 -178.998 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.517 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.8 tttt -106.56 130.68 54.29 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 126.276 1.83 . . . . 0.0 110.003 166.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 74.0 t -99.52 139.05 22.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 124.531 1.132 . . . . 0.0 109.15 166.123 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.4 p -139.68 139.29 38.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.2 1.0 . . . . 0.0 113.14 -178.461 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.646 0 C-N-CA 127.146 2.178 . . . . 0.0 110.22 175.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 24.2 t . . . . . 0 N--CA 1.47 0.546 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -136.57 131.18 33.46 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.663 1.185 . . . . 0.0 110.267 -178.328 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 41.0 mt -128.16 106.24 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 124.77 1.228 . . . . 0.0 108.245 -171.652 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.17 169.75 38.47 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 124.044 0.83 . . . . 0.0 114.682 178.266 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 58.15 35.37 25.02 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.996 1.719 . . . . 0.0 113.791 173.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 68.8 t -74.08 130.73 35.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 125.697 1.599 . . . . 0.0 111.756 -177.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 71.3 mt -99.23 -25.88 14.36 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.413 1.485 . . . . 0.0 113.491 175.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -157.46 142.57 16.94 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.329 0.968 . . . . 0.0 111.668 -177.272 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.8 t -134.84 142.62 39.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 125.539 1.536 . . . . 0.0 110.026 174.639 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.88 142.68 46.65 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.66 1.584 . . . . 0.0 110.619 176.81 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.648 0 C-N-CA 124.182 0.993 . . . . 0.0 109.286 164.078 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.458 0 CA-C-O 120.635 0.255 . . . . 0.0 111.616 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 70.6 t -99.18 140.89 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 122.592 0.357 . . . . 0.0 110.119 164.243 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.3 mtt180 -132.51 139.0 47.73 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.486 1.514 . . . . 0.0 109.553 -169.513 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.2 t -138.32 146.65 26.45 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 C-N-CA 123.946 0.899 . . . . 0.0 111.874 -166.713 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 53.1 m -132.3 142.43 49.35 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 125.262 1.425 . . . . 0.0 110.867 172.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 72.6 p -123.64 167.09 14.42 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 126.261 1.824 . . . . 0.0 111.711 -177.001 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.51 -6.25 10.19 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 115.42 1.637 . . . . 0.0 115.42 176.633 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -78.79 2.56 19.44 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.645 1.178 . . . . 0.0 112.855 170.472 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 61.41 16.42 7.46 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 126.717 2.007 . . . . 0.0 114.188 -170.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -79.96 158.37 26.62 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 122.45 1.119 . . . . 0.0 112.786 173.657 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -132.39 138.92 47.88 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 126.103 1.761 . . . . 0.0 110.308 178.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -137.05 152.78 50.47 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.102 1.361 . . . . 0.0 111.164 -173.143 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -146.42 143.09 28.79 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.246 1.018 . . . . 0.0 112.129 177.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -137.73 87.08 17.53 Favored Pre-proline 0 CA--C 1.547 0.856 0 C-N-CA 125.777 1.631 . . . . 0.0 109.991 -170.02 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -67.87 145.55 68.85 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 123.273 2.649 . . . . 0.0 112.64 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.12 5.25 76.94 Favored Glycine 0 CA--C 1.533 1.164 0 C-N-CA 124.862 1.22 . . . . 0.0 114.352 -178.453 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.6 mt -112.86 160.43 18.04 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.333 1.453 . . . . 0.0 113.976 178.683 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.32 161.16 38.74 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 127.753 2.421 . . . . 0.0 110.283 167.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 55.1 mt -71.83 124.4 28.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 O-C-N 121.062 -1.024 . . . . 0.0 109.285 176.509 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -90.08 -53.07 2.43 Favored Glycine 0 CA--C 1.53 0.995 0 C-N-CA 124.622 1.106 . . . . 0.0 112.702 177.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.1 ptt85 -153.25 161.47 42.36 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.625 1.17 . . . . 0.0 112.837 176.346 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.9 t -129.75 127.9 64.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 124.625 1.17 . . . . 0.0 109.791 170.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -122.44 103.85 9.0 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.651 1.18 . . . . 0.0 111.263 -174.302 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -81.85 -4.96 57.76 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.003 1.321 . . . . 0.0 113.13 -170.565 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.8 mtm180 -71.44 -23.57 61.87 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.478 1.111 . . . . 0.0 111.888 168.677 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.3 m -125.89 -12.24 6.5 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.059 1.344 . . . . 0.0 113.846 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.07 29.29 62.88 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 124.374 0.988 . . . . 0.0 113.435 -176.615 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.7 t -102.95 127.2 56.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 124.597 1.159 . . . . 0.0 111.594 -173.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.2 mt -100.31 113.0 34.63 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 C-N-CA 126.908 2.083 . . . . 0.0 107.879 167.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 27.2 t -101.03 124.41 46.71 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 124.897 1.279 . . . . 0.0 111.099 -177.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.7 mt -99.81 152.39 20.18 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.31 1.044 . . . . 0.0 112.802 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -135.72 159.78 39.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 126.296 1.838 . . . . 0.0 110.328 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.2 mp0 -69.51 130.18 41.76 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.21 -0.931 . . . . 0.0 111.706 178.486 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.476 0.85 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -176.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 35.8 mtm . . . . . 0 N--CA 1.469 0.49 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.67 170.68 14.73 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-O 122.311 1.053 . . . . 0.0 113.349 177.385 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -132.12 135.2 46.24 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 125.657 1.583 . . . . 0.0 110.608 165.393 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 39.8 t -99.77 142.87 14.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 124.657 1.183 . . . . 0.0 110.455 -177.389 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 9.7 p -133.91 138.61 50.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 C-N-CA 125.421 1.488 . . . . 0.0 111.255 170.19 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -152.06 168.08 26.4 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.72 1.608 . . . . 0.0 111.904 -177.525 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.7 m -125.41 130.25 51.49 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.396 1.078 . . . . 0.0 110.047 173.246 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -73.08 162.14 29.81 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.188 1.395 . . . . 0.0 112.207 176.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.41 -24.33 66.44 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 113.299 0.852 . . . . 0.0 113.299 175.531 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -76.02 -3.28 34.86 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 124.953 1.301 . . . . 0.0 114.231 171.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.06 -1.55 88.75 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 125.861 1.696 . . . . 0.0 115.435 -176.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.77 134.66 14.85 Favored Glycine 0 CA--C 1.534 1.27 0 CA-C-N 118.707 1.253 . . . . 0.0 113.165 178.351 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 8.3 mmt85 -75.85 149.1 37.9 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.882 1.273 . . . . 0.0 112.416 174.548 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 90.8 t -138.33 137.81 43.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.597 1.559 . . . . 0.0 109.456 172.293 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -132.21 140.35 48.66 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.855 1.662 . . . . 0.0 110.921 177.294 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 52.8 mt -135.4 122.45 35.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.547 1.139 . . . . 0.0 109.84 -171.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -96.81 165.03 23.05 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 125.048 1.308 . . . . 0.0 114.405 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 50.87 45.86 26.9 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.199 1.799 . . . . 0.0 112.791 178.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 85.4 t -74.88 121.69 26.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 C-N-CA 124.422 1.089 . . . . 0.0 109.972 -178.076 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 15.8 tp -94.91 -32.15 13.35 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.102 1.761 . . . . 0.0 111.901 -172.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 62.5 tt0 -157.33 148.14 21.41 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.025 1.73 . . . . 0.0 111.287 174.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 5.4 m -131.23 152.23 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 C-N-CA 124.663 1.185 . . . . 0.0 111.395 164.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -139.36 140.1 37.39 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.597 1.559 . . . . 0.0 111.273 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.492 0 C-N-CA 124.15 0.98 . . . . 0.0 108.79 166.328 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.525 0 CA-C-O 120.783 0.325 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 80.1 t -113.33 139.47 38.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 123.6 0.76 . . . . 0.0 110.72 166.188 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -117.48 143.5 45.99 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.711 1.605 . . . . 0.0 110.006 172.477 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 4.3 m -136.93 142.43 37.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.105 0.962 . . . . 0.0 111.522 -178.306 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 87.0 m -125.89 133.25 51.96 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.622 1.569 . . . . 0.0 110.234 -178.542 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 43.0 p -101.4 168.07 9.76 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 122.267 1.032 . . . . 0.0 113.142 -176.71 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 63.2 tp -49.76 -33.93 17.76 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.281 1.832 . . . . 0.0 113.838 170.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -80.6 6.63 12.07 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.892 1.677 . . . . 0.0 114.03 -176.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 30.6 t0 61.13 21.17 11.61 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.545 1.938 . . . . 0.0 114.032 -174.246 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -83.9 157.25 22.02 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 122.056 0.931 . . . . 0.0 111.267 165.625 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -140.7 139.63 34.77 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.685 1.194 . . . . 0.0 111.131 -176.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -135.04 153.73 51.96 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.282 1.433 . . . . 0.0 110.768 -176.624 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -138.7 141.57 38.96 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.335 1.054 . . . . 0.0 112.129 -177.216 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -137.27 93.47 12.96 Favored Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 125.281 1.432 . . . . 0.0 110.459 -170.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -61.37 146.17 97.49 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 123.888 3.059 . . . . 0.0 113.777 176.685 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.32 8.05 87.64 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 124.804 1.192 . . . . 0.0 114.57 177.497 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 62.3 mt -108.53 162.07 14.47 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 118.766 1.283 . . . . 0.0 113.254 177.311 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.44 159.21 42.7 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.545 2.338 . . . . 0.0 110.003 166.08 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 26.3 mt -71.96 112.76 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 174.164 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -85.36 -45.81 5.74 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 123.809 0.719 . . . . 0.0 113.325 -178.041 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -153.61 159.56 42.16 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.198 1.399 . . . . 0.0 112.793 178.411 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 11.7 t -130.61 114.44 28.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 126.014 1.725 . . . . 0.0 108.499 171.293 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -101.67 88.56 3.44 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.923 1.289 . . . . 0.0 109.698 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -65.32 -16.75 63.91 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -172.317 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 55.5 mtt85 -59.97 -24.54 64.5 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.125 1.37 . . . . 0.0 113.463 174.253 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 20.8 t -134.33 -0.78 2.94 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.416 1.886 . . . . 0.0 112.895 177.06 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.26 24.75 74.83 Favored Glycine 0 CA--C 1.533 1.198 0 O-C-N 120.566 -1.334 . . . . 0.0 113.922 -175.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 93.8 t -81.56 118.14 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 CA-C-N 118.24 1.02 . . . . 0.0 111.337 -177.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 78.7 mt -97.07 119.09 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 125.19 1.396 . . . . 0.0 107.908 169.5 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 12.1 t -107.84 125.01 50.94 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.621 0.768 . . . . 0.0 111.082 177.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 23.7 mt -97.87 142.84 29.12 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.691 0.796 . . . . 0.0 111.256 178.176 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.6 pp -128.92 156.73 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 125.852 1.661 . . . . 0.0 111.159 -177.679 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 53.9 mp0 -66.25 118.12 9.5 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.376 1.071 . . . . 0.0 111.853 178.416 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? . . . . . 0 N--CA 1.475 0.79 0 C-N-CA 124.075 0.95 . . . . 0.0 113.186 -176.555 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.808 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -130.33 136.84 49.53 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.226 1.81 . . . . 0.0 111.414 169.687 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.2 t -100.55 144.09 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 125.161 1.384 . . . . 0.0 110.469 -178.514 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.6 p -139.45 144.16 29.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 125.176 1.39 . . . . 0.0 111.535 172.131 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 pp . . . . . 0 N--CA 1.468 0.444 0 C-N-CA 124.579 1.152 . . . . 0.0 112.011 179.166 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 26.2 t . . . . . 0 N--CA 1.479 0.975 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -131.47 140.65 49.62 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.44 1.496 . . . . 0.0 110.712 178.33 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 31.5 mt -138.41 114.25 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.715 1.206 . . . . 0.0 109.926 -171.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.06 165.13 34.28 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.394 0.997 . . . . 0.0 114.577 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 56.26 38.13 29.5 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.001 1.72 . . . . 0.0 115.396 170.608 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.5 p -76.36 134.05 29.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.182 0.993 . . . . 0.0 111.666 -178.676 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.2 mt -91.67 -30.26 16.41 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.143 1.377 . . . . 0.0 113.178 173.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -158.85 145.23 16.95 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.929 0.891 . . . . 0.0 112.254 -175.551 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.0 m -133.94 148.55 30.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 125.189 1.396 . . . . 0.0 110.674 167.226 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.48 137.33 35.44 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.814 1.246 . . . . 0.0 111.492 175.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.501 0 C-N-CA 125.916 1.686 . . . . 0.0 109.275 171.445 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.792 0 N-CA-C 111.251 0.093 . . . . 0.0 111.251 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.9 t -116.81 131.55 69.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 122.975 0.51 . . . . 0.0 111.768 166.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 -105.34 149.28 26.2 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 126.172 1.789 . . . . 0.0 111.37 170.34 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.4 m -137.21 151.3 26.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 125.434 1.494 . . . . 0.0 111.325 178.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 84.9 m -134.56 130.61 36.81 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 125.493 1.517 . . . . 0.0 112.029 -177.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 36.6 p -104.23 167.3 9.84 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 125.026 1.33 . . . . 0.0 112.982 179.327 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -63.46 -13.16 37.59 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 174.113 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -79.45 3.2 19.22 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.485 1.114 . . . . 0.0 113.331 174.444 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 60.95 11.24 3.2 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 127.162 2.185 . . . . 0.0 113.942 -165.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -80.98 143.82 32.28 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.677 1.191 . . . . 0.0 111.592 173.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -125.68 152.27 45.47 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.785 1.234 . . . . 0.0 112.584 174.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -134.64 155.9 49.68 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.425 1.49 . . . . 0.0 110.415 173.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.47 142.05 33.65 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.482 1.113 . . . . 0.0 111.948 -175.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -137.83 94.17 11.71 Favored Pre-proline 0 CA--C 1.544 0.723 0 C-N-CA 124.899 1.28 . . . . 0.0 111.359 -169.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -62.73 145.51 94.96 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 123.537 2.824 . . . . 0.0 113.808 177.345 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.71 5.04 86.97 Favored Glycine 0 CA--C 1.535 1.33 0 C-N-CA 125.015 1.293 . . . . 0.0 114.594 175.656 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 66.2 mt -107.7 161.88 14.49 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.232 1.413 . . . . 0.0 113.218 178.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.57 161.25 38.19 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.222 1.809 . . . . 0.0 110.544 164.071 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.3 mt -74.11 119.09 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 175.076 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -98.4 -34.58 5.26 Favored Glycine 0 CA--C 1.529 0.957 0 C-N-CA 124.174 0.892 . . . . 0.0 115.106 -177.248 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 39.4 ttp85 -157.03 143.82 18.42 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 118.656 1.228 . . . . 0.0 111.231 -174.59 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 42.7 t -132.81 125.7 52.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 124.936 1.294 . . . . 0.0 108.465 176.264 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -134.49 97.36 3.79 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.545 1.138 . . . . 0.0 110.857 -168.629 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -75.5 -7.3 53.79 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.351 1.46 . . . . 0.0 113.628 -169.358 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 66.7 mtt85 -63.61 -28.36 69.87 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.568 1.147 . . . . 0.0 112.708 173.103 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.2 t -132.4 4.16 3.97 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.84 1.656 . . . . 0.0 112.492 176.055 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 64.53 33.6 87.66 Favored Glycine 0 CA--C 1.535 1.329 0 O-C-N 120.675 -1.266 . . . . 0.0 113.526 -176.112 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.7 t -85.89 130.9 35.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 CA-C-N 118.28 1.04 . . . . 0.0 111.026 -178.149 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 88.0 mt -113.28 118.33 57.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 125.981 1.713 . . . . 0.0 107.657 169.149 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.0 t -116.49 125.42 51.92 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.498 1.119 . . . . 0.0 111.928 -174.144 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.4 mp -104.26 150.59 24.28 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.665 1.586 . . . . 0.0 111.205 -178.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.05 165.02 33.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.202 1.401 . . . . 0.0 111.363 178.115 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -68.02 118.1 10.75 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.552 0.741 . . . . 0.0 110.402 173.281 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? . . . . . 0 CA--C 1.549 0.933 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -175.255 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 3.5 mpp? . . . . . 0 N--CA 1.47 0.564 0 CA-C-O 121.571 0.701 . . . . 0.0 112.079 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.97 170.31 16.42 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 124.612 1.165 . . . . 0.0 113.33 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -121.52 129.4 52.88 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.83 1.252 . . . . 0.0 110.725 161.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 74.4 t -99.73 143.3 13.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.861 1.264 . . . . 0.0 110.086 -178.111 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.9 p -134.5 143.82 36.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.174 1.39 . . . . 0.0 111.366 171.258 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 pp -147.86 157.01 43.31 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.278 1.431 . . . . 0.0 112.304 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 16.7 m -112.58 131.51 55.58 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.932 1.293 . . . . 0.0 110.795 175.119 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 38.3 mtmt -79.84 161.82 25.42 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.457 1.503 . . . . 0.0 112.28 177.365 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.42 -21.74 64.39 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 123.471 0.709 . . . . 0.0 112.872 166.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -69.38 -11.26 60.67 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.166 1.386 . . . . 0.0 114.153 171.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.0 -9.93 54.91 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 125.22 1.39 . . . . 0.0 114.848 -171.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.04 167.75 54.45 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.514 1.054 . . . . 0.0 112.804 170.164 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -127.47 152.94 46.92 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.227 1.411 . . . . 0.0 113.225 -178.247 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 95.1 t -133.2 142.02 43.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 126.165 1.786 . . . . 0.0 109.728 -177.14 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -130.03 149.62 51.67 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.137 1.375 . . . . 0.0 112.127 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 25.1 mt -137.15 122.66 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 125.52 1.528 . . . . 0.0 109.401 -178.253 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -94.74 168.14 27.51 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 124.464 1.031 . . . . 0.0 114.232 176.531 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 56.41 35.87 26.61 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 125.877 1.671 . . . . 0.0 114.119 173.366 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 72.8 t -75.72 119.01 22.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 125.555 1.542 . . . . 0.0 111.944 -175.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 58.1 mt -79.22 -35.16 42.09 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.667 1.187 . . . . 0.0 112.709 169.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 72.5 tt0 -156.45 147.33 21.95 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 119.182 0.901 . . . . 0.0 113.037 -169.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 46.9 t -134.41 138.62 49.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 125.805 1.642 . . . . 0.0 109.789 174.167 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 37.8 mtt85 -139.36 128.63 24.03 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.529 1.132 . . . . 0.0 110.865 -171.069 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.615 0 C-N-CA 124.639 1.175 . . . . 0.0 110.421 171.951 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.536 0 CA-C-O 120.473 0.177 . . . . 0.0 111.271 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 92.8 t -111.44 142.31 24.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 123.817 0.847 . . . . 0.0 111.342 169.267 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 58.5 mtt85 -127.74 150.47 49.78 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 126.259 1.823 . . . . 0.0 110.387 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 21.9 t -136.77 144.0 33.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 124.67 1.188 . . . . 0.0 110.957 -172.673 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 85.0 m -131.4 134.47 46.29 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 124.463 1.105 . . . . 0.0 111.484 176.301 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 30.8 p -107.14 166.98 10.22 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.656 1.582 . . . . 0.0 112.51 178.512 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.21 -7.84 26.95 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 115.151 1.538 . . . . 0.0 115.151 174.7 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -79.4 0.52 28.92 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.473 1.109 . . . . 0.0 112.848 169.256 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 26.5 t0 59.34 22.75 11.16 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.144 1.778 . . . . 0.0 113.416 -168.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -84.5 141.82 30.48 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.871 1.268 . . . . 0.0 110.773 172.615 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -122.38 150.03 42.98 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.083 1.353 . . . . 0.0 112.367 -175.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -136.67 155.49 49.81 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.584 1.553 . . . . 0.0 111.156 -179.112 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.82 138.36 27.01 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.208 1.403 . . . . 0.0 112.108 177.199 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -139.63 90.62 11.12 Favored Pre-proline 0 CA--C 1.542 0.636 0 C-N-CA 125.92 1.688 . . . . 0.0 110.925 -172.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -67.46 146.23 73.78 Favored 'Trans proline' 0 CA--C 1.535 0.561 0 C-N-CA 123.061 2.507 . . . . 0.0 112.136 177.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.01 0.72 88.98 Favored Glycine 0 CA--C 1.538 1.493 0 C-N-CA 124.928 1.251 . . . . 0.0 114.853 -178.262 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 36.4 mt -100.77 162.43 12.91 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.082 1.441 . . . . 0.0 113.743 177.714 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.52 157.32 45.67 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 127.673 2.389 . . . . 0.0 109.786 165.542 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 42.6 mt -72.31 118.05 16.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 O-C-N 121.046 -1.034 . . . . 0.0 109.279 176.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -98.01 -35.7 4.98 Favored Glycine 0 CA--C 1.533 1.166 0 CA-C-O 119.382 -0.677 . . . . 0.0 114.512 -173.333 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 46.7 ttt-85 -158.44 148.95 20.18 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 118.186 0.993 . . . . 0.0 111.964 -173.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 10.9 t -131.57 131.53 62.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.584 1.153 . . . . 0.0 109.466 165.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -123.42 111.06 15.89 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 125.718 1.607 . . . . 0.0 109.675 176.502 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -81.77 -14.62 56.19 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.541 1.137 . . . . 0.0 113.314 -174.586 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 38.2 mtm180 -67.36 -38.17 84.36 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.821 1.248 . . . . 0.0 111.621 175.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 12.2 t -106.42 -12.89 15.51 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.022 1.329 . . . . 0.0 114.005 172.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.26 27.32 66.23 Favored Glycine 0 CA--C 1.538 1.493 0 O-C-N 120.71 -1.244 . . . . 0.0 113.98 -172.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 54.8 t -87.22 138.57 18.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 125.446 1.498 . . . . 0.0 111.494 -177.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 87.8 mt -118.07 126.3 74.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 C-N-CA 125.968 1.707 . . . . 0.0 108.06 165.352 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 16.4 m -111.9 128.02 56.02 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.338 0.655 . . . . 0.0 110.705 176.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 27.1 mt -100.34 146.43 26.96 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 124.713 1.205 . . . . 0.0 111.409 174.278 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -133.53 156.66 41.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 125.46 1.504 . . . . 0.0 110.719 -177.405 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 13.0 mp0 -66.65 131.22 45.51 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.321 -0.862 . . . . 0.0 110.948 175.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.78 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 -163.396 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.912 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -131.58 148.32 52.6 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.432 1.893 . . . . 0.0 111.487 163.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.8 t -99.38 146.01 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.264 1.025 . . . . 0.0 110.424 175.158 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.2 p -140.95 141.76 31.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 124.846 1.258 . . . . 0.0 112.381 178.08 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 pp . . . . . 0 N--CA 1.474 0.739 0 C-N-CA 125.795 1.638 . . . . 0.0 112.842 -178.068 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.5 t . . . . . 0 N--CA 1.47 0.555 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.2 mp0 -125.7 142.58 51.44 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 124.913 1.285 . . . . 0.0 110.944 175.642 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -126.94 96.08 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 125.412 1.485 . . . . 0.0 109.194 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.27 163.01 44.56 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 124.16 0.886 . . . . 0.0 113.843 178.315 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 53.14 40.99 32.13 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.072 1.349 . . . . 0.0 112.778 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.5 p -71.4 136.65 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 124.048 0.939 . . . . 0.0 111.46 179.046 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 33.4 mt -101.2 -31.11 11.17 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.797 0.839 . . . . 0.0 112.738 174.624 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -154.16 143.31 21.26 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.318 1.047 . . . . 0.0 112.405 -177.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.2 t -136.21 142.2 39.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 126.478 1.911 . . . . 0.0 109.897 174.401 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -135.64 138.69 43.12 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.83 1.652 . . . . 0.0 111.272 174.214 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.577 0 C-N-CA 124.779 1.232 . . . . 0.0 109.621 161.848 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.516 0 N-CA-C 112.789 0.662 . . . . 0.0 112.789 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 56.7 t -94.4 142.54 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.318 0.647 . . . . 0.0 109.865 155.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 51.5 mtt85 -129.11 143.94 51.03 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.961 1.704 . . . . 0.0 110.965 173.563 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -152.55 141.76 14.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 124.294 1.038 . . . . 0.0 112.509 -169.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.4 m -127.05 139.14 53.22 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.471 1.508 . . . . 0.0 111.732 -177.012 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 34.0 p -109.01 167.46 10.08 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.443 1.497 . . . . 0.0 114.331 -171.567 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.0 tt -55.16 -28.71 54.78 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.77 2.028 . . . . 0.0 113.373 171.034 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -80.05 6.73 10.7 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.183 1.393 . . . . 0.0 113.731 178.602 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 61.32 11.25 3.52 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 127.251 2.221 . . . . 0.0 114.661 -170.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -81.86 146.14 30.01 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.496 1.119 . . . . 0.0 111.07 172.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -135.3 137.36 42.4 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.016 1.726 . . . . 0.0 111.152 -174.243 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -128.33 152.13 48.51 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 125.689 1.596 . . . . 0.0 111.53 -171.483 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -130.4 139.71 50.61 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 125.133 1.373 . . . . 0.0 111.764 172.121 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -133.35 91.63 26.6 Favored Pre-proline 0 CA--C 1.543 0.698 0 C-N-CA 125.701 1.601 . . . . 0.0 110.491 -176.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -66.4 148.18 83.78 Favored 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 123.494 2.796 . . . . 0.0 113.069 -176.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.17 -1.14 76.89 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 125.978 1.752 . . . . 0.0 115.397 -178.323 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 34.9 mt -96.87 162.64 13.32 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 119.379 1.59 . . . . 0.0 113.832 178.664 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.03 160.47 39.87 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 127.883 2.473 . . . . 0.0 110.448 164.195 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.5 mt -72.14 118.03 16.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 O-C-N 121.321 -0.862 . . . . 0.0 109.036 175.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.47 -42.4 4.24 Favored Glycine 0 CA--C 1.53 1.016 0 C-N-CA 123.848 0.737 . . . . 0.0 113.848 -175.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -156.52 147.8 22.32 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.631 1.172 . . . . 0.0 112.148 -174.31 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 39.1 t -131.52 114.74 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 125.956 1.702 . . . . 0.0 109.202 174.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -98.14 107.57 20.07 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 125.074 1.35 . . . . 0.0 110.496 174.114 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -76.42 -20.66 56.87 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 121.767 -0.583 . . . . 0.0 111.531 173.443 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 70.1 mtm180 -66.56 -22.79 66.15 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 125.082 1.353 . . . . 0.0 113.896 174.742 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 96.2 p -133.3 -9.52 2.92 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 -177.135 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.39 42.04 43.11 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 124.251 0.929 . . . . 0.0 113.411 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.5 t -122.0 126.64 74.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 CA-C-N 118.343 1.071 . . . . 0.0 111.752 -176.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 98.9 mt -104.11 109.91 28.72 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 126.369 1.867 . . . . 0.0 108.186 171.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.6 t -98.15 125.64 43.26 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.511 1.124 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 25.2 mt -96.93 151.09 20.03 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.11 0.964 . . . . 0.0 111.693 176.314 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -133.66 155.02 39.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 126.188 1.795 . . . . 0.0 110.685 179.319 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.5 mp0 -67.78 124.25 22.79 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.575 0.75 . . . . 0.0 110.204 173.126 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.675 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 -168.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 5.0 mpp? . . . . . 0 N--CA 1.471 0.615 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.47 -170.97 0.72 Allowed 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.239 1.416 . . . . 0.0 112.652 168.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -141.06 152.84 45.15 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.428 1.891 . . . . 0.0 111.731 168.649 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 14.9 t -104.76 146.68 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 124.908 1.283 . . . . 0.0 110.953 176.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 8.6 p -139.01 144.92 28.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 125.569 1.548 . . . . 0.0 112.447 173.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 pp -143.85 158.65 43.54 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.161 1.784 . . . . 0.0 110.369 169.353 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 26.1 m -122.14 130.66 53.43 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.17 0.988 . . . . 0.0 111.27 177.592 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -81.57 161.92 23.35 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.314 1.846 . . . . 0.0 112.314 -178.345 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.99 -24.58 67.12 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.057 0.943 . . . . 0.0 113.405 173.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -74.07 -5.83 43.94 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.522 1.529 . . . . 0.0 114.178 172.249 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.61 -3.93 86.46 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.708 1.623 . . . . 0.0 115.607 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -84.22 151.08 26.68 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 124.697 1.142 . . . . 0.0 112.222 172.195 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 86.2 mtm-85 -96.83 160.1 14.55 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 117.895 0.847 . . . . 0.0 112.849 176.707 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 62.2 t -127.16 135.54 63.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.812 1.645 . . . . 0.0 108.431 165.235 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -137.76 144.86 41.82 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.608 1.163 . . . . 0.0 112.078 -171.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -132.57 108.52 13.49 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 125.134 1.374 . . . . 0.0 110.239 -175.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.37 167.29 42.92 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 124.24 0.924 . . . . 0.0 113.605 174.134 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 55.44 35.88 25.97 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.205 1.402 . . . . 0.0 114.174 175.322 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 11.3 p -75.16 134.28 29.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 124.465 1.106 . . . . 0.0 112.245 -176.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 75.9 mt -97.09 -29.89 13.36 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.257 1.423 . . . . 0.0 112.468 176.096 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -159.36 139.07 11.62 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.06 0.944 . . . . 0.0 111.986 -168.539 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 9.0 t -139.73 137.54 39.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 125.606 1.562 . . . . 0.0 109.996 176.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 4.4 ptt85 -153.22 141.89 20.94 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.366 1.066 . . . . 0.0 112.801 -172.588 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.551 0 C-N-CA 125.128 1.371 . . . . 0.0 110.15 176.436 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.498 0 CA-C-O 120.54 0.21 . . . . 0.0 111.336 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 92.0 t -115.0 139.88 39.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 123.867 0.867 . . . . 0.0 110.662 165.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -118.93 144.15 46.6 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.683 1.993 . . . . 0.0 110.56 173.044 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -145.81 134.28 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 124.249 1.02 . . . . 0.0 111.244 -176.278 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 5.2 m -127.29 134.79 49.99 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.501 1.121 . . . . 0.0 112.234 -168.584 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 36.2 p -106.71 167.31 9.95 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 125.552 1.541 . . . . 0.0 113.448 -175.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.65 -7.16 24.49 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 115.373 1.62 . . . . 0.0 115.373 172.305 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -79.24 1.1 25.94 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.172 0.989 . . . . 0.0 112.822 170.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 26.7 t0 59.15 19.11 7.07 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.513 1.925 . . . . 0.0 113.683 -166.029 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -88.76 135.66 33.4 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.203 1.401 . . . . 0.0 110.356 172.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -124.35 134.17 53.23 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.738 1.215 . . . . 0.0 111.335 -179.383 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -108.17 151.1 26.37 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 127.16 2.184 . . . . 0.0 110.665 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -139.84 137.75 35.18 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.386 1.074 . . . . 0.0 111.699 177.591 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -137.25 91.93 14.16 Favored Pre-proline 0 CA--C 1.54 0.579 0 C-N-CA 125.338 1.455 . . . . 0.0 110.693 -172.454 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -69.39 145.88 60.74 Favored 'Trans proline' 0 CA--C 1.535 0.553 0 C-N-CA 123.263 2.642 . . . . 0.0 112.872 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.11 -1.11 89.15 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 125.183 1.373 . . . . 0.0 115.382 -176.362 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 24.6 mt -98.36 163.99 12.47 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 118.77 1.285 . . . . 0.0 113.777 178.452 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.88 159.41 42.23 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 128.266 2.626 . . . . 0.0 109.925 163.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 52.9 mt -71.74 116.3 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 175.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.09 -39.75 3.95 Favored Glycine 0 CA--C 1.53 1.018 0 C-N-CA 124.53 1.062 . . . . 0.0 114.921 -172.139 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -155.32 150.77 27.19 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.554 1.142 . . . . 0.0 111.765 -174.572 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 33.5 t -140.14 132.44 33.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 125.523 1.529 . . . . 0.0 109.783 175.135 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.09 115.09 19.94 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.337 1.055 . . . . 0.0 110.756 173.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -80.12 -23.2 41.36 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.812 1.245 . . . . 0.0 112.583 -177.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -65.71 -41.41 92.32 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.527 1.131 . . . . 0.0 112.254 171.447 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 18.4 t -88.76 -25.37 22.32 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.176 0.99 . . . . 0.0 113.403 177.141 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.75 48.99 11.21 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 124.325 0.964 . . . . 0.0 112.463 -174.027 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 9.6 p -136.13 144.02 34.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.797 0.839 . . . . 0.0 113.112 -173.443 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 97.7 mt -116.58 132.93 64.8 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 127.546 2.339 . . . . 0.0 107.835 172.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 36.4 t -125.36 126.38 44.95 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.968 1.307 . . . . 0.0 111.404 -176.033 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 22.1 mt -99.85 149.31 23.52 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.867 1.267 . . . . 0.0 111.86 -177.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -132.54 154.24 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 125.812 1.645 . . . . 0.0 110.842 179.418 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -69.32 125.28 26.21 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.874 -0.517 . . . . 0.0 110.85 172.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? . . . . . 0 CA--C 1.544 0.731 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -175.97 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.567 0 CA-C-O 121.834 0.826 . . . . 0.0 113.043 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 72.1 tttt -91.57 127.68 37.11 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.186 0.995 . . . . 0.0 108.953 156.095 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.3 t -104.91 138.11 31.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.807 0.843 . . . . 0.0 109.994 171.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.8 p -134.4 139.94 46.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 125.023 1.329 . . . . 0.0 111.683 178.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 pp . . . . . 0 CA--C 1.538 0.498 0 C-N-CA 125.993 1.717 . . . . 0.0 111.335 179.697 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 91.8 t . . . . . 0 N--CA 1.472 0.671 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -130.97 131.02 44.13 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.391 1.476 . . . . 0.0 110.127 -176.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.9 mt -132.22 109.97 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 125.028 1.331 . . . . 0.0 109.807 -168.118 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.29 163.22 40.94 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 124.021 0.82 . . . . 0.0 113.662 176.345 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 55.48 38.73 30.66 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.806 1.642 . . . . 0.0 114.772 172.672 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 80.2 t -75.3 118.96 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.436 1.094 . . . . 0.0 110.766 174.665 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 50.7 mt -74.54 -38.3 62.78 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.206 1.402 . . . . 0.0 112.206 175.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -153.59 144.53 22.78 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.797 1.239 . . . . 0.0 111.249 -179.108 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.7 p -133.25 137.34 53.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 126.186 1.795 . . . . 0.0 110.451 175.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -133.33 138.06 46.2 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.749 1.619 . . . . 0.0 111.859 -175.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.64 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 163.188 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.577 0 CA-C-O 119.958 -0.068 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.2 t -91.99 137.96 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 O-C-N 121.989 -0.444 . . . . 0.0 110.631 163.338 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.2 mtt180 -131.7 139.86 49.14 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 126.065 1.746 . . . . 0.0 110.3 -171.089 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.1 m -131.23 150.23 34.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 124.749 1.219 . . . . 0.0 112.587 -174.404 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 58.4 m -125.17 126.88 45.95 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.785 1.234 . . . . 0.0 110.117 168.548 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 43.6 p -96.06 160.49 14.42 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.322 1.049 . . . . 0.0 113.273 -178.757 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.7 tt -52.58 -29.19 24.42 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.205 1.802 . . . . 0.0 113.359 166.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -77.72 5.56 9.12 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.36 1.464 . . . . 0.0 113.909 176.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.315 2.0 p30 59.3 10.89 1.92 Allowed 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 129.095 2.958 . . . . 0.0 115.244 -172.465 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -79.61 145.11 33.24 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.8 1.24 . . . . 0.0 111.18 169.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -127.02 148.69 50.11 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.256 1.422 . . . . 0.0 112.146 178.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -142.01 158.26 43.98 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.533 1.533 . . . . 0.0 111.013 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -143.56 143.84 31.69 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.166 1.386 . . . . 0.0 112.265 177.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -136.83 94.96 12.57 Favored Pre-proline 0 CA--C 1.545 0.758 0 C-N-CA 125.935 1.694 . . . . 0.0 111.084 -168.708 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_exo -61.93 147.44 95.18 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 123.8 3.0 . . . . 0.0 114.418 -179.244 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.17 4.14 90.32 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 125.11 1.338 . . . . 0.0 114.776 176.481 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.2 mt -103.2 162.53 12.9 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.452 1.101 . . . . 0.0 113.347 178.018 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.89 158.1 44.63 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 127.767 2.427 . . . . 0.0 109.901 165.667 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 59.5 mt -69.64 118.48 14.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 O-C-N 121.087 -1.008 . . . . 0.0 109.134 178.415 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.56 -61.17 1.39 Allowed Glycine 0 N--CA 1.469 0.889 0 C-N-CA 124.574 1.083 . . . . 0.0 113.653 -171.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -148.25 157.34 43.43 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 179.095 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 18.4 t -128.35 127.49 67.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 126.893 2.077 . . . . 0.0 108.995 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -124.46 92.54 3.68 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.88 1.272 . . . . 0.0 110.895 -178.664 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -70.56 -10.14 58.51 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 121.265 -0.897 . . . . 0.0 113.082 -177.327 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.7 mtm-85 -60.35 -27.39 67.33 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 125.948 1.699 . . . . 0.0 113.104 167.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.0 m -135.33 -7.06 2.27 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.057 1.343 . . . . 0.0 113.965 -176.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.49 21.72 79.33 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 124.284 0.945 . . . . 0.0 114.041 -176.368 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 47.7 t -96.73 138.87 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.701 1.2 . . . . 0.0 111.23 -178.033 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 63.8 mt -119.13 119.68 61.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 C-N-CA 127.506 2.323 . . . . 0.0 108.542 174.345 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.0 t -102.37 130.34 49.09 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.975 0.91 . . . . 0.0 111.522 177.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.8 mt -98.66 148.86 23.4 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.039 1.336 . . . . 0.0 111.617 176.212 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -135.32 163.16 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 126.007 1.723 . . . . 0.0 110.623 -178.5 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.3 mp0 -64.46 137.41 57.86 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.565 -0.71 . . . . 0.0 110.941 176.339 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? . . . . . 0 N--CA 1.478 0.948 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 -175.82 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 2.8 mpp? . . . . . 0 CA--C 1.54 0.587 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -157.8 165.38 35.46 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 124.977 1.311 . . . . 0.0 111.333 165.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -134.19 133.43 40.93 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.494 1.118 . . . . 0.0 111.801 169.18 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 49.8 t -98.54 145.72 9.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.972 1.309 . . . . 0.0 110.642 -179.053 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 8.8 p -138.63 140.97 38.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 125.397 1.479 . . . . 0.0 111.585 174.024 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -148.33 160.91 42.52 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.384 1.474 . . . . 0.0 112.272 176.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 23.6 m -114.52 131.69 56.56 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.218 1.407 . . . . 0.0 111.026 176.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -80.43 164.04 23.36 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.029 1.732 . . . . 0.0 112.555 178.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.49 -25.66 68.09 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.292 1.037 . . . . 0.0 113.682 175.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 49.5 p30 -79.15 -0.05 30.2 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.764 1.226 . . . . 0.0 114.263 174.366 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.97 -5.25 83.48 Favored Glycine 0 CA--C 1.539 1.57 0 C-N-CA 125.747 1.641 . . . . 0.0 115.161 -178.318 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.44 167.83 54.81 Favored Glycine 0 CA--C 1.534 1.25 0 CA-C-N 119.253 1.526 . . . . 0.0 112.72 171.235 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -127.46 151.95 48.18 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.633 1.173 . . . . 0.0 113.226 -177.206 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 40.1 t -129.21 147.2 33.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 126.739 2.016 . . . . 0.0 109.098 -175.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -139.58 148.32 42.37 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.56 1.144 . . . . 0.0 112.056 177.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -132.24 123.14 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 125.167 1.387 . . . . 0.0 109.503 176.599 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.6 174.12 26.65 Favored Glycine 0 CA--C 1.538 1.497 0 C-N-CA 125.415 1.483 . . . . 0.0 113.457 173.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 56.22 32.44 20.29 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.008 1.323 . . . . 0.0 113.318 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 79.2 t -72.85 134.64 29.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 125.149 1.38 . . . . 0.0 110.927 -175.414 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 20.7 tp -117.82 -22.53 7.92 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.94 1.296 . . . . 0.0 113.181 -178.23 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -152.15 140.8 20.83 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.265 1.426 . . . . 0.0 111.47 178.432 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 17.9 t -142.09 143.0 27.15 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 C-N-CA 125.194 1.398 . . . . 0.0 109.858 171.489 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 1.9 ptt85 -152.62 143.76 23.13 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 176.265 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.447 0 C-N-CA 125.27 1.428 . . . . 0.0 108.679 168.501 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.746 0 CA-C-O 120.641 0.258 . . . . 0.0 110.796 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 79.7 t -115.38 138.33 46.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 123.694 0.798 . . . . 0.0 111.193 165.549 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -113.89 144.02 43.72 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 126.487 1.915 . . . . 0.0 109.765 169.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -146.85 138.41 18.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 124.437 1.095 . . . . 0.0 110.92 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 4.4 m -131.07 134.23 46.42 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.597 1.159 . . . . 0.0 111.159 -176.414 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 24.6 p -81.22 166.67 20.37 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.384 1.074 . . . . 0.0 112.053 174.512 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 pp -66.87 -10.07 44.4 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 114.536 1.309 . . . . 0.0 114.536 171.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -85.66 5.8 30.37 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.785 1.234 . . . . 0.0 112.96 169.253 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 62.77 17.17 9.64 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.638 1.975 . . . . 0.0 114.706 -173.058 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -79.49 125.83 30.07 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.107 -0.996 . . . . 0.0 110.157 172.065 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -112.94 138.86 49.17 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.763 0.825 . . . . 0.0 112.663 -173.382 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 56.6 m-70 -126.28 152.03 46.7 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 127.162 2.185 . . . . 0.0 110.42 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.6 145.28 31.71 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.63 0.772 . . . . 0.0 112.555 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -138.85 97.48 8.94 Favored Pre-proline 0 CA--C 1.545 0.759 0 C-N-CA 125.366 1.467 . . . . 0.0 111.004 -171.505 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -61.47 147.46 95.41 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.623 2.882 . . . . 0.0 114.431 178.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.83 -4.15 58.23 Favored Glycine 0 CA--C 1.535 1.331 0 C-N-CA 125.002 1.287 . . . . 0.0 114.936 177.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 25.2 mt -90.71 163.14 14.61 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.112 1.456 . . . . 0.0 113.71 179.059 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.07 160.69 39.54 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 127.904 2.482 . . . . 0.0 110.197 163.305 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 48.6 mt -72.64 119.03 18.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 O-C-N 121.461 -0.775 . . . . 0.0 109.103 176.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -86.23 -44.72 5.84 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 124.587 1.089 . . . . 0.0 113.338 -177.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 28.4 ptt85 -157.84 155.73 30.21 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.632 1.173 . . . . 0.0 112.663 175.085 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 34.1 t -125.38 125.64 69.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 124.424 1.09 . . . . 0.0 108.638 170.104 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -127.21 83.46 2.17 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.111 1.364 . . . . 0.0 109.929 -166.428 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.415 HD22 ' H ' ' B' ' 53' ' ' LEU . 2.2 mm? -67.58 -16.42 64.17 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.696 1.598 . . . . 0.0 112.871 -170.025 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 22.2 mtp-105 -56.2 -26.98 52.95 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 126.103 1.761 . . . . 0.0 113.187 168.059 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 39.9 m -133.68 3.99 3.58 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.873 1.669 . . . . 0.0 114.171 179.313 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 67.15 17.55 68.13 Favored Glycine 0 CA--C 1.54 1.652 0 C-N-CA 124.806 1.193 . . . . 0.0 115.106 -176.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 71.1 t -85.93 134.67 26.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-N 118.285 1.042 . . . . 0.0 111.711 -173.236 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 96.7 mt -116.62 108.66 25.6 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 126.051 1.74 . . . . 0.0 107.779 169.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 26.7 t -97.85 129.0 44.84 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 121.287 -0.883 . . . . 0.0 111.457 -177.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 18.9 mt -108.34 146.23 33.29 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.341 1.057 . . . . 0.0 112.02 177.572 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -139.17 161.95 28.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 126.056 1.742 . . . . 0.0 110.759 -179.331 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -65.09 135.52 55.63 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.057 -1.027 . . . . 0.0 111.255 174.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? . . . . . 0 N--CA 1.475 0.787 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 -176.767 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.509 0 CA-C-O 119.471 -0.627 . . . . 0.0 111.575 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -60.39 160.84 22.12 Favored 'Trans proline' 0 CA--C 1.542 0.884 0 C-N-CA 124.537 3.491 . . . . 0.0 114.199 176.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -68.55 -10.89 61.35 Favored Glycine 0 CA--C 1.541 1.672 0 C-N-CA 124.749 1.166 . . . . 0.0 115.769 -178.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 12.4 t -149.89 -176.35 5.4 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.88 1.672 . . . . 0.0 110.616 178.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptm -140.94 138.33 33.75 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.651 1.18 . . . . 0.0 112.685 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 88.6 m -143.17 158.69 43.39 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 127.174 2.19 . . . . 0.0 110.823 178.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -70.0 170.96 10.27 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.837 0.855 . . . . 0.0 111.444 166.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.11 171.17 7.28 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-O 122.087 0.946 . . . . 0.0 113.458 178.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -133.02 144.93 50.39 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.8 1.64 . . . . 0.0 111.567 171.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 86.9 t -102.25 144.88 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 125.084 1.354 . . . . 0.0 110.95 176.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.0 p -136.51 141.07 42.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.803 1.641 . . . . 0.0 111.433 171.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp -151.48 160.3 43.78 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.054 1.342 . . . . 0.0 113.145 -177.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.9 m -114.21 132.4 56.13 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.538 1.535 . . . . 0.0 110.198 171.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.3 mtmt -80.99 162.75 23.71 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.498 1.519 . . . . 0.0 112.352 178.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.55 -20.58 64.81 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 123.666 0.786 . . . . 0.0 112.868 166.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -69.65 -11.27 60.71 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.59 1.556 . . . . 0.0 114.055 171.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.11 -9.5 57.02 Favored Glycine 0 CA--C 1.541 1.664 0 C-N-CA 125.704 1.621 . . . . 0.0 114.932 -172.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.76 168.47 54.27 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 124.963 1.268 . . . . 0.0 112.668 171.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -124.06 152.69 42.38 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.61 1.164 . . . . 0.0 113.378 -178.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 77.8 t -134.38 143.0 39.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 126.069 1.748 . . . . 0.0 110.25 -177.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -130.42 143.61 50.87 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.95 1.3 . . . . 0.0 110.96 175.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -130.45 114.01 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 124.809 1.244 . . . . 0.0 109.587 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.29 163.34 30.14 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 124.075 0.845 . . . . 0.0 113.853 178.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 54.82 41.77 31.66 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 126.068 1.747 . . . . 0.0 113.961 173.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.0 m -73.73 136.39 25.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 O-C-N 121.358 -0.839 . . . . 0.0 111.724 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.8 mt -90.97 -28.53 17.97 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.097 1.359 . . . . 0.0 112.015 173.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 64.3 tt0 -158.41 150.53 21.68 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.847 0.859 . . . . 0.0 112.567 178.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.2 t -134.65 138.1 50.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 126.631 1.972 . . . . 0.0 109.552 171.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -137.37 136.97 38.38 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 125.31 1.444 . . . . 0.0 111.726 -179.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.12 119.69 32.02 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.651 0.78 . . . . 0.0 109.09 165.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -157.32 131.98 8.64 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.885 0.874 . . . . 0.0 112.013 -170.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 64.5 26.43 70.8 Favored Glycine 0 N--CA 1.477 1.418 0 N-CA-C 115.73 1.052 . . . . 0.0 115.73 169.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.17 19.6 71.81 Favored Glycine 0 CA--C 1.536 1.392 0 CA-C-N 118.408 1.104 . . . . 0.0 114.162 -174.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.26 167.41 22.22 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.501 1.92 . . . . 0.0 111.421 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 88.7 t -109.39 128.3 65.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 O-C-N 121.746 -0.596 . . . . 0.0 110.662 163.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -99.57 147.01 25.8 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.862 1.665 . . . . 0.0 110.334 168.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -152.3 139.07 12.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 123.495 0.718 . . . . 0.0 111.694 175.54 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.0 m -126.07 145.58 50.27 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.053 1.341 . . . . 0.0 110.91 -171.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 43.5 p -122.32 164.98 16.97 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 125.089 1.356 . . . . 0.0 113.232 -172.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.09 -5.18 20.52 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 171.467 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -79.5 4.51 15.45 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.529 1.132 . . . . 0.0 112.858 170.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 60.83 14.06 4.89 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.803 2.041 . . . . 0.0 113.987 -167.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -89.33 146.14 24.9 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.935 1.294 . . . . 0.0 111.386 175.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.2 tt0 -132.11 132.47 43.31 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.891 1.277 . . . . 0.0 110.937 175.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -111.97 154.36 25.4 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 126.277 1.831 . . . . 0.0 111.269 -179.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -138.57 136.4 35.98 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.752 1.221 . . . . 0.0 111.526 173.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -132.06 92.55 29.11 Favored Pre-proline 0 C--O 1.239 0.534 0 C-N-CA 125.409 1.484 . . . . 0.0 110.281 -173.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -68.94 147.08 67.36 Favored 'Trans proline' 0 CA--C 1.54 0.817 0 C-N-CA 123.258 2.639 . . . . 0.0 112.876 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.37 6.91 85.55 Favored Glycine 0 CA--C 1.53 1.029 0 C-N-CA 125.018 1.294 . . . . 0.0 114.699 -178.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.6 mt -108.69 163.25 13.42 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.219 1.408 . . . . 0.0 113.106 178.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.09 160.57 39.63 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 127.375 2.27 . . . . 0.0 110.278 164.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 55.6 mt -72.58 116.43 14.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 O-C-N 121.583 -0.698 . . . . 0.0 109.265 174.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.49 -38.31 4.26 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 123.951 0.786 . . . . 0.0 114.436 -175.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -153.23 145.67 24.07 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.294 1.037 . . . . 0.0 111.703 -173.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 41.4 t -134.21 112.11 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 C-N-CA 125.514 1.526 . . . . 0.0 108.17 174.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -110.55 91.45 3.66 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.546 1.539 . . . . 0.0 110.896 -175.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -69.83 -12.12 61.38 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.109 1.364 . . . . 0.0 113.463 -173.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 59.6 mtt85 -61.86 -29.79 70.42 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.661 1.184 . . . . 0.0 112.233 171.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.8 m -129.74 -8.4 4.52 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.732 1.613 . . . . 0.0 114.017 -177.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.2 25.9 67.55 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 124.606 1.098 . . . . 0.0 114.234 -177.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.6 t -94.79 127.89 46.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 CA-C-N 118.362 1.081 . . . . 0.0 111.368 -177.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 92.5 mt -108.79 112.01 38.56 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 C-N-CA 126.347 1.859 . . . . 0.0 108.404 173.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.3 m -100.42 123.86 45.19 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.504 0.722 . . . . 0.0 110.879 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.9 mt -91.07 151.83 20.87 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.082 0.953 . . . . 0.0 111.134 173.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -131.92 151.5 35.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 125.583 1.553 . . . . 0.0 110.509 178.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.9 mp0 -69.37 127.87 34.57 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.783 0.833 . . . . 0.0 111.129 176.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.71 -21.6 55.08 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.673 0.789 . . . . 0.0 112.691 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -101.44 150.51 22.96 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.255 1.422 . . . . 0.0 111.653 166.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -122.18 7.96 9.73 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.921 1.288 . . . . 0.0 112.851 177.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 . . . . . 0 C--O 1.251 1.153 0 C-N-CA 125.628 1.571 . . . . 0.0 112.572 -179.72 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.465 0 CA-C-O 118.078 -1.401 . . . . 0.0 110.64 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -60.19 161.14 38.73 Favored 'Cis proline' 0 CA--C 1.542 0.921 0 CA-C-N 119.947 1.874 . . . . 0.0 114.958 1.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . 81.86 131.11 1.33 Allowed Glycine 0 CA--C 1.535 1.292 0 C-N-CA 124.64 1.114 . . . . 0.0 113.279 -169.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 23.2 t -161.49 152.21 17.94 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.876 1.67 . . . . 0.0 110.635 -176.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 88.3 mtp -66.0 154.27 39.9 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.691 0.796 . . . . 0.0 112.92 177.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 26.5 t -144.59 149.46 35.83 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.066 1.346 . . . . 0.0 111.209 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 5.4 mpp? -66.47 153.37 43.06 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.664 1.585 . . . . 0.0 114.09 -177.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.61 -179.82 5.52 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.404 1.481 . . . . 0.0 112.72 172.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -137.29 143.42 42.13 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.516 1.526 . . . . 0.0 111.752 168.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 89.4 t -100.86 145.82 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 125.369 1.468 . . . . 0.0 111.011 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 9.7 p -133.49 143.67 38.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 125.681 1.592 . . . . 0.0 111.8 168.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp -147.91 155.53 41.69 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.684 1.594 . . . . 0.0 112.284 177.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 22.0 m -110.3 132.05 54.52 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.77 1.228 . . . . 0.0 110.854 176.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -81.09 162.02 23.9 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.161 1.784 . . . . 0.0 112.493 178.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.76 -22.98 66.96 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.04 0.936 . . . . 0.0 113.509 173.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -74.94 -7.38 53.4 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.125 1.37 . . . . 0.0 114.067 173.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.13 -6.37 79.65 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 125.262 1.411 . . . . 0.0 114.931 -175.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.52 168.65 54.48 Favored Glycine 0 CA--C 1.533 1.211 0 CA-C-N 118.421 1.11 . . . . 0.0 112.553 169.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -127.82 153.23 46.84 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.675 1.19 . . . . 0.0 112.847 -178.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 75.6 t -134.15 142.05 42.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 126.095 1.758 . . . . 0.0 109.222 -177.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -129.03 149.79 50.7 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.793 1.237 . . . . 0.0 111.861 176.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -128.81 112.33 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 125.208 1.403 . . . . 0.0 108.337 174.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.29 154.9 26.71 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 124.019 0.819 . . . . 0.0 114.234 -176.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 52.15 48.14 23.3 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 126.177 1.791 . . . . 0.0 113.737 171.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 34.8 m -75.6 135.14 27.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 O-C-N 120.833 -1.167 . . . . 0.0 112.314 -176.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 92.1 mt -80.95 -31.16 35.04 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.69 1.196 . . . . 0.0 111.823 172.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -160.21 147.13 16.0 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.989 0.916 . . . . 0.0 112.923 -174.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t -134.29 138.86 49.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 126.042 1.737 . . . . 0.0 109.472 170.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -133.1 140.75 47.81 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 126.71 2.004 . . . . 0.0 110.458 -175.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.68 139.48 48.25 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.604 1.162 . . . . 0.0 111.154 167.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -123.87 20.11 9.26 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.862 1.265 . . . . 0.0 112.593 177.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.53 -55.48 3.73 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 126.363 1.935 . . . . 0.0 113.449 -178.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.8 -13.44 82.3 Favored Glycine 0 CA--C 1.535 1.331 0 C-N-CA 124.953 1.263 . . . . 0.0 114.754 176.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -160.66 165.09 31.17 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.884 1.274 . . . . 0.0 112.669 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -110.92 145.87 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 125.162 1.385 . . . . 0.0 110.825 161.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -130.26 148.86 52.14 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.1 1.76 . . . . 0.0 110.502 173.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -154.07 141.3 12.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 123.509 0.724 . . . . 0.0 112.696 -173.343 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 85.1 m -122.81 136.86 55.01 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.257 1.423 . . . . 0.0 112.04 -174.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 44.7 p -101.32 166.36 10.79 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.804 1.642 . . . . 0.0 113.525 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -64.52 -12.97 50.02 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 114.252 1.205 . . . . 0.0 114.252 171.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -79.44 2.76 20.68 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.227 1.411 . . . . 0.0 113.353 175.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.8 t0 60.14 23.81 13.1 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 126.149 1.78 . . . . 0.0 113.059 -167.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -99.73 136.12 40.13 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.495 1.518 . . . . 0.0 110.582 174.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -122.31 146.0 47.72 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.295 1.438 . . . . 0.0 111.696 -177.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -128.55 156.01 43.99 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 126.094 1.758 . . . . 0.0 111.109 -174.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.38 140.24 31.97 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.844 1.258 . . . . 0.0 111.814 178.094 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -139.21 92.19 10.82 Favored Pre-proline 0 CA--C 1.543 0.677 0 C-N-CA 125.744 1.618 . . . . 0.0 110.89 -173.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -62.23 148.6 92.95 Favored 'Trans proline' 0 CA--C 1.537 0.638 0 C-N-CA 123.599 2.866 . . . . 0.0 113.988 176.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.25 1.46 88.17 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 125.524 1.535 . . . . 0.0 114.783 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 54.5 mt -102.52 162.69 12.72 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 118.833 1.317 . . . . 0.0 112.995 177.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.26 158.95 43.21 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 128.153 2.581 . . . . 0.0 109.876 165.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 50.8 mt -70.66 118.91 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 O-C-N 121.233 -0.917 . . . . 0.0 109.503 177.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.31 -48.55 3.73 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 124.525 1.059 . . . . 0.0 113.31 -176.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -152.98 160.14 42.99 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.921 0.888 . . . . 0.0 113.309 179.109 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 25.9 t -131.49 110.19 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 126.408 1.883 . . . . 0.0 107.748 171.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -102.23 100.84 11.07 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.553 1.141 . . . . 0.0 111.098 179.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -75.28 -11.88 60.16 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.176 0.99 . . . . 0.0 113.543 -177.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 37.2 mtt85 -68.21 -27.11 66.1 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.19 0.996 . . . . 0.0 112.544 172.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 93.7 p -126.45 -15.53 5.6 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.622 1.569 . . . . 0.0 114.715 -177.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.13 15.05 79.59 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 124.842 1.21 . . . . 0.0 114.093 -174.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 89.1 t -88.9 123.57 41.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 CA-C-N 119.099 1.449 . . . . 0.0 111.683 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 97.5 mt -96.78 131.71 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 126.345 1.858 . . . . 0.0 107.6 163.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 8.4 t -122.23 133.29 54.71 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.522 0.601 . . . . 0.0 111.195 177.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 25.1 mt -98.85 149.64 22.7 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.74 1.216 . . . . 0.0 111.816 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -132.31 160.45 42.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 126.094 1.758 . . . . 0.0 110.854 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -70.68 133.22 46.45 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 121.714 -0.616 . . . . 0.0 111.635 176.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.8 -24.0 59.76 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 -173.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -110.81 147.44 34.49 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.395 1.478 . . . . 0.0 110.377 165.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -124.14 32.97 5.39 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.572 1.549 . . . . 0.0 111.318 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 . . . . . 0 C--O 1.252 1.226 0 C-N-CA 127.076 2.15 . . . . 0.0 112.832 -171.693 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.574 0 CA-C-O 119.784 -0.454 . . . . 0.0 112.076 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -75.52 -15.53 19.57 Favored 'Trans proline' 0 CA--C 1.545 1.069 0 C-N-CA 124.176 3.251 . . . . 0.0 114.479 -175.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 73.81 -168.11 54.22 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 124.228 0.918 . . . . 0.0 113.488 -175.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 28.8 t -67.28 139.95 57.32 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.396 1.078 . . . . 0.0 112.33 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ptm -70.36 156.03 39.86 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.15 0.98 . . . . 0.0 112.319 173.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 41.5 t -149.8 140.26 22.42 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.15 1.38 . . . . 0.0 109.802 174.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 33.8 mtm 48.68 -120.59 1.35 Allowed 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.813 1.645 . . . . 0.0 111.962 -173.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -143.17 169.49 17.51 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.737 1.215 . . . . 0.0 112.734 173.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -126.5 133.31 51.19 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 126.613 1.965 . . . . 0.0 111.055 171.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 18.5 t -100.0 143.08 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 126.063 1.745 . . . . 0.0 110.762 -174.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -137.29 141.11 40.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 125.361 1.464 . . . . 0.0 111.379 168.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -155.02 169.77 23.32 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.221 1.409 . . . . 0.0 112.724 -176.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.0 m -122.4 127.34 49.58 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.112 1.365 . . . . 0.0 109.77 167.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 35.3 mtmt -72.77 165.49 24.73 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.046 1.338 . . . . 0.0 112.327 179.323 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.14 -24.07 66.94 Favored 'General case' 0 CA--C 1.551 1.006 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 173.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.7 p30 -80.25 -1.76 42.11 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.926 1.29 . . . . 0.0 113.922 173.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.77 -6.0 84.11 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 125.798 1.666 . . . . 0.0 115.627 178.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.64 137.49 18.2 Favored Glycine 0 CA--C 1.534 1.262 0 CA-C-N 119.294 1.547 . . . . 0.0 112.485 175.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.2 mtm180 -84.13 152.62 24.19 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 117.975 0.888 . . . . 0.0 112.616 175.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.5 t -136.35 140.48 43.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.894 1.678 . . . . 0.0 110.106 178.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -132.46 135.5 46.09 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.951 1.7 . . . . 0.0 110.697 177.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.5 mt -137.33 123.45 27.38 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 C-N-CA 125.054 1.342 . . . . 0.0 110.126 -173.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -95.84 169.1 26.7 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.484 1.04 . . . . 0.0 113.753 176.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 54.61 39.03 30.94 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.646 1.578 . . . . 0.0 113.861 177.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 84.8 t -75.81 114.2 15.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 125.088 1.355 . . . . 0.0 110.529 -177.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 27.4 tp -84.65 -27.84 26.85 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 126.013 1.725 . . . . 0.0 112.729 -176.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -159.67 148.61 17.81 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.79 1.236 . . . . 0.0 112.675 175.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.5 m -132.81 147.09 31.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 125.222 1.409 . . . . 0.0 111.417 170.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -143.3 131.92 22.46 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.137 1.375 . . . . 0.0 111.934 175.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.18 147.81 27.82 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.006 0.922 . . . . 0.0 110.364 159.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -134.86 35.21 3.11 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.055 1.132 . . . . 0.0 114.055 -176.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.39 31.97 58.46 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 124.521 1.057 . . . . 0.0 114.674 170.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 156.75 -9.57 0.26 Allowed Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.985 1.278 . . . . 0.0 114.985 -176.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -150.65 163.82 37.6 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.402 1.881 . . . . 0.0 110.875 176.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 82.3 t -117.93 142.63 31.49 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 C-N-CA 123.982 0.913 . . . . 0.0 111.026 167.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -122.31 140.97 52.03 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 126.388 1.875 . . . . 0.0 110.025 174.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.5 m -137.48 140.2 42.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.16 0.984 . . . . 0.0 111.118 -177.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.3 m -129.62 131.93 46.61 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.501 1.121 . . . . 0.0 110.493 -174.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.4 p -97.1 161.0 14.02 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.464 1.106 . . . . 0.0 111.426 174.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.96 -3.86 14.48 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.928 1.455 . . . . 0.0 114.928 176.07 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -80.83 6.06 14.18 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.071 1.349 . . . . 0.0 113.588 171.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 62.72 10.44 4.2 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 127.0 2.12 . . . . 0.0 114.484 -169.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -80.9 133.3 35.53 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.438 1.095 . . . . 0.0 110.226 170.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -131.89 145.61 51.63 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.561 1.544 . . . . 0.0 110.877 -177.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -133.14 155.32 49.49 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.677 1.591 . . . . 0.0 111.395 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -138.54 137.42 37.03 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.719 1.208 . . . . 0.0 110.935 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -137.54 98.11 10.08 Favored Pre-proline 0 CA--C 1.545 0.787 0 C-N-CA 125.033 1.333 . . . . 0.0 110.926 -172.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -63.17 150.03 89.74 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 123.424 2.749 . . . . 0.0 114.142 175.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.5 8.0 81.34 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 125.121 1.343 . . . . 0.0 114.64 175.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.9 mt -117.89 162.03 18.79 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.181 1.392 . . . . 0.0 112.555 -176.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.1 159.19 42.72 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 127.724 2.409 . . . . 0.0 109.541 167.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 20.1 mt -71.86 123.88 27.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 O-C-N 121.05 -1.031 . . . . 0.0 108.961 177.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -103.64 -39.85 2.47 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 124.83 1.205 . . . . 0.0 114.453 -174.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -151.8 144.7 24.44 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 118.385 1.093 . . . . 0.0 111.792 -174.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.1 t -135.97 123.3 34.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 125.734 1.613 . . . . 0.0 109.345 175.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -131.35 100.64 5.24 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.349 1.06 . . . . 0.0 111.089 -174.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -75.42 -10.97 59.93 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.251 1.42 . . . . 0.0 113.146 -171.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -64.9 -25.83 68.06 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.858 1.263 . . . . 0.0 112.17 173.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.5 m -133.12 1.39 3.52 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.082 1.753 . . . . 0.0 113.465 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.08 23.94 76.0 Favored Glycine 0 CA--C 1.536 1.403 0 C-N-CA 125.077 1.322 . . . . 0.0 114.983 -177.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.7 t -86.36 135.0 26.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 CA-C-N 118.872 1.336 . . . . 0.0 111.823 -174.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 86.3 mt -117.0 130.99 71.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 127.113 2.165 . . . . 0.0 108.278 167.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.9 t -128.86 128.92 44.82 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.316 1.046 . . . . 0.0 111.166 -176.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.8 mp -96.41 151.25 19.73 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.695 1.198 . . . . 0.0 110.767 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -131.5 158.96 43.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 126.349 1.86 . . . . 0.0 110.642 177.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -67.59 133.4 49.35 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.447 -0.783 . . . . 0.0 111.588 177.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -74.42 -14.47 60.85 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 -169.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -136.37 138.86 42.03 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.168 1.787 . . . . 0.0 110.499 167.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -134.19 6.38 3.6 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 125.536 1.534 . . . . 0.0 113.419 -175.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.4 ptt85 . . . . . 0 C--O 1.252 1.201 0 C-N-CA 126.606 1.962 . . . . 0.0 113.711 178.287 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.67 0 CA-C-O 119.722 -0.488 . . . . 0.0 112.092 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -64.38 -26.73 63.17 Favored 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 124.122 3.214 . . . . 0.0 115.243 -176.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . 177.86 -140.87 4.91 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 124.938 1.256 . . . . 0.0 112.256 -178.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 34.6 t -66.44 -31.2 71.8 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.038 0.935 . . . . 0.0 112.717 173.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 5.0 ppp? -68.92 158.75 33.99 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.861 1.264 . . . . 0.0 113.198 176.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 27.9 p -155.23 162.28 40.95 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.206 1.402 . . . . 0.0 112.226 177.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -73.54 150.18 41.69 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.237 1.015 . . . . 0.0 112.118 174.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.18 171.87 13.79 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.784 1.234 . . . . 0.0 112.859 178.043 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -122.82 141.62 51.65 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.466 1.106 . . . . 0.0 111.372 160.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 24.1 t -98.55 141.99 15.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 125.547 1.539 . . . . 0.0 110.218 177.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.5 p -127.48 139.29 52.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 124.968 1.307 . . . . 0.0 111.285 168.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 pp -149.96 160.36 43.67 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.993 1.317 . . . . 0.0 112.887 -175.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 13.5 m -110.18 130.87 55.47 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.797 1.239 . . . . 0.0 109.724 172.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -77.1 163.48 26.58 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.271 1.428 . . . . 0.0 112.468 176.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.36 -25.12 65.62 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 171.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -76.03 -5.17 45.17 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.553 1.541 . . . . 0.0 114.168 172.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.83 -6.94 72.09 Favored Glycine 0 CA--C 1.539 1.563 0 C-N-CA 125.434 1.492 . . . . 0.0 115.691 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.55 162.78 53.42 Favored Glycine 0 CA--C 1.538 1.5 0 CA-C-N 118.499 1.149 . . . . 0.0 112.165 170.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -118.38 152.81 35.13 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.191 0.996 . . . . 0.0 113.32 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 99.8 t -135.99 141.94 40.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 125.755 1.622 . . . . 0.0 109.62 -174.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -123.29 142.51 50.87 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.807 1.243 . . . . 0.0 111.58 171.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 63.3 mt -134.01 107.63 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 125.325 1.45 . . . . 0.0 108.778 -174.301 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.0 178.05 53.68 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 123.98 0.8 . . . . 0.0 113.758 177.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 58.96 32.56 22.38 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 169.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 72.3 t -78.9 124.71 37.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 125.809 1.644 . . . . 0.0 112.354 -175.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 78.3 mt -84.4 -37.92 20.89 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.607 1.163 . . . . 0.0 112.274 170.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -156.11 148.99 24.1 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 118.929 0.786 . . . . 0.0 113.039 -171.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 38.9 t -135.33 135.93 51.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 126.508 1.923 . . . . 0.0 109.906 175.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -136.66 125.3 23.77 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.815 1.246 . . . . 0.0 111.165 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.67 126.85 37.94 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.631 1.172 . . . . 0.0 110.26 166.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -158.2 146.95 19.05 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.825 0.85 . . . . 0.0 112.767 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.89 -79.49 0.13 Allowed Glycine 0 CA--C 1.538 1.526 0 C-N-CA 125.539 1.543 . . . . 0.0 113.551 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -158.25 24.67 0.39 Allowed Glycine 0 CA--C 1.533 1.18 0 C-N-CA 127.04 2.257 . . . . 0.0 112.721 176.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.09 165.26 29.61 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.139 1.375 . . . . 0.0 112.524 -170.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 50.2 t -115.75 137.75 48.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 123.407 0.683 . . . . 0.0 110.74 164.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -116.99 150.82 37.95 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 126.034 1.734 . . . . 0.0 111.223 174.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.73 142.57 40.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 125.951 1.7 . . . . 0.0 110.907 -176.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 86.8 m -123.98 133.21 53.74 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.788 1.235 . . . . 0.0 110.302 173.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 40.2 p -104.26 164.6 11.61 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.934 1.293 . . . . 0.0 112.737 178.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 pp -64.27 -15.97 61.17 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 177.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -76.66 1.61 16.5 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.352 1.461 . . . . 0.0 113.642 172.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 24.6 t0 60.66 19.04 9.04 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 127.007 2.123 . . . . 0.0 113.84 -169.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -84.86 143.87 28.77 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 124.602 1.161 . . . . 0.0 110.513 170.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -122.32 148.36 45.13 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.802 1.241 . . . . 0.0 112.042 -178.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -134.08 154.37 51.22 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.146 1.378 . . . . 0.0 111.432 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -140.95 138.22 33.64 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.003 1.321 . . . . 0.0 112.188 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -139.05 92.27 10.96 Favored Pre-proline 0 CA--C 1.544 0.746 0 C-N-CA 125.51 1.524 . . . . 0.0 110.785 -173.165 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -69.66 149.7 67.84 Favored 'Trans proline' 0 CA--C 1.536 0.613 0 C-N-CA 123.08 2.52 . . . . 0.0 112.646 178.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.53 5.07 85.1 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 125.59 1.567 . . . . 0.0 114.684 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 76.8 mt -109.73 162.46 14.43 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.943 1.297 . . . . 0.0 113.605 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.5 159.08 42.94 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 127.774 2.43 . . . . 0.0 109.38 166.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 37.6 mt -73.91 121.97 26.07 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.848 0 O-C-N 121.246 -0.909 . . . . 0.0 108.952 178.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.91 -46.59 3.1 Favored Glycine 0 CA--C 1.53 1.031 0 C-N-CA 124.723 1.154 . . . . 0.0 114.405 -175.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 7.1 ptt-85 -157.64 164.27 37.39 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.405 1.082 . . . . 0.0 113.057 177.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 5.0 t -135.12 122.65 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 123.959 0.903 . . . . 0.0 110.033 169.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -100.84 88.08 3.48 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.164 1.385 . . . . 0.0 110.132 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -68.2 -10.3 53.39 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 120.911 -1.118 . . . . 0.0 112.887 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 48.3 mtm105 -59.47 -24.96 64.01 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 126.066 1.746 . . . . 0.0 113.637 164.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.1 t -136.63 -16.54 1.53 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.268 1.427 . . . . 0.0 114.072 -173.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.49 22.36 58.61 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 124.953 1.264 . . . . 0.0 113.995 -175.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 65.1 t -93.95 122.16 45.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 124.191 0.996 . . . . 0.0 111.374 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 86.1 mt -96.68 127.43 48.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 C-N-CA 125.74 1.616 . . . . 0.0 108.18 166.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 30.1 t -116.38 125.35 51.94 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.992 0.917 . . . . 0.0 111.486 -177.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.9 mp -101.28 145.97 28.16 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.33 1.452 . . . . 0.0 110.73 177.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -134.79 160.99 41.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 126.643 1.977 . . . . 0.0 110.493 -178.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 28.5 mp0 -65.6 131.44 46.38 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.247 -0.908 . . . . 0.0 111.995 178.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -70.47 -13.61 62.19 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -176.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -133.22 135.89 45.28 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.271 1.829 . . . . 0.0 109.342 162.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -85.59 4.75 34.77 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.479 1.289 . . . . 0.0 114.479 -172.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 17.9 ptm180 . . . . . 0 C--O 1.255 1.372 0 C-N-CA 126.294 1.838 . . . . 0.0 112.915 -179.077 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.515 0 N-CA-C 111.423 -0.671 . . . . 0.0 111.423 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -67.96 154.0 73.87 Favored 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 123.788 2.992 . . . . 0.0 112.411 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -86.06 -19.73 56.86 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 124.396 0.998 . . . . 0.0 114.374 177.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 33.8 t 63.36 154.78 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 127.421 2.288 . . . . 0.0 115.124 -174.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ptm -77.84 -10.5 59.59 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 167.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 64.6 m 61.69 163.42 0.08 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 127.986 2.515 . . . . 0.0 114.752 -174.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 5.6 mpp? -67.21 150.2 49.41 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.144 0.978 . . . . 0.0 113.317 -178.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.11 -172.32 2.71 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 125.095 1.358 . . . . 0.0 112.368 171.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -128.96 154.74 46.28 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.568 1.147 . . . . 0.0 111.548 161.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.2 t -100.74 146.45 9.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.316 1.046 . . . . 0.0 110.384 171.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.5 p -134.19 141.73 42.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 125.139 1.376 . . . . 0.0 111.456 170.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 pp -145.08 156.22 43.78 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.954 1.302 . . . . 0.0 112.177 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.7 m -111.21 130.66 55.58 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.888 1.275 . . . . 0.0 110.443 177.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -80.15 162.49 24.7 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 126.038 1.735 . . . . 0.0 112.049 178.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.23 -23.24 66.55 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.123 0.969 . . . . 0.0 113.167 173.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -75.37 -6.01 47.79 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.321 1.448 . . . . 0.0 113.86 172.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.84 -7.73 69.0 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 125.757 1.646 . . . . 0.0 114.967 -176.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.72 168.23 54.68 Favored Glycine 0 CA--C 1.538 1.471 0 CA-C-N 118.312 1.056 . . . . 0.0 112.815 170.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -127.34 152.64 47.2 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.178 0.991 . . . . 0.0 113.379 -176.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.0 t -131.93 141.86 44.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 126.488 1.915 . . . . 0.0 109.754 -178.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -128.09 147.67 50.54 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.25 1.42 . . . . 0.0 111.636 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.0 mt -131.56 101.95 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 125.261 1.424 . . . . 0.0 108.855 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.26 157.14 46.11 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 124.36 0.981 . . . . 0.0 113.711 -178.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 52.92 46.32 27.01 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 126.327 1.851 . . . . 0.0 114.128 173.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.0 p -73.81 135.34 27.74 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 124.995 1.318 . . . . 0.0 112.385 -177.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.4 mt -90.76 -39.62 12.29 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.747 1.219 . . . . 0.0 112.539 175.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 73.8 tt0 -154.23 146.38 23.73 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.759 -0.588 . . . . 0.0 112.061 -173.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.4 t -135.92 138.33 47.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 125.656 1.583 . . . . 0.0 110.297 175.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -134.54 137.05 43.49 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.297 1.439 . . . . 0.0 111.434 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -123.75 120.93 34.12 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.656 1.582 . . . . 0.0 110.668 176.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -156.95 141.08 16.39 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.55 1.14 . . . . 0.0 111.127 -176.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.5 21.49 57.59 Favored Glycine 0 CA--C 1.543 1.811 0 N-CA-C 115.189 0.836 . . . . 0.0 115.189 174.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.95 24.17 67.38 Favored Glycine 0 CA--C 1.538 1.48 0 C-N-CA 124.566 1.079 . . . . 0.0 114.708 -173.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.65 142.05 41.17 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 118.769 1.284 . . . . 0.0 112.145 175.01 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.8 t -106.85 137.6 36.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 123.469 0.708 . . . . 0.0 111.77 179.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -116.64 149.85 39.07 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.644 1.977 . . . . 0.0 110.211 175.132 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.7 t -139.48 142.05 33.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 125.222 1.409 . . . . 0.0 110.493 -174.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.4 m -129.87 135.59 48.55 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.098 1.359 . . . . 0.0 111.045 177.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.8 p -124.52 166.65 15.68 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.734 1.214 . . . . 0.0 113.269 -174.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -62.92 -14.08 42.39 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 115.606 1.706 . . . . 0.0 115.606 -177.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -79.61 5.67 12.54 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.964 1.306 . . . . 0.0 113.492 174.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.6 t0 60.02 26.28 15.59 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.982 2.113 . . . . 0.0 112.908 -168.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -93.87 153.32 18.32 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.185 1.394 . . . . 0.0 112.179 173.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -131.87 144.98 51.27 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 125.214 1.406 . . . . 0.0 111.581 177.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -137.1 152.15 49.69 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.923 1.689 . . . . 0.0 111.084 -173.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -145.85 141.28 27.73 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.855 0.862 . . . . 0.0 112.603 -178.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -141.11 94.12 7.91 Favored Pre-proline 0 CA--C 1.545 0.772 0 C-N-CA 126.109 1.764 . . . . 0.0 111.11 -170.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -63.07 151.71 83.34 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 123.48 2.787 . . . . 0.0 113.456 172.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.75 9.08 83.52 Favored Glycine 0 CA--C 1.53 1.029 0 C-N-CA 125.352 1.453 . . . . 0.0 115.051 177.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 72.5 mt -118.76 161.87 19.39 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.308 1.443 . . . . 0.0 113.561 -177.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -144.54 159.22 43.13 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 127.123 2.169 . . . . 0.0 109.753 166.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.0 mt -71.43 117.01 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 O-C-N 121.035 -1.04 . . . . 0.0 108.756 177.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.94 -35.88 8.78 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 125.308 1.432 . . . . 0.0 113.94 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -159.57 160.53 34.54 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 118.086 0.943 . . . . 0.0 112.191 170.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.1 t -128.72 124.08 60.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 124.067 0.947 . . . . 0.0 108.988 163.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -116.84 107.73 14.98 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.482 1.513 . . . . 0.0 110.333 -176.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -82.34 -12.28 58.07 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.778 1.231 . . . . 0.0 112.892 -174.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.4 mtm180 -72.29 -40.92 67.19 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.579 1.152 . . . . 0.0 110.836 175.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 80.4 p -96.23 -22.98 16.92 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.839 1.656 . . . . 0.0 113.811 176.142 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.9 41.75 14.03 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 124.594 1.092 . . . . 0.0 113.012 -176.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 76.7 t -125.76 130.16 72.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 124.629 1.172 . . . . 0.0 112.263 -173.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.8 mt -97.21 128.14 48.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 126.646 1.978 . . . . 0.0 107.884 166.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.0 t -119.46 128.54 54.1 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.831 0.852 . . . . 0.0 111.111 -177.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.4 mt -100.65 147.5 25.91 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.375 1.07 . . . . 0.0 111.96 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -133.28 161.02 42.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 126.639 1.976 . . . . 0.0 110.681 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -67.75 128.02 34.95 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 121.452 -0.78 . . . . 0.0 111.319 177.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -66.18 -27.76 68.25 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 -171.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -141.24 142.85 33.91 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.949 1.7 . . . . 0.0 110.452 169.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -146.29 11.49 1.17 Allowed 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 124.563 1.145 . . . . 0.0 113.826 -173.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 . . . . . 0 C--O 1.253 1.262 0 C-N-CA 126.463 1.905 . . . . 0.0 112.661 -175.766 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.374 0 CA-C-O 120.017 -0.324 . . . . 0.0 112.36 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -60.52 148.96 89.22 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 123.929 3.086 . . . . 0.0 114.132 -179.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -77.27 -22.58 70.42 Favored Glycine 0 CA--C 1.537 1.465 0 C-N-CA 123.579 0.609 . . . . 0.0 113.54 171.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 56.3 p -76.96 145.66 38.0 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.426 1.49 . . . . 0.0 113.124 176.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 59.0 mtp 62.86 167.03 0.13 Allowed 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 127.441 2.296 . . . . 0.0 116.05 174.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 26.9 p -156.39 172.78 17.91 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.834 1.654 . . . . 0.0 111.695 -174.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -61.8 165.35 5.33 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.961 1.305 . . . . 0.0 112.87 175.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.39 161.21 28.05 Favored 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 -159.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.79 127.82 53.89 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 125.125 1.37 . . . . 0.0 110.272 165.393 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 79.2 t -101.16 139.57 22.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 125.562 1.545 . . . . 0.0 109.614 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 14.6 p -130.03 145.11 36.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 125.449 1.499 . . . . 0.0 112.763 174.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp -147.8 158.24 43.93 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.603 1.561 . . . . 0.0 112.267 178.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 32.7 m -114.91 131.3 56.92 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.842 1.257 . . . . 0.0 110.859 175.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -82.67 161.66 22.09 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.415 1.886 . . . . 0.0 112.813 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.27 -23.05 66.94 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 174.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 44.6 p30 -79.43 -1.12 35.83 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.398 1.079 . . . . 0.0 113.906 174.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.45 -6.07 84.0 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 125.793 1.663 . . . . 0.0 115.568 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.7 170.81 54.95 Favored Glycine 0 CA--C 1.537 1.42 0 CA-C-N 118.941 1.371 . . . . 0.0 113.18 171.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 70.4 mtm180 -125.84 155.2 41.53 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.677 1.191 . . . . 0.0 112.645 177.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 68.0 t -134.08 141.4 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 126.001 1.72 . . . . 0.0 109.593 -178.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -131.98 146.02 51.83 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.09 1.356 . . . . 0.0 111.799 178.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -130.95 121.14 49.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 125.46 1.504 . . . . 0.0 108.814 174.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.68 166.72 22.85 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 125.144 1.354 . . . . 0.0 114.352 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 52.36 39.39 27.32 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 125.867 1.667 . . . . 0.0 113.336 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -69.7 117.43 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 C-N-CA 125.296 1.438 . . . . 0.0 110.701 -178.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 77.3 mt -78.19 -34.9 49.24 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.388 1.075 . . . . 0.0 111.743 171.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -155.14 143.02 19.97 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.155 0.982 . . . . 0.0 112.189 178.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 7.3 p -125.27 139.77 50.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 125.931 1.692 . . . . 0.0 109.307 167.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 78.4 mtm-85 -136.3 141.85 43.86 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.787 1.635 . . . . 0.0 110.383 -169.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -131.5 123.03 27.17 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 125.282 1.433 . . . . 0.0 110.748 -177.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -162.48 143.63 10.26 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.872 0.869 . . . . 0.0 111.864 -173.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.11 21.76 59.74 Favored Glycine 0 CA--C 1.544 1.901 0 C-N-CA 124.089 0.852 . . . . 0.0 115.058 175.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.25 25.75 60.96 Favored Glycine 0 CA--C 1.537 1.433 0 CA-C-N 118.365 1.082 . . . . 0.0 114.547 -174.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.47 157.54 44.37 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.167 1.387 . . . . 0.0 112.051 177.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 68.5 t -115.94 146.79 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 124.424 1.09 . . . . 0.0 112.206 177.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -130.13 152.99 48.97 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.155 1.782 . . . . 0.0 111.391 171.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 16.7 m -130.32 152.89 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 125.74 1.616 . . . . 0.0 111.559 176.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 85.4 m -132.06 126.31 33.51 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.255 1.422 . . . . 0.0 110.121 173.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 17.6 p -94.54 170.25 9.61 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.213 1.005 . . . . 0.0 113.538 -176.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 59.2 tp -50.09 -30.17 10.47 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 127.191 2.197 . . . . 0.0 114.082 169.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -92.41 10.82 28.38 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.444 1.498 . . . . 0.0 113.281 -178.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 59.3 18.53 6.76 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.562 1.945 . . . . 0.0 114.393 -171.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -76.73 143.57 39.86 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 120.9 -1.125 . . . . 0.0 110.528 172.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -121.73 145.34 48.13 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 124.631 1.173 . . . . 0.0 112.604 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -138.28 154.37 49.04 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.608 1.563 . . . . 0.0 110.639 171.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.38 144.15 34.36 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.822 1.249 . . . . 0.0 112.732 -177.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -141.42 96.55 6.98 Favored Pre-proline 0 CA--C 1.544 0.716 0 C-N-CA 125.597 1.559 . . . . 0.0 111.329 -168.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -64.52 148.78 90.64 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 123.434 2.756 . . . . 0.0 113.317 176.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.28 5.4 89.65 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 125.198 1.38 . . . . 0.0 114.855 177.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 42.5 mt -109.48 163.54 13.33 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.933 1.293 . . . . 0.0 113.581 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.58 157.51 44.37 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 127.715 2.406 . . . . 0.0 109.716 166.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 38.3 mt -69.28 123.19 22.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 O-C-N 121.184 -0.948 . . . . 0.0 109.059 176.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -105.9 -44.11 1.45 Allowed Glycine 0 C--N 1.34 0.757 0 N-CA-C 115.602 1.001 . . . . 0.0 115.602 -168.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -150.51 143.83 24.96 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.511 1.156 . . . . 0.0 111.677 -177.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 47.6 t -137.67 130.27 41.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 125.416 1.486 . . . . 0.0 109.067 -176.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -131.0 110.57 11.33 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 122.151 0.977 . . . . 0.0 111.626 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -81.25 -13.8 58.13 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.327 1.451 . . . . 0.0 112.565 -172.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 35.4 mtm180 -72.74 -23.8 60.88 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.991 1.316 . . . . 0.0 112.403 174.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 41.8 m -123.5 -14.11 7.42 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.536 1.534 . . . . 0.0 114.221 -177.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.58 29.38 63.75 Favored Glycine 0 CA--C 1.539 1.545 0 CA-C-N 119.372 0.987 . . . . 0.0 113.667 -176.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 86.0 t -104.99 138.87 27.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 125.403 1.481 . . . . 0.0 111.123 -176.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 71.8 mt -123.63 138.09 54.62 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 C-N-CA 126.397 1.879 . . . . 0.0 108.968 172.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 32.4 t -127.12 132.91 50.49 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.72 1.208 . . . . 0.0 111.606 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 27.0 mt -93.62 153.1 18.58 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.959 1.303 . . . . 0.0 112.144 176.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -131.02 158.97 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 125.981 1.712 . . . . 0.0 110.672 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -68.67 131.79 45.78 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 121.764 -0.585 . . . . 0.0 111.117 173.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -68.24 -14.57 63.09 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 -172.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 41.1 mm-40 -129.11 129.23 44.93 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.711 1.604 . . . . 0.0 108.807 156.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -143.01 18.97 1.95 Allowed 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 124.457 1.103 . . . . 0.0 113.353 -171.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 46.9 mtm105 . . . . . 0 C--O 1.253 1.272 0 C-N-CA 126.189 1.796 . . . . 0.0 113.233 -179.461 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.534 0 CA-C-O 119.694 -0.503 . . . . 0.0 112.339 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -60.54 145.44 98.78 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 124.035 3.157 . . . . 0.0 113.428 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -67.63 -20.71 72.27 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 124.075 0.845 . . . . 0.0 114.683 -177.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 29.9 t -75.09 -27.92 60.1 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.752 1.221 . . . . 0.0 113.567 174.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.7 mtp -84.08 154.62 23.1 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.16 1.384 . . . . 0.0 112.776 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 26.7 p -155.25 153.92 31.38 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.861 1.264 . . . . 0.0 112.264 174.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -120.18 164.18 16.61 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 126.558 1.943 . . . . 0.0 110.655 172.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.27 172.9 11.62 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.31 0.644 . . . . 0.0 112.183 177.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 56.2 pttt -127.18 150.05 49.69 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.994 0.918 . . . . 0.0 111.24 162.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.7 t -104.02 139.0 26.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 125.462 1.505 . . . . 0.0 110.335 173.137 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.3 p -131.71 146.49 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 125.471 1.509 . . . . 0.0 111.383 172.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 pp -144.4 155.57 43.82 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.057 1.343 . . . . 0.0 112.292 177.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.3 m -117.29 127.95 54.58 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.915 1.286 . . . . 0.0 110.131 172.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -79.95 165.17 22.89 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.973 1.709 . . . . 0.0 112.278 178.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.29 -26.08 68.21 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 178.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 55.8 p30 -81.64 -0.67 43.57 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 125.168 1.387 . . . . 0.0 114.315 174.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.8 -1.63 87.98 Favored Glycine 0 CA--C 1.539 1.542 0 C-N-CA 125.537 1.541 . . . . 0.0 115.696 -177.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.75 160.98 54.19 Favored Glycine 0 CA--C 1.532 1.149 0 CA-C-N 119.451 1.626 . . . . 0.0 112.596 171.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -129.92 151.07 50.89 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.808 1.243 . . . . 0.0 113.044 -177.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 41.4 t -137.15 141.01 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 125.911 1.684 . . . . 0.0 109.664 -177.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -130.13 146.66 51.79 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.915 1.286 . . . . 0.0 112.144 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -131.21 109.5 16.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 126.283 1.833 . . . . 0.0 108.158 178.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.81 158.56 28.42 Favored Glycine 0 CA--C 1.533 1.205 0 C-N-CA 124.045 0.831 . . . . 0.0 114.595 -175.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 52.68 51.41 16.08 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 126.292 1.837 . . . . 0.0 113.641 172.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.5 t -73.92 126.67 35.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 127.942 2.497 . . . . 0.0 111.926 -178.048 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.8 mt -88.42 -28.85 20.63 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.342 1.057 . . . . 0.0 113.213 167.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -155.33 140.94 17.93 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.069 0.948 . . . . 0.0 111.986 -173.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.8 p -141.5 148.23 21.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 125.036 1.335 . . . . 0.0 110.302 169.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.6 ptt85 -155.37 141.12 18.05 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.94 0.896 . . . . 0.0 113.313 177.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.11 117.37 29.78 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.875 1.67 . . . . 0.0 108.899 166.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -154.9 115.02 3.81 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.096 0.959 . . . . 0.0 111.571 -161.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.74 27.98 73.56 Favored Glycine 0 CA--C 1.54 1.655 0 O-C-N 121.018 -1.051 . . . . 0.0 114.897 174.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.92 17.29 67.93 Favored Glycine 0 CA--C 1.535 1.3 0 CA-C-N 118.515 1.158 . . . . 0.0 114.97 -177.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.68 153.06 44.44 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.753 1.621 . . . . 0.0 111.459 176.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.2 t -92.82 138.92 18.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-N 118.149 0.431 . . . . 0.0 110.581 164.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 72.0 mtt85 -125.25 144.77 50.3 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.456 1.503 . . . . 0.0 110.237 171.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.3 p -145.03 143.96 22.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.432 1.093 . . . . 0.0 111.588 -172.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.2 m -128.81 131.53 47.76 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.694 1.597 . . . . 0.0 110.91 -175.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 41.3 p -96.38 169.06 10.18 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 125.038 1.335 . . . . 0.0 112.729 178.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -61.47 -14.92 32.67 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 114.886 1.439 . . . . 0.0 114.886 173.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -79.54 -2.98 44.77 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.671 1.188 . . . . 0.0 113.297 174.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 61.23 13.89 5.18 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.036 1.734 . . . . 0.0 113.951 -162.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -78.55 146.08 34.46 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.448 1.099 . . . . 0.0 110.66 169.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -131.16 152.85 50.03 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 125.189 1.396 . . . . 0.0 113.281 -172.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 -138.59 155.05 48.68 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.477 1.511 . . . . 0.0 111.519 178.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -139.28 141.89 37.75 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 125.137 1.375 . . . . 0.0 111.899 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -140.14 91.68 9.94 Favored Pre-proline 0 CA--C 1.546 0.813 0 C-N-CA 125.806 1.642 . . . . 0.0 110.961 -172.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -67.69 148.97 78.74 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 123.522 2.815 . . . . 0.0 112.918 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.13 -0.1 89.94 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 125.113 1.34 . . . . 0.0 114.981 -177.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 49.0 mt -103.92 163.39 12.39 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.813 1.307 . . . . 0.0 113.389 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.18 162.55 35.0 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 127.713 2.405 . . . . 0.0 110.099 163.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 40.4 mt -71.0 121.3 20.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 O-C-N 121.148 -0.97 . . . . 0.0 109.079 175.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.58 -46.82 2.44 Favored Glycine 0 N--CA 1.467 0.732 0 C-N-CA 124.93 1.252 . . . . 0.0 114.033 -172.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -149.1 155.9 41.41 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.971 1.308 . . . . 0.0 111.424 -178.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.5 t -139.53 126.98 25.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 124.061 0.944 . . . . 0.0 110.193 166.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -105.77 92.88 4.36 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.899 1.68 . . . . 0.0 110.218 175.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -68.21 -18.37 64.56 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.225 -0.922 . . . . 0.0 112.761 -178.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 43.3 mtt85 -60.26 -27.27 67.11 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.102 1.361 . . . . 0.0 112.769 170.059 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 31.1 m -128.5 -9.42 5.13 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.267 1.427 . . . . 0.0 114.62 -173.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.83 21.13 79.03 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.477 1.037 . . . . 0.0 114.61 -177.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 53.8 t -100.46 119.93 49.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 CA-C-N 119.118 1.459 . . . . 0.0 111.266 -176.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 12.7 mt -97.8 135.42 32.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 126.651 1.98 . . . . 0.0 108.146 168.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.1 t -126.61 130.46 50.53 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.691 1.196 . . . . 0.0 111.512 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.8 mt -96.24 154.27 17.35 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.675 1.19 . . . . 0.0 112.564 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -133.25 156.86 42.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 126.272 1.829 . . . . 0.0 110.654 176.273 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -75.08 133.32 41.59 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.083 -1.01 . . . . 0.0 112.016 175.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.64 -9.72 59.25 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.447 1.099 . . . . 0.0 113.924 -175.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 89.3 mm-40 -116.44 136.05 53.32 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 126.213 1.805 . . . . 0.0 109.905 171.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -127.9 31.75 5.06 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 124.981 1.313 . . . . 0.0 112.163 -172.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 . . . . . 0 C--O 1.254 1.304 0 C-N-CA 126.497 1.919 . . . . 0.0 113.189 -172.063 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.618 0 CA-C-O 119.417 -0.657 . . . . 0.0 112.02 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -73.13 -27.49 7.94 Favored 'Cis proline' 0 C--N 1.353 0.787 0 CA-C-N 118.616 1.208 . . . . 0.0 113.708 -1.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -79.77 170.76 54.26 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 124.703 1.144 . . . . 0.0 113.536 174.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 97.2 p -136.57 0.22 2.46 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.094 1.357 . . . . 0.0 114.122 -177.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 72.5 mtm -73.73 161.36 30.32 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.533 1.133 . . . . 0.0 112.282 174.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 48.9 t -136.1 137.99 41.6 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.034 1.334 . . . . 0.0 109.58 169.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -118.82 154.62 32.58 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.565 1.146 . . . . 0.0 113.486 -164.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.43 176.58 9.58 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.981 1.312 . . . . 0.0 112.362 171.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -125.17 146.05 49.68 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 126.046 1.738 . . . . 0.0 111.242 163.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 54.5 t -105.13 143.67 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 125.117 1.367 . . . . 0.0 110.459 177.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 10.4 p -136.88 141.88 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.598 1.559 . . . . 0.0 111.694 171.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -153.18 160.02 42.77 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.505 1.522 . . . . 0.0 112.879 -177.488 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 15.2 m -114.15 128.42 56.37 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.272 1.429 . . . . 0.0 109.71 170.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -77.21 163.53 26.45 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.005 1.722 . . . . 0.0 112.209 178.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.0 -26.41 67.58 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.089 0.956 . . . . 0.0 113.533 175.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -78.11 -1.91 34.81 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 125.021 1.328 . . . . 0.0 113.848 173.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.69 -4.86 80.91 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 125.939 1.733 . . . . 0.0 115.775 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.51 154.17 43.64 Favored Glycine 0 CA--C 1.534 1.222 0 CA-C-N 118.869 1.335 . . . . 0.0 112.535 172.021 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -110.56 150.23 29.24 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.128 0.971 . . . . 0.0 113.195 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 97.6 t -131.44 140.44 48.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 126.152 1.781 . . . . 0.0 109.792 -178.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -130.62 143.12 50.54 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.289 1.436 . . . . 0.0 111.383 175.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 37.4 mt -131.76 124.23 53.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 125.019 1.328 . . . . 0.0 108.974 -178.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -95.41 166.39 25.46 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 124.376 0.989 . . . . 0.0 114.302 176.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 53.16 44.75 29.87 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 126.012 1.725 . . . . 0.0 113.627 176.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 81.7 t -76.03 119.83 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 124.91 1.284 . . . . 0.0 111.633 -176.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 98.6 mt -80.93 -31.57 34.98 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.958 1.303 . . . . 0.0 113.054 173.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -159.55 146.21 16.49 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 118.706 0.684 . . . . 0.0 111.927 -170.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 19.7 m -134.63 153.54 35.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 124.622 1.169 . . . . 0.0 111.842 166.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -144.63 131.22 19.94 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.726 1.21 . . . . 0.0 111.531 174.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.36 98.25 8.75 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 156.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -151.29 136.14 17.28 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.463 1.105 . . . . 0.0 112.059 -166.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.52 27.11 72.22 Favored Glycine 0 CA--C 1.536 1.392 0 N-CA-C 115.176 0.831 . . . . 0.0 115.176 176.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.74 21.47 76.71 Favored Glycine 0 CA--C 1.536 1.377 0 CA-C-N 118.354 1.077 . . . . 0.0 114.725 -174.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.55 167.51 22.85 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.333 1.853 . . . . 0.0 111.536 -176.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 73.2 t -99.42 123.81 52.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 O-C-N 121.81 -0.556 . . . . 0.0 111.639 158.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -89.15 148.29 23.74 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.51 1.524 . . . . 0.0 111.329 165.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 10.5 t -135.74 143.61 35.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 125.871 1.669 . . . . 0.0 109.668 171.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 23.5 m -125.87 132.1 52.25 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.147 1.379 . . . . 0.0 110.087 174.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 30.4 p -101.66 165.99 10.93 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.328 1.051 . . . . 0.0 113.446 -178.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 69.1 tp -49.51 -28.81 5.85 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 127.165 2.186 . . . . 0.0 113.945 174.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -86.63 9.1 19.68 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 126.04 1.736 . . . . 0.0 113.752 -178.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 62.02 13.48 5.7 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 127.003 2.121 . . . . 0.0 114.878 -173.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -79.03 161.29 26.7 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.203 1.001 . . . . 0.0 111.808 168.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -133.83 153.93 51.38 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.761 1.224 . . . . 0.0 113.166 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -130.2 154.17 47.82 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 126.115 1.766 . . . . 0.0 110.219 172.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.06 136.25 31.84 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.277 1.031 . . . . 0.0 111.307 175.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -132.2 90.71 33.89 Favored Pre-proline 0 CA--C 1.54 0.593 0 C-N-CA 125.351 1.46 . . . . 0.0 110.726 -173.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -63.3 144.08 90.6 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 122.882 2.388 . . . . 0.0 113.166 -178.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.04 -1.17 88.98 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 125.65 1.595 . . . . 0.0 115.151 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 50.7 mt -97.68 164.25 12.49 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 119.307 1.554 . . . . 0.0 113.844 176.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.89 164.87 29.08 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 127.649 2.38 . . . . 0.0 110.449 160.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 22.6 mt -72.93 120.43 21.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 O-C-N 121.387 -0.821 . . . . 0.0 109.434 177.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -95.2 -38.21 4.89 Favored Glycine 0 CA--C 1.533 1.205 0 C-N-CA 124.153 0.882 . . . . 0.0 114.091 -175.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 59.5 ttt85 -153.21 145.01 23.52 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.645 1.578 . . . . 0.0 110.867 -175.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.0 t -127.79 126.09 66.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 123.52 0.728 . . . . 0.0 109.412 160.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -117.84 89.41 3.11 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 125.173 1.389 . . . . 0.0 110.341 -176.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -69.07 -11.24 60.61 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.721 1.608 . . . . 0.0 113.288 -170.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 58.4 mtt85 -63.5 -25.39 68.24 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.562 1.145 . . . . 0.0 112.615 169.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 29.4 t -129.75 -21.37 3.08 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.87 1.668 . . . . 0.0 113.398 -177.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.35 23.91 49.35 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 125.111 1.338 . . . . 0.0 113.852 -177.161 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 59.3 t -91.54 127.91 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 CA-C-N 118.266 1.033 . . . . 0.0 111.313 179.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 57.6 mt -101.97 122.93 54.81 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 C-N-CA 126.644 1.977 . . . . 0.0 108.108 167.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 24.3 m -112.22 128.68 56.32 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.063 0.945 . . . . 0.0 111.234 176.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 22.0 mt -97.44 153.29 18.21 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.795 0.838 . . . . 0.0 112.605 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -135.12 159.16 41.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 126.759 2.024 . . . . 0.0 110.464 178.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -73.26 132.19 42.84 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 120.957 -1.09 . . . . 0.0 111.767 174.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -93.89 -15.49 24.95 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.837 0.855 . . . . 0.0 112.044 170.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -73.08 175.11 7.01 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.677 1.591 . . . . 0.0 112.122 166.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 55.21 37.41 28.86 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.977 1.711 . . . . 0.0 114.141 175.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 . . . . . 0 C--O 1.251 1.157 0 C-N-CA 125.587 1.555 . . . . 0.0 112.766 -179.817 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.428 0 CA-C-O 120.042 -0.31 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -67.02 159.9 49.8 Favored 'Trans proline' 0 CA--C 1.543 0.932 0 C-N-CA 123.906 3.071 . . . . 0.0 112.55 176.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 78.61 13.57 83.04 Favored Glycine 0 CA--C 1.541 1.665 0 C-N-CA 124.128 0.87 . . . . 0.0 114.891 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 66.7 m -66.37 161.11 23.26 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.31 1.055 . . . . 0.0 112.812 175.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 ppp? -121.13 159.07 26.55 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.452 1.901 . . . . 0.0 110.259 176.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 40.4 t -79.9 147.19 31.78 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -164.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -64.6 151.04 45.76 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.826 2.05 . . . . 0.0 114.374 -172.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -84.78 179.3 7.37 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.751 1.22 . . . . 0.0 112.124 168.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.0 ptpt -123.41 144.69 49.33 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.065 1.746 . . . . 0.0 111.331 166.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 65.8 t -100.65 143.53 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 125.497 1.519 . . . . 0.0 110.622 178.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.4 p -128.62 143.38 41.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.534 1.533 . . . . 0.0 111.258 165.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 pp -145.86 160.55 41.64 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.671 1.588 . . . . 0.0 111.713 177.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.4 m -122.15 127.78 50.47 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.421 1.088 . . . . 0.0 110.97 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -77.77 167.49 21.45 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.066 1.746 . . . . 0.0 112.487 178.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.15 -23.94 67.67 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -178.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 54.2 p-10 -85.33 1.16 49.65 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.988 1.315 . . . . 0.0 113.888 173.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.18 -0.28 89.41 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 125.49 1.519 . . . . 0.0 115.364 -178.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.39 139.94 23.84 Favored Glycine 0 CA--C 1.529 0.95 0 CA-C-N 119.674 1.737 . . . . 0.0 112.008 173.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 59.7 mtm180 -98.8 153.13 18.99 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 118.204 1.002 . . . . 0.0 113.351 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 87.2 t -134.25 146.7 30.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 126.721 2.009 . . . . 0.0 109.412 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -132.87 151.4 52.04 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.585 1.154 . . . . 0.0 112.895 -178.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -132.38 115.86 26.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 125.575 1.55 . . . . 0.0 109.081 176.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.18 156.03 30.48 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 124.163 0.887 . . . . 0.0 114.154 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 53.92 48.41 21.3 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.575 1.55 . . . . 0.0 114.026 171.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.6 m -76.6 128.52 37.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 O-C-N 120.954 -1.091 . . . . 0.0 111.988 178.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 93.4 mt -78.03 -31.48 50.47 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.956 0.903 . . . . 0.0 111.17 171.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -157.54 146.84 19.96 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.732 1.213 . . . . 0.0 112.354 -174.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.4 t -140.33 134.3 34.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.7 1.6 . . . . 0.0 109.139 171.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.16 140.9 37.99 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 124.313 1.045 . . . . 0.0 112.563 179.291 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.45 134.95 36.05 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.446 1.098 . . . . 0.0 110.232 163.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -135.94 -175.3 3.93 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 127.557 2.343 . . . . 0.0 111.22 -177.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.54 85.04 0.03 OUTLIER Glycine 0 CA--C 1.538 1.498 0 C-N-CA 126.138 1.828 . . . . 0.0 113.87 -174.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.11 14.87 76.06 Favored Glycine 0 CA--C 1.538 1.528 0 C-N-CA 126.435 1.969 . . . . 0.0 115.395 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -156.5 161.01 40.05 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.176 1.488 . . . . 0.0 113.405 -177.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.9 t -98.84 144.99 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 123.712 0.805 . . . . 0.0 110.655 160.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 64.3 mtp180 -127.76 147.81 50.42 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.114 1.766 . . . . 0.0 111.374 170.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -146.69 146.11 19.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.743 1.217 . . . . 0.0 111.694 -172.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.6 m -123.76 130.98 53.47 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.065 1.346 . . . . 0.0 111.138 178.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 40.9 p -94.9 164.16 13.03 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.622 1.169 . . . . 0.0 114.13 -178.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.2 tp -49.83 -32.94 15.32 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.646 1.978 . . . . 0.0 113.092 168.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -82.37 8.06 12.42 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.35 1.86 . . . . 0.0 113.327 -179.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.9 t0 59.93 30.66 20.17 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 127.305 2.242 . . . . 0.0 114.13 -177.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -99.48 140.19 34.04 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.798 1.239 . . . . 0.0 111.223 173.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -97.21 143.38 28.06 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.665 0.745 . . . . 0.0 112.295 170.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -123.91 150.1 45.09 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 126.069 1.747 . . . . 0.0 110.589 170.178 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.05 138.08 31.52 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 124.675 1.19 . . . . 0.0 111.219 -178.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -139.94 91.22 10.41 Favored Pre-proline 0 CA--C 1.545 0.762 0 C-N-CA 125.033 1.333 . . . . 0.0 111.358 -170.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -61.01 146.3 97.94 Favored 'Trans proline' 0 CA--C 1.536 0.602 0 C-N-CA 123.413 2.742 . . . . 0.0 113.402 176.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.88 4.02 89.42 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 125.033 1.302 . . . . 0.0 115.276 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 45.9 mt -104.71 162.97 12.83 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 119.076 1.438 . . . . 0.0 113.536 176.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.35 160.81 39.35 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 127.595 2.358 . . . . 0.0 109.453 164.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 72.7 mt -73.01 122.55 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 O-C-N 120.829 -1.17 . . . . 0.0 109.552 177.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.06 -47.19 2.28 Favored Glycine 0 CA--C 1.527 0.842 0 C-N-CA 124.711 1.148 . . . . 0.0 114.065 -175.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -146.97 154.3 41.08 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 118.546 1.173 . . . . 0.0 112.711 -178.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.8 t -133.77 116.24 23.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 126.151 1.781 . . . . 0.0 109.37 169.055 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -103.3 90.33 3.68 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.219 1.408 . . . . 0.0 109.831 -179.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -66.77 -23.91 66.13 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.097 -1.002 . . . . 0.0 112.278 -178.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -65.73 -19.54 65.94 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.135 1.374 . . . . 0.0 113.915 170.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.0 m -124.19 -17.87 6.03 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.955 1.302 . . . . 0.0 114.406 -175.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.81 34.14 62.64 Favored Glycine 0 CA--C 1.533 1.2 0 CA-C-N 119.109 0.868 . . . . 0.0 113.457 -171.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.3 t -120.64 130.81 74.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.41 1.084 . . . . 0.0 111.537 -174.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 88.9 mt -106.72 136.12 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 126.64 1.976 . . . . 0.0 108.564 169.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.8 t -124.29 127.93 48.38 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.871 0.868 . . . . 0.0 111.26 177.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 27.2 mt -95.88 150.91 19.91 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.299 1.04 . . . . 0.0 111.699 176.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -132.03 161.34 41.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 126.268 1.827 . . . . 0.0 110.641 179.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -71.39 135.32 47.21 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 120.922 -1.111 . . . . 0.0 111.596 176.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.11 -7.98 54.51 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 114.387 1.255 . . . . 0.0 114.387 -176.006 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -141.2 157.69 44.91 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.431 1.892 . . . . 0.0 110.866 171.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -126.16 36.77 4.45 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.105 1.362 . . . . 0.0 112.739 -171.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.1 mmp_? . . . . . 0 C--O 1.256 1.445 0 C-N-CA 125.266 1.427 . . . . 0.0 112.806 177.368 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.653 0 CA-C-O 119.927 -0.374 . . . . 0.0 112.324 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -71.82 -27.32 18.06 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 123.698 2.932 . . . . 0.0 113.719 -176.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . 56.67 -150.78 26.18 Favored Glycine 0 CA--C 1.541 1.717 0 C-N-CA 124.702 1.144 . . . . 0.0 113.588 178.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 33.2 t -73.45 -41.6 63.01 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.954 0.901 . . . . 0.0 111.74 171.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 83.2 mtp -136.4 145.56 45.46 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.831 1.652 . . . . 0.0 111.871 -178.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 30.2 p -147.91 173.36 12.93 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.058 1.743 . . . . 0.0 111.212 -178.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 5.2 mpp? -62.36 144.02 56.27 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.384 0.674 . . . . 0.0 111.988 172.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -83.28 -179.19 7.32 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.856 1.262 . . . . 0.0 112.314 174.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -118.31 151.61 37.37 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.231 1.012 . . . . 0.0 111.937 158.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 76.4 t -103.02 144.83 13.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 124.722 1.209 . . . . 0.0 110.456 172.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 10.5 p -131.2 139.08 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 126.14 1.776 . . . . 0.0 110.769 169.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 pp -146.18 164.23 32.89 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.526 1.53 . . . . 0.0 111.442 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 20.6 m -121.96 129.16 52.27 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.135 0.974 . . . . 0.0 110.077 172.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -73.89 165.6 24.84 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.169 1.388 . . . . 0.0 112.062 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.07 -24.21 66.05 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 170.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -74.51 -6.4 48.18 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.717 1.607 . . . . 0.0 113.935 172.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.51 -5.16 84.34 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 125.996 1.76 . . . . 0.0 115.529 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.74 140.84 19.84 Favored Glycine 0 CA--C 1.535 1.308 0 CA-C-N 118.672 1.236 . . . . 0.0 112.883 175.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 30.9 mtm105 -81.29 157.24 25.19 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 118.039 0.92 . . . . 0.0 113.3 175.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 87.5 t -136.22 141.81 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 126.526 1.931 . . . . 0.0 109.14 171.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -127.61 143.92 51.12 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.635 1.174 . . . . 0.0 111.719 174.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 38.7 mt -130.77 107.68 14.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 125.612 1.565 . . . . 0.0 108.442 -174.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.69 154.88 40.46 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 123.982 0.801 . . . . 0.0 114.135 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 53.06 53.73 11.51 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.271 1.828 . . . . 0.0 114.621 168.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 18.5 m -79.89 134.1 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 124.439 1.096 . . . . 0.0 112.797 177.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 95.8 mt -81.87 -33.97 30.3 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.166 1.387 . . . . 0.0 112.268 172.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -159.68 144.45 15.19 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.23 0.612 . . . . 0.0 111.799 -171.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 38.6 t -137.31 139.75 43.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 124.962 1.305 . . . . 0.0 110.235 178.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 89.3 mtt180 -142.82 133.24 24.87 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.765 0.826 . . . . 0.0 112.06 -177.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -93.29 100.06 12.48 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.679 1.192 . . . . 0.0 109.561 162.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 25.8 pt-20 -155.59 149.35 25.27 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.565 1.146 . . . . 0.0 112.73 -177.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 68.76 25.25 75.27 Favored Glycine 0 CA--C 1.539 1.561 0 C-N-CA 124.214 0.912 . . . . 0.0 115.137 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.96 18.04 80.21 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.393 0.997 . . . . 0.0 114.542 -174.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.35 168.32 20.38 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.197 1.799 . . . . 0.0 111.605 -173.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 77.9 t -102.99 131.32 51.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 O-C-N 122.26 -0.275 . . . . 0.0 111.122 160.117 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -100.84 147.64 25.86 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.842 1.657 . . . . 0.0 110.727 168.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 31.7 t -137.63 139.51 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 125.203 1.401 . . . . 0.0 110.153 174.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 57.8 m -115.18 130.4 56.91 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.334 1.054 . . . . 0.0 110.035 169.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 57.3 p -98.84 168.56 10.05 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.276 1.03 . . . . 0.0 112.594 176.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -57.36 -16.48 9.12 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 178.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -82.5 3.33 28.82 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.044 1.338 . . . . 0.0 113.379 174.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 62.92 13.03 6.27 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 126.935 2.094 . . . . 0.0 114.109 -168.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -78.1 139.64 39.04 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 120.865 -1.147 . . . . 0.0 111.877 173.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -102.1 149.26 24.45 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.528 1.131 . . . . 0.0 112.537 174.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -136.81 149.09 47.55 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 126.479 1.912 . . . . 0.0 109.52 176.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -139.92 141.25 36.53 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.959 0.904 . . . . 0.0 112.9 -179.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -136.47 87.85 21.12 Favored Pre-proline 0 CA--C 1.543 0.691 0 C-N-CA 125.523 1.529 . . . . 0.0 110.807 -170.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -66.08 145.54 79.4 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 123.038 2.492 . . . . 0.0 113.025 -177.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.94 -0.58 89.11 Favored Glycine 0 CA--C 1.537 1.465 0 C-N-CA 124.837 1.208 . . . . 0.0 115.289 -177.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 59.3 mt -100.86 161.18 13.77 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.758 1.279 . . . . 0.0 113.53 176.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.53 164.18 30.85 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 127.948 2.499 . . . . 0.0 110.256 163.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 27.4 mt -72.81 121.57 23.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 O-C-N 121.029 -1.045 . . . . 0.0 109.358 176.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.17 -45.21 2.86 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 124.687 1.137 . . . . 0.0 114.013 -176.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 76.6 ttt-85 -150.14 145.13 26.13 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.576 1.15 . . . . 0.0 111.617 -177.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 32.4 t -131.73 120.8 46.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 126.496 1.919 . . . . 0.0 108.282 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -118.61 98.72 6.38 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.297 1.439 . . . . 0.0 110.531 -172.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -82.15 -4.09 56.25 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.017 1.327 . . . . 0.0 113.419 -171.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 67.8 mtt85 -65.33 -36.42 84.0 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.734 0.814 . . . . 0.0 111.552 174.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 36.7 m -134.83 -5.54 2.45 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.1 1.36 . . . . 0.0 114.501 -175.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.43 65.22 1.96 Allowed Glycine 0 CA--C 1.533 1.184 0 CA-C-N 119.353 0.978 . . . . 0.0 112.804 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 60.7 t -128.66 136.96 58.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 124.277 1.031 . . . . 0.0 111.158 177.055 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 85.8 mt -123.89 120.18 58.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 125.914 1.686 . . . . 0.0 109.323 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 16.0 m -105.0 129.84 53.36 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.68 1.192 . . . . 0.0 111.295 177.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 25.5 mt -99.03 153.01 19.2 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.287 1.035 . . . . 0.0 111.923 176.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -137.05 158.96 36.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 126.727 2.011 . . . . 0.0 111.162 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 19.2 mp0 -66.11 129.56 40.23 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.633 0.773 . . . . 0.0 111.926 175.08 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.61 -7.42 57.58 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -175.132 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -132.13 130.72 41.53 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.54 1.536 . . . . 0.0 110.642 175.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 -139.61 25.02 2.41 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.868 1.267 . . . . 0.0 112.564 -170.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? . . . . . 0 C--O 1.251 1.151 0 C-N-CA 127.114 2.166 . . . . 0.0 111.509 -179.057 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.61 0 N-CA-C 112.258 -0.337 . . . . 0.0 112.258 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -69.32 164.38 34.33 Favored 'Trans proline' 0 CA--C 1.543 0.974 0 C-N-CA 123.937 3.091 . . . . 0.0 112.84 177.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 82.13 176.76 51.45 Favored Glycine 0 CA--C 1.539 1.548 0 C-N-CA 124.768 1.175 . . . . 0.0 113.976 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 21.0 m 56.39 19.6 4.15 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 126.481 1.913 . . . . 0.0 115.069 -176.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.1 mtm -147.98 164.71 32.93 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 127.486 2.314 . . . . 0.0 110.948 -174.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 38.7 t -125.38 137.06 54.02 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.772 1.229 . . . . 0.0 111.454 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -85.4 160.94 19.64 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.871 1.268 . . . . 0.0 112.522 -176.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.43 167.97 20.79 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.682 0.793 . . . . 0.0 112.651 -178.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -117.09 134.27 54.97 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.463 1.105 . . . . 0.0 111.285 163.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 88.4 t -99.85 141.66 16.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 124.907 1.283 . . . . 0.0 109.867 176.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.1 p -141.52 141.83 29.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.86 1.264 . . . . 0.0 112.392 -177.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp -150.54 156.37 41.27 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.13 1.772 . . . . 0.0 112.412 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.3 m -108.64 129.8 55.33 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.187 1.395 . . . . 0.0 109.845 170.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt -79.96 162.63 24.82 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.248 1.419 . . . . 0.0 112.677 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.24 -19.54 63.3 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 124.144 0.977 . . . . 0.0 113.143 166.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -70.13 -11.32 60.8 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.575 1.55 . . . . 0.0 113.847 171.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.06 -10.31 53.68 Favored Glycine 0 CA--C 1.539 1.539 0 C-N-CA 125.688 1.613 . . . . 0.0 114.407 -170.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.24 172.05 55.14 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 125.072 1.32 . . . . 0.0 113.353 171.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -127.67 154.33 45.42 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.575 1.15 . . . . 0.0 113.113 -179.011 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 93.4 t -130.4 133.69 63.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 125.841 1.656 . . . . 0.0 109.897 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -127.88 136.92 52.05 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.716 1.606 . . . . 0.0 110.935 177.118 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.0 mt -133.9 109.59 13.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.688 1.195 . . . . 0.0 109.076 -174.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.68 175.33 45.39 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 124.286 0.946 . . . . 0.0 113.587 176.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 56.25 29.96 15.81 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.993 1.317 . . . . 0.0 113.993 177.106 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 72.3 t -73.23 114.33 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 124.439 1.096 . . . . 0.0 109.818 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.0 tp -86.21 -27.55 24.43 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.578 1.151 . . . . 0.0 111.82 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -155.43 148.92 25.05 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.082 1.353 . . . . 0.0 112.388 177.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.3 p -143.06 143.9 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 125.533 1.533 . . . . 0.0 110.702 173.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -134.92 143.99 47.23 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 126.051 1.74 . . . . 0.0 111.598 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.35 104.17 14.93 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.211 1.004 . . . . 0.0 109.034 160.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -81.24 -176.85 6.2 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.946 1.699 . . . . 0.0 111.745 176.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.4 81.03 0.21 Allowed Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.778 1.18 . . . . 0.0 112.718 174.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.54 20.97 49.83 Favored Glycine 0 CA--C 1.538 1.52 0 C-N-CA 125.332 1.444 . . . . 0.0 115.016 179.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -151.49 161.87 41.94 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.958 1.303 . . . . 0.0 111.987 178.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 82.1 t -98.44 145.7 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 O-C-N 121.564 -0.71 . . . . 0.0 109.73 157.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -137.03 131.74 33.26 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.452 1.501 . . . . 0.0 110.195 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.5 m -119.27 152.16 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 124.821 1.248 . . . . 0.0 111.899 -177.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 64.6 m -130.56 121.3 25.44 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.72 1.608 . . . . 0.0 109.65 174.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 42.0 p -83.7 161.0 21.19 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.458 0.703 . . . . 0.0 111.724 172.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.5 pp -65.37 -10.53 34.03 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 171.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -81.2 3.55 23.35 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 124.667 1.187 . . . . 0.0 113.15 171.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 63.44 11.41 5.54 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 127.391 2.277 . . . . 0.0 114.584 -171.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -82.32 141.58 32.76 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.073 -1.017 . . . . 0.0 111.183 170.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -122.6 152.7 40.18 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 125.124 1.37 . . . . 0.0 112.614 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -138.35 154.0 48.96 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.363 1.465 . . . . 0.0 110.418 171.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.38 145.14 34.99 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.908 0.883 . . . . 0.0 111.838 -178.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -138.5 92.03 12.0 Favored Pre-proline 0 CA--C 1.543 0.694 0 C-N-CA 125.468 1.507 . . . . 0.0 110.855 -170.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -60.76 147.27 95.59 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 123.589 2.859 . . . . 0.0 113.545 177.041 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.63 3.82 90.35 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 124.797 1.189 . . . . 0.0 114.522 178.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 56.6 mt -108.07 163.15 13.4 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 118.802 1.301 . . . . 0.0 113.027 176.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.92 160.06 40.65 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 127.604 2.362 . . . . 0.0 110.264 165.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 43.0 mt -68.24 117.97 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 O-C-N 121.468 -0.77 . . . . 0.0 109.063 174.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.43 -48.43 2.0 Favored Glycine 0 CA--C 1.528 0.844 0 C-N-CA 124.021 0.819 . . . . 0.0 114.353 -170.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 75.1 ttt-85 -152.62 140.16 19.73 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.547 1.139 . . . . 0.0 110.828 -174.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.1 t -119.55 134.27 63.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 123.698 0.799 . . . . 0.0 109.408 169.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -131.14 92.89 3.28 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.454 1.502 . . . . 0.0 110.637 -174.208 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -73.28 -15.24 61.41 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.616 1.166 . . . . 0.0 113.604 -166.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 50.0 mtm180 -66.88 -23.97 66.06 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.367 1.067 . . . . 0.0 112.325 173.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.1 m -124.1 -7.94 7.7 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.635 1.574 . . . . 0.0 113.937 178.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.36 21.88 79.21 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 125.273 1.416 . . . . 0.0 114.276 -178.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 96.0 t -93.14 137.15 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.721 1.208 . . . . 0.0 111.616 -173.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 86.0 mt -117.41 102.31 13.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 127.053 2.141 . . . . 0.0 108.016 172.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.9 m -90.21 127.76 36.21 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.073 0.949 . . . . 0.0 110.875 179.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.6 mt -92.99 153.86 18.49 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.597 0.759 . . . . 0.0 111.97 175.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -134.29 160.9 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 125.895 1.678 . . . . 0.0 111.044 178.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -71.27 134.88 47.13 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.151 -0.968 . . . . 0.0 111.956 177.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -74.73 -21.22 59.48 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -178.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -97.35 139.18 33.68 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.727 1.611 . . . . 0.0 110.614 167.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -126.16 9.31 7.36 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 125.117 1.367 . . . . 0.0 114.127 -174.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 . . . . . 0 C--O 1.253 1.251 0 C-N-CA 126.009 1.724 . . . . 0.0 112.688 177.494 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.562 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -67.64 164.2 32.11 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 124.089 3.193 . . . . 0.0 113.028 177.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . 78.4 17.01 78.62 Favored Glycine 0 CA--C 1.536 1.403 0 N-CA-C 115.225 0.85 . . . . 0.0 115.225 178.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 23.2 t -68.0 152.16 45.96 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.129 0.972 . . . . 0.0 112.436 174.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 11.5 ptp 55.15 173.62 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 128.687 2.795 . . . . 0.0 115.653 -173.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 42.5 t -149.23 150.55 32.77 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.776 1.63 . . . . 0.0 111.261 -176.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -127.25 -83.09 0.61 Allowed 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.967 1.307 . . . . 0.0 112.599 -176.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -151.3 159.23 44.43 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.961 1.305 . . . . 0.0 112.147 -177.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -101.65 134.82 44.2 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.341 1.456 . . . . 0.0 111.068 172.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 4.6 t -100.18 138.74 23.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 125.286 1.434 . . . . 0.0 109.69 165.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -139.65 140.99 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 124.906 1.282 . . . . 0.0 112.313 -179.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 pp -142.79 156.62 45.0 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.744 1.617 . . . . 0.0 112.653 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 16.8 m -107.27 131.56 54.06 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.721 1.209 . . . . 0.0 110.872 172.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -80.25 162.98 24.34 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.393 1.877 . . . . 0.0 112.931 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.1 -23.88 67.28 Favored 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 174.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 47.0 p30 -80.79 0.19 35.9 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.109 1.364 . . . . 0.0 113.727 175.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.84 -6.83 82.18 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 125.118 1.342 . . . . 0.0 115.234 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.73 174.6 52.56 Favored Glycine 0 CA--C 1.54 1.652 0 CA-C-N 119.109 1.454 . . . . 0.0 113.275 170.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -130.01 152.55 49.34 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.148 1.379 . . . . 0.0 113.114 178.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 97.5 t -128.68 138.51 54.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 126.171 1.788 . . . . 0.0 109.308 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -129.15 141.45 51.17 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.194 1.397 . . . . 0.0 111.225 -177.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 92.5 mt -132.14 111.23 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 125.738 1.615 . . . . 0.0 108.307 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.57 168.31 41.79 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.302 0.953 . . . . 0.0 114.197 178.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 53.26 43.21 31.8 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.93 1.692 . . . . 0.0 113.922 172.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 90.4 t -71.08 129.8 34.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 124.49 1.116 . . . . 0.0 111.46 -178.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 96.2 mt -89.21 -39.0 13.84 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.733 1.213 . . . . 0.0 112.305 170.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -151.53 142.92 23.44 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.589 1.156 . . . . 0.0 111.676 -177.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 7.2 p -142.87 144.67 23.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 125.023 1.329 . . . . 0.0 110.606 173.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -137.2 144.78 43.04 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.116 1.367 . . . . 0.0 112.658 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.6 109.45 20.61 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 152.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 53.7 tt0 -152.54 130.09 11.47 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.241 1.016 . . . . 0.0 111.505 -173.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.74 30.7 68.12 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 123.935 0.779 . . . . 0.0 114.937 173.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.97 20.33 79.5 Favored Glycine 0 CA--C 1.531 1.081 0 CA-C-N 118.062 0.931 . . . . 0.0 114.202 -177.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.56 166.48 27.21 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.271 1.828 . . . . 0.0 111.072 -177.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 49.9 t -99.74 135.79 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 O-C-N 121.85 -0.531 . . . . 0.0 110.745 162.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -119.13 143.88 46.95 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.408 1.883 . . . . 0.0 109.985 171.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 9.8 p -147.66 145.8 18.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 C-N-CA 124.496 1.118 . . . . 0.0 112.811 -174.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 63.1 m -129.12 132.56 47.4 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.858 2.063 . . . . 0.0 111.043 -176.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 32.3 p -105.05 167.1 9.93 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.559 1.144 . . . . 0.0 113.929 -175.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 51.7 tp -45.97 -35.76 4.98 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 127.608 2.363 . . . . 0.0 114.237 170.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -84.45 6.75 22.19 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.081 1.752 . . . . 0.0 113.889 -176.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 61.4 11.58 3.79 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.797 2.039 . . . . 0.0 114.35 -170.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -76.39 142.04 41.26 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 120.973 -1.079 . . . . 0.0 110.499 169.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -124.43 151.27 44.7 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.881 1.272 . . . . 0.0 112.116 -178.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 -138.01 156.88 47.37 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.626 1.57 . . . . 0.0 111.539 179.118 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -145.65 143.78 30.04 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.206 1.002 . . . . 0.0 112.376 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -142.95 95.25 6.24 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 125.645 1.578 . . . . 0.0 111.886 -169.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -60.72 146.64 96.94 Favored 'Trans proline' 0 CA--C 1.54 0.816 0 C-N-CA 123.673 2.915 . . . . 0.0 114.013 178.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.1 4.81 89.79 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 124.399 1.0 . . . . 0.0 115.119 177.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 48.0 mt -105.87 161.88 14.06 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 118.614 1.207 . . . . 0.0 113.769 177.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.73 163.59 32.88 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 127.944 2.498 . . . . 0.0 110.063 165.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 32.0 mt -74.31 124.88 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 O-C-N 121.27 -0.894 . . . . 0.0 109.124 175.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -103.5 -36.03 3.41 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 124.41 1.005 . . . . 0.0 114.651 -173.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 76.0 ttt-85 -157.44 147.57 20.73 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-N 118.658 1.229 . . . . 0.0 111.022 -175.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 13.8 t -130.3 133.12 64.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 123.937 0.895 . . . . 0.0 109.712 167.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -125.64 101.2 6.78 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.652 1.581 . . . . 0.0 110.875 -174.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -81.94 -3.94 55.48 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.595 1.158 . . . . 0.0 112.971 -171.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 65.2 mtt85 -64.51 -27.53 69.03 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.31 1.044 . . . . 0.0 112.0 166.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 45.6 m -131.81 -12.27 3.35 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.7 1.6 . . . . 0.0 114.202 -174.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.76 41.3 34.72 Favored Glycine 0 CA--C 1.532 1.097 0 C-N-CA 124.17 0.89 . . . . 0.0 113.024 -178.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 43.1 t -117.07 135.06 58.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.553 1.141 . . . . 0.0 111.845 -175.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 44.9 mt -116.35 114.74 46.94 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 C-N-CA 127.744 2.418 . . . . 0.0 107.951 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 22.9 t -105.41 132.71 51.25 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.782 1.233 . . . . 0.0 111.926 -176.003 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 mp -103.32 148.2 26.14 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.814 1.646 . . . . 0.0 111.382 -176.359 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -135.43 160.36 40.13 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 126.272 1.829 . . . . 0.0 111.407 -177.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 26.5 mp0 -70.84 127.12 31.54 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.274 1.03 . . . . 0.0 112.008 177.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -75.98 -12.78 60.2 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 -171.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -141.83 145.5 34.76 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.939 1.696 . . . . 0.0 110.098 168.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -128.92 13.54 6.3 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -162.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 . . . . . 0 C--O 1.251 1.146 0 C-N-CA 126.53 1.932 . . . . 0.0 112.525 178.378 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.343 0 CA-C-O 119.807 -0.441 . . . . 0.0 112.291 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_exo -58.92 148.25 85.44 Favored 'Trans proline' 0 CA--C 1.538 0.721 0 C-N-CA 124.212 3.274 . . . . 0.0 114.45 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 175.73 140.61 3.49 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 124.889 1.233 . . . . 0.0 112.827 174.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 23.9 t -153.98 154.25 33.43 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.753 1.221 . . . . 0.0 112.606 179.186 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.67 -3.82 48.99 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.717 1.607 . . . . 0.0 114.879 178.027 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 31.5 p -144.36 168.17 20.72 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.661 1.584 . . . . 0.0 112.284 179.283 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 36.1 mtm -62.32 -50.32 72.12 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.194 1.397 . . . . 0.0 111.757 178.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -160.51 168.97 23.95 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.412 1.885 . . . . 0.0 109.901 165.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -138.41 135.52 35.34 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.306 1.442 . . . . 0.0 111.123 173.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.2 t -101.66 142.96 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 125.266 1.426 . . . . 0.0 110.453 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.9 p -136.68 140.27 43.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 125.316 1.446 . . . . 0.0 111.638 172.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 pp -151.53 164.14 37.48 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.642 1.577 . . . . 0.0 112.005 -177.084 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.5 m -125.07 129.67 50.71 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.547 1.139 . . . . 0.0 110.563 171.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -75.21 166.56 23.44 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.982 1.713 . . . . 0.0 111.729 -178.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.78 -25.08 67.25 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 174.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -77.63 -2.63 36.87 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 125.433 1.493 . . . . 0.0 114.085 173.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.13 -2.49 87.63 Favored Glycine 0 CA--C 1.54 1.607 0 C-N-CA 125.472 1.511 . . . . 0.0 115.586 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -85.15 140.89 18.82 Favored Glycine 0 CA--C 1.532 1.102 0 CA-C-N 119.005 1.403 . . . . 0.0 112.311 175.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.5 mtm-85 -83.57 161.04 21.3 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 118.404 1.102 . . . . 0.0 113.469 177.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 52.9 t -134.39 142.42 40.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 125.612 1.565 . . . . 0.0 109.28 166.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.0 mp0 -131.32 142.47 50.1 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.552 1.541 . . . . 0.0 110.771 177.03 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 32.9 mt -135.28 122.66 36.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 125.034 1.334 . . . . 0.0 109.222 -178.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -96.23 173.23 29.97 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 124.72 1.152 . . . . 0.0 113.834 173.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 54.67 40.36 31.84 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.14 1.376 . . . . 0.0 114.117 175.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 83.7 t -78.21 128.72 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 125.446 1.498 . . . . 0.0 112.096 -176.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 89.4 mt -92.38 -33.77 14.44 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.282 1.433 . . . . 0.0 112.772 172.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 62.8 tt0 -157.64 147.39 20.25 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 118.781 0.719 . . . . 0.0 112.103 -169.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.1 t -137.8 139.76 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.707 1.603 . . . . 0.0 110.011 175.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -137.88 114.99 10.89 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.598 1.159 . . . . 0.0 112.393 178.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.2 98.54 11.8 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.964 1.706 . . . . 0.0 110.097 169.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -161.21 153.48 20.1 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.349 1.06 . . . . 0.0 113.028 -174.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 62.47 24.61 66.05 Favored Glycine 0 CA--C 1.537 1.437 0 O-C-N 121.402 -0.811 . . . . 0.0 115.026 178.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.36 15.94 77.25 Favored Glycine 0 CA--C 1.539 1.58 0 C-N-CA 124.643 1.115 . . . . 0.0 114.743 -177.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.02 157.42 43.87 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 118.984 1.392 . . . . 0.0 112.351 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 82.8 t -100.24 136.63 30.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 122.936 0.495 . . . . 0.0 110.487 164.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.0 mtt85 -116.57 150.5 37.91 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.861 1.665 . . . . 0.0 110.069 173.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.1 t -136.69 140.89 42.31 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 125.416 1.486 . . . . 0.0 110.324 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 36.0 m -123.89 145.0 49.42 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.251 1.421 . . . . 0.0 110.839 177.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 49.3 p -130.54 163.9 26.05 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.87 1.268 . . . . 0.0 112.19 -176.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.98 -5.71 13.9 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 115.424 1.638 . . . . 0.0 115.424 -179.269 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -78.02 0.73 23.36 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.651 1.181 . . . . 0.0 113.274 170.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 61.01 13.3 4.49 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 126.673 1.989 . . . . 0.0 114.016 -164.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -83.84 155.56 22.9 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.76 1.224 . . . . 0.0 112.266 172.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -137.07 150.38 48.0 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.697 1.599 . . . . 0.0 112.372 -178.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 -132.19 154.0 50.0 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.945 1.698 . . . . 0.0 110.689 -179.36 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -146.13 140.18 26.5 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.042 0.937 . . . . 0.0 112.817 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -141.25 95.55 7.37 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 125.411 1.484 . . . . 0.0 111.12 -170.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -60.33 149.37 86.18 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 123.878 3.052 . . . . 0.0 113.507 175.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.37 9.8 86.11 Favored Glycine 0 CA--C 1.533 1.169 0 C-N-CA 124.827 1.203 . . . . 0.0 115.254 175.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.8 mt -111.47 161.97 15.58 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.846 1.258 . . . . 0.0 113.822 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -146.14 163.04 36.6 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 127.562 2.345 . . . . 0.0 110.467 165.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 23.2 mt -74.52 123.57 30.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 O-C-N 121.119 -0.988 . . . . 0.0 110.044 177.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -88.07 -45.32 5.11 Favored Glycine 0 N--CA 1.471 0.97 0 C-N-CA 124.603 1.097 . . . . 0.0 113.308 177.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -156.19 162.71 40.16 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.71 1.204 . . . . 0.0 113.144 173.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.35 124.24 51.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.826 1.251 . . . . 0.0 109.147 170.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -110.0 91.34 3.61 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.927 1.691 . . . . 0.0 110.409 -177.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -67.96 -16.39 64.04 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.714 1.206 . . . . 0.0 113.38 -171.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.9 mtm180 -61.47 -26.76 68.1 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.883 0.873 . . . . 0.0 113.075 173.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.2 t -134.22 4.38 3.46 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.808 1.243 . . . . 0.0 113.507 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.77 18.23 72.07 Favored Glycine 0 CA--C 1.539 1.559 0 C-N-CA 124.777 1.18 . . . . 0.0 115.076 -178.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.7 t -81.55 124.18 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 CA-C-N 118.816 1.308 . . . . 0.0 111.052 -176.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 97.3 mt -106.98 115.8 49.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 126.56 1.944 . . . . 0.0 108.628 173.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.4 t -103.64 125.26 50.04 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.405 1.082 . . . . 0.0 111.355 -178.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 27.0 mt -102.36 148.56 25.33 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.471 1.109 . . . . 0.0 112.171 177.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.7 pp -133.84 162.09 39.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 126.934 2.094 . . . . 0.0 110.491 -179.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -69.42 128.66 37.33 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.502 -0.749 . . . . 0.0 111.522 176.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -70.85 -16.21 62.69 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -175.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -126.66 118.12 24.13 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.438 1.495 . . . . 0.0 109.181 163.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -142.68 3.35 1.45 Allowed 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 -171.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 80.4 mtp85 . . . . . 0 C--O 1.258 1.535 0 C-N-CA 125.52 1.528 . . . . 0.0 112.418 179.026 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.403 0 N-CA-C 111.767 -0.533 . . . . 0.0 111.767 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -67.68 150.67 79.5 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 123.495 2.797 . . . . 0.0 112.793 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -71.8 135.49 23.24 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 123.869 0.747 . . . . 0.0 112.758 177.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 22.8 t -158.18 153.67 26.11 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.273 1.429 . . . . 0.0 111.436 175.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -156.66 144.68 19.47 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.309 1.444 . . . . 0.0 112.363 -176.571 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 63.4 m -132.08 12.43 4.7 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.187 1.395 . . . . 0.0 113.457 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 53.3 mtm -69.17 150.51 47.42 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.543 1.537 . . . . 0.0 113.43 -174.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -102.05 179.49 4.31 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.015 1.326 . . . . 0.0 112.241 177.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.53 142.12 48.62 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.694 1.198 . . . . 0.0 111.709 158.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 19.8 t -99.71 145.28 10.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 125.692 1.597 . . . . 0.0 110.093 -179.158 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 12.4 p -135.13 141.16 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 125.108 1.363 . . . . 0.0 111.631 171.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -149.83 155.86 40.81 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.556 1.542 . . . . 0.0 112.613 -176.735 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 17.0 m -116.1 132.83 56.54 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.142 1.377 . . . . 0.0 110.916 178.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -85.22 160.55 19.86 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 126.372 1.869 . . . . 0.0 112.075 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.69 -24.94 67.9 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 177.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -78.21 -0.73 29.66 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 125.03 1.332 . . . . 0.0 113.51 174.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.54 -3.85 86.56 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 125.517 1.532 . . . . 0.0 115.358 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.84 166.07 54.41 Favored Glycine 0 N--CA 1.476 1.3 0 CA-C-N 118.676 1.238 . . . . 0.0 112.843 172.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -127.5 152.49 47.52 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.836 1.255 . . . . 0.0 113.563 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 96.2 t -131.84 141.6 45.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 125.666 1.586 . . . . 0.0 109.76 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -130.29 141.88 50.58 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.254 1.422 . . . . 0.0 111.737 177.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 53.1 mt -138.6 110.98 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 124.713 1.205 . . . . 0.0 109.309 -169.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.79 162.72 33.04 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 124.464 1.031 . . . . 0.0 115.428 -175.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 55.96 45.01 24.69 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.259 1.823 . . . . 0.0 113.821 170.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 3.2 p -79.78 127.62 39.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 123.976 0.911 . . . . 0.0 111.334 -178.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 86.4 mt -82.69 -34.43 27.34 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.408 1.483 . . . . 0.0 112.671 173.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -155.94 143.67 19.57 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.39 1.076 . . . . 0.0 112.341 -179.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 19.0 m -124.82 145.25 32.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 125.101 1.36 . . . . 0.0 110.548 167.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -138.19 138.45 38.57 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.125 1.37 . . . . 0.0 111.035 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.74 120.34 33.03 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.752 0.821 . . . . 0.0 108.982 164.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -156.14 130.9 9.05 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.912 0.885 . . . . 0.0 112.21 -168.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 64.42 25.99 70.39 Favored Glycine 0 CA--C 1.538 1.507 0 N-CA-C 115.36 0.904 . . . . 0.0 115.36 172.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.31 21.78 69.29 Favored Glycine 0 CA--C 1.541 1.657 0 CA-C-N 118.701 1.251 . . . . 0.0 113.968 -173.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.69 168.58 19.38 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.494 1.918 . . . . 0.0 111.323 -179.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 60.9 t -106.58 141.0 22.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 122.921 0.489 . . . . 0.0 111.365 162.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -118.21 143.17 46.74 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 126.649 1.98 . . . . 0.0 110.108 171.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 3.7 m -137.93 140.14 41.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.804 1.242 . . . . 0.0 110.72 -177.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 92.8 m -132.74 132.95 42.86 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.614 1.166 . . . . 0.0 111.638 -173.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 29.8 p -113.71 169.17 9.18 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.96 1.304 . . . . 0.0 113.51 -174.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -60.77 -14.96 24.66 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 115.975 1.843 . . . . 0.0 115.975 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -81.47 4.09 22.38 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.882 1.273 . . . . 0.0 113.627 174.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 61.77 14.3 6.08 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.329 1.852 . . . . 0.0 114.036 -166.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -79.44 155.4 28.35 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.159 0.983 . . . . 0.0 112.265 171.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -144.27 141.61 29.93 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.46 1.504 . . . . 0.0 110.804 -175.59 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -134.52 153.66 51.83 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.424 1.49 . . . . 0.0 110.316 178.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -140.07 141.82 36.18 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.468 1.107 . . . . 0.0 112.62 -176.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -138.18 96.98 9.85 Favored Pre-proline 0 CA--C 1.546 0.805 0 C-N-CA 125.697 1.599 . . . . 0.0 111.048 -169.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -62.43 147.86 94.21 Favored 'Trans proline' 0 CA--C 1.533 0.469 0 C-N-CA 123.951 3.101 . . . . 0.0 113.737 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.66 3.08 90.66 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 124.924 1.25 . . . . 0.0 114.452 176.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 63.6 mt -107.42 161.28 14.96 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 118.934 1.367 . . . . 0.0 113.587 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.61 161.49 37.93 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 128.596 2.758 . . . . 0.0 109.91 167.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 22.6 mt -74.3 122.83 28.41 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 O-C-N 120.992 -1.068 . . . . 0.0 109.87 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.61 -49.24 1.31 Allowed Glycine 0 CA--C 1.53 1.005 0 C-N-CA 124.58 1.086 . . . . 0.0 114.529 -173.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -143.24 156.82 44.83 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 118.127 0.964 . . . . 0.0 112.867 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 12.2 t -135.76 131.55 50.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 126.436 1.895 . . . . 0.0 109.03 172.403 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -130.55 111.49 12.31 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.03 1.332 . . . . 0.0 110.114 173.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -81.04 -15.01 57.3 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.966 0.906 . . . . 0.0 113.382 -175.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 56.2 mtm180 -68.98 -45.93 69.39 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.612 1.165 . . . . 0.0 111.509 175.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 12.3 m -88.87 -19.4 25.92 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.773 1.229 . . . . 0.0 113.565 173.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.66 36.9 58.09 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 124.345 0.974 . . . . 0.0 113.398 -171.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 71.5 t -109.3 139.93 30.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 125.318 1.447 . . . . 0.0 112.281 -172.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 73.6 mt -119.65 128.76 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 125.982 1.713 . . . . 0.0 108.422 170.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 24.4 m -114.3 128.35 56.31 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.089 0.955 . . . . 0.0 111.051 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 23.6 mt -94.61 152.3 18.62 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.003 0.921 . . . . 0.0 112.415 176.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -135.96 164.39 32.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 126.647 1.979 . . . . 0.0 110.772 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -70.31 132.04 45.07 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.898 -1.126 . . . . 0.0 112.229 177.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -72.43 -22.77 61.04 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 -176.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -143.57 150.43 38.83 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 126.608 1.963 . . . . 0.0 110.539 171.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -121.91 8.35 9.91 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 124.874 1.27 . . . . 0.0 113.767 -176.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 79.3 mtp85 . . . . . 0 C--O 1.255 1.349 0 C-N-CA 125.45 1.5 . . . . 0.0 112.328 -179.728 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.565 0 N-CA-C 111.892 -0.483 . . . . 0.0 111.892 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -65.93 139.37 56.4 Favored 'Trans proline' 0 CA--C 1.539 0.747 0 C-N-CA 123.459 2.772 . . . . 0.0 111.799 176.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 69.6 8.95 61.0 Favored Glycine 0 CA--C 1.541 1.671 0 C-N-CA 124.589 1.09 . . . . 0.0 115.748 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 68.7 m -78.09 -15.13 59.16 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 -176.143 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.6 ptm -67.66 149.03 50.56 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.417 1.087 . . . . 0.0 112.886 177.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 28.9 p -154.94 167.7 29.42 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.152 1.381 . . . . 0.0 112.116 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -130.74 172.7 11.69 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.922 1.689 . . . . 0.0 111.737 -179.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.52 -179.14 1.99 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.528 1.131 . . . . 0.0 113.411 176.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -135.95 143.85 45.11 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.444 1.897 . . . . 0.0 110.753 170.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.0 t -99.16 143.72 12.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 124.734 1.213 . . . . 0.0 109.953 179.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.5 p -133.97 145.6 32.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 125.728 1.611 . . . . 0.0 111.043 167.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -151.99 156.96 41.04 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.416 1.086 . . . . 0.0 113.221 -178.286 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.6 m -113.32 124.18 51.88 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.784 1.234 . . . . 0.0 109.076 165.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -76.95 164.95 25.3 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 126.373 1.869 . . . . 0.0 112.193 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.35 -22.59 66.97 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 -178.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 55.0 p-10 -85.87 1.85 48.24 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.386 1.474 . . . . 0.0 114.024 173.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.65 1.12 90.09 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 125.394 1.473 . . . . 0.0 115.492 -178.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.3 159.91 53.58 Favored Glycine 0 CA--C 1.534 1.227 0 CA-C-N 119.232 1.516 . . . . 0.0 112.222 171.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 -122.49 147.98 45.71 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.609 1.163 . . . . 0.0 112.878 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.4 t -139.87 142.77 31.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.371 1.468 . . . . 0.0 109.92 -175.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -129.49 142.93 50.66 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.827 1.651 . . . . 0.0 111.201 175.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 46.0 mt -133.04 112.65 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 125.461 1.504 . . . . 0.0 109.215 -178.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.75 162.26 32.75 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 124.363 0.982 . . . . 0.0 114.149 175.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 52.43 43.44 30.93 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 126.051 1.74 . . . . 0.0 113.715 174.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.2 p -73.69 135.97 26.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 124.012 0.925 . . . . 0.0 111.133 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.6 mt -94.48 -35.15 12.43 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.365 1.066 . . . . 0.0 112.275 175.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -155.15 143.48 20.33 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.019 0.928 . . . . 0.0 112.355 -175.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.9 t -133.89 140.75 45.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 125.843 1.657 . . . . 0.0 109.716 174.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -134.01 146.44 50.4 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.711 1.605 . . . . 0.0 111.325 175.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -121.34 130.84 53.85 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.458 1.503 . . . . 0.0 111.263 176.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -131.35 156.91 44.69 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.285 1.834 . . . . 0.0 109.27 173.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.39 -25.58 55.05 Favored Glycine 0 CA--C 1.541 1.687 0 O-C-N 120.677 -1.264 . . . . 0.0 115.146 -174.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.87 -39.29 11.99 Favored Glycine 0 CA--C 1.539 1.55 0 CA-C-N 118.408 1.104 . . . . 0.0 114.755 172.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -163.76 155.14 16.52 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 119.171 1.485 . . . . 0.0 113.89 -171.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.8 t -87.89 147.8 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 124.254 1.022 . . . . 0.0 110.284 160.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -134.95 142.88 46.6 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 126.479 1.912 . . . . 0.0 110.578 177.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -148.49 145.64 18.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 124.074 0.95 . . . . 0.0 112.181 -174.086 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 42.3 m -133.85 132.67 40.64 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.497 1.119 . . . . 0.0 112.547 -177.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 44.5 p -102.74 167.14 10.08 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.581 1.552 . . . . 0.0 113.392 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.45 -8.99 45.75 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.552 1.316 . . . . 0.0 114.552 171.12 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -78.19 1.85 20.08 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.285 1.034 . . . . 0.0 112.595 171.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.306 2.0 p30 56.77 10.95 0.81 Allowed 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 128.936 2.895 . . . . 0.0 114.686 -165.252 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -74.37 129.01 36.98 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.349 1.06 . . . . 0.0 111.187 171.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -102.43 148.36 25.6 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.177 1.391 . . . . 0.0 111.426 175.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -134.07 145.06 49.03 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.094 1.758 . . . . 0.0 110.36 179.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -148.43 140.71 24.17 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.17 0.988 . . . . 0.0 112.084 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -142.23 101.63 5.7 Favored Pre-proline 0 CA--C 1.545 0.751 0 C-N-CA 124.567 1.147 . . . . 0.0 111.967 -170.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -61.34 148.09 93.85 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 123.374 2.716 . . . . 0.0 114.07 176.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.16 3.89 82.54 Favored Glycine 0 CA--C 1.539 1.542 0 C-N-CA 125.358 1.456 . . . . 0.0 115.674 175.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 73.0 mt -100.83 163.62 12.23 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.645 1.223 . . . . 0.0 113.411 177.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.83 160.06 40.97 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 127.94 2.496 . . . . 0.0 109.483 163.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 20.6 mt -71.57 123.38 25.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 O-C-N 120.484 -1.385 . . . . 0.0 108.894 175.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.5 -34.19 5.1 Favored Glycine 0 CA--C 1.529 0.922 0 C-N-CA 124.839 1.209 . . . . 0.0 114.195 -174.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -158.02 147.66 19.88 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 118.463 1.131 . . . . 0.0 111.474 -173.267 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.7 t -130.91 126.84 60.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 160.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -117.09 111.36 19.42 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.875 1.27 . . . . 0.0 109.412 174.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -81.93 -15.17 54.78 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.492 1.117 . . . . 0.0 112.646 -172.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 34.2 mtm180 -70.19 -35.13 73.72 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.273 1.029 . . . . 0.0 111.468 175.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 80.5 p -105.56 -11.81 16.22 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.911 1.684 . . . . 0.0 113.539 177.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.86 30.6 67.94 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 124.977 1.275 . . . . 0.0 113.926 -177.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.3 t -104.41 126.64 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.696 1.199 . . . . 0.0 112.123 -175.141 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.5 mt -97.13 134.5 34.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 126.073 1.749 . . . . 0.0 107.667 162.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.4 t -127.65 132.9 49.67 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.215 1.006 . . . . 0.0 111.871 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.9 mt -98.49 152.14 19.86 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.746 1.219 . . . . 0.0 112.23 178.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -135.16 160.29 40.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 126.915 2.086 . . . . 0.0 110.908 178.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -68.2 130.12 41.98 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.424 -0.797 . . . . 0.0 111.411 175.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -69.54 -18.63 63.68 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -168.093 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -139.56 149.58 44.04 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.84 1.256 . . . . 0.0 110.818 165.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -125.09 19.62 8.32 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 124.752 1.221 . . . . 0.0 113.154 -171.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 70.2 mtm180 . . . . . 0 C--O 1.257 1.493 0 C-N-CA 125.955 1.702 . . . . 0.0 112.809 -179.846 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.588 0 CA-C-O 119.802 -0.443 . . . . 0.0 112.027 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -66.68 148.22 82.7 Favored 'Trans proline' 0 CA--C 1.542 0.877 0 C-N-CA 123.376 2.717 . . . . 0.0 112.956 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -75.96 146.54 33.77 Favored Glycine 0 CA--C 1.538 1.522 0 C-N-CA 124.322 0.963 . . . . 0.0 113.596 177.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 89.9 p -77.06 155.98 32.1 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.372 1.069 . . . . 0.0 112.49 176.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.8 pmm? -102.1 5.61 40.52 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.672 1.589 . . . . 0.0 113.847 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 62.6 m 60.31 172.68 0.09 Allowed 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 126.882 2.073 . . . . 0.0 114.409 -169.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 60.2 mtm -138.75 151.17 46.88 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.279 1.431 . . . . 0.0 111.813 -171.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.68 163.31 18.34 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.154 0.982 . . . . 0.0 113.366 -178.003 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -96.79 141.81 29.56 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.487 1.915 . . . . 0.0 110.405 165.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 59.6 t -113.92 141.89 28.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 125.273 1.429 . . . . 0.0 109.76 169.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -139.73 143.03 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 125.214 1.406 . . . . 0.0 112.042 178.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 pp -144.45 154.56 43.07 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.89 1.676 . . . . 0.0 111.178 178.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 37.2 m -119.4 122.3 41.46 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.25 1.02 . . . . 0.0 110.101 172.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -71.86 163.7 27.36 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.385 1.074 . . . . 0.0 112.037 178.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.03 -27.39 68.29 Favored 'General case' 0 CA--C 1.552 1.047 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 -178.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -79.56 2.97 20.29 Favored 'General case' 0 CA--C 1.556 1.181 0 C-N-CA 125.592 1.557 . . . . 0.0 113.659 174.155 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.36 0.49 90.11 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 125.71 1.624 . . . . 0.0 115.242 -177.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.99 114.77 4.06 Favored Glycine 0 CA--C 1.532 1.133 0 CA-C-N 118.849 1.325 . . . . 0.0 112.589 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 19.4 ttp180 -77.5 144.96 37.29 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 124.564 1.146 . . . . 0.0 112.707 176.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 60.0 t -132.2 134.84 59.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 126.133 1.773 . . . . 0.0 109.207 176.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -132.55 137.45 47.13 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.394 1.478 . . . . 0.0 111.2 -173.104 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 65.6 mt -134.91 111.83 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 125.388 1.475 . . . . 0.0 109.154 -172.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.94 158.9 35.44 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 123.562 0.601 . . . . 0.0 113.558 175.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 56.61 48.86 15.69 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.744 1.618 . . . . 0.0 114.866 167.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 19.1 m -76.83 134.51 28.62 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 O-C-N 121.086 -1.008 . . . . 0.0 111.91 168.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 91.8 mt -75.98 -35.11 59.74 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.409 1.084 . . . . 0.0 110.509 165.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -155.97 149.21 24.54 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.791 1.236 . . . . 0.0 111.994 -172.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 7.1 p -140.18 141.64 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 126.215 1.806 . . . . 0.0 109.963 172.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -137.75 131.48 31.35 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.606 1.563 . . . . 0.0 111.054 -177.143 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.03 114.22 26.69 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.512 1.125 . . . . 0.0 109.181 161.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -157.35 144.86 18.72 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.156 1.382 . . . . 0.0 112.054 -174.104 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.62 22.95 66.53 Favored Glycine 0 CA--C 1.537 1.442 0 N-CA-C 115.605 1.002 . . . . 0.0 115.605 176.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.33 21.22 73.55 Favored Glycine 0 CA--C 1.536 1.361 0 CA-C-N 118.558 1.179 . . . . 0.0 114.408 -173.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.89 169.03 18.34 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.613 1.965 . . . . 0.0 111.179 -177.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 77.8 t -109.72 142.16 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 O-C-N 121.464 -0.772 . . . . 0.0 110.908 162.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 25.0 mtp-105 -126.22 152.97 45.36 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.294 1.437 . . . . 0.0 111.133 169.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 29.4 m -132.45 153.17 37.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 125.765 1.626 . . . . 0.0 111.915 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 54.9 m -129.44 131.2 46.69 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.613 1.565 . . . . 0.0 109.78 174.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 23.4 p -110.9 169.05 9.02 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.316 1.046 . . . . 0.0 113.392 -175.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -56.23 -19.06 12.25 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 115.446 1.646 . . . . 0.0 115.446 175.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -82.85 2.36 34.63 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.168 1.387 . . . . 0.0 113.196 176.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 60.64 14.86 5.28 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 126.031 1.732 . . . . 0.0 113.94 -165.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -76.42 154.05 35.14 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.968 0.907 . . . . 0.0 111.8 170.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -132.18 146.29 51.93 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 124.646 1.178 . . . . 0.0 111.675 173.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -138.3 154.53 49.01 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.613 1.565 . . . . 0.0 110.871 -178.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -140.77 144.13 35.3 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.926 0.89 . . . . 0.0 113.21 -171.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -141.8 93.69 7.5 Favored Pre-proline 0 CA--C 1.544 0.735 0 C-N-CA 125.61 1.564 . . . . 0.0 110.396 -170.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -62.86 149.56 91.06 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 123.738 2.959 . . . . 0.0 114.048 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.86 4.19 90.44 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 125.0 1.286 . . . . 0.0 114.872 176.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 57.2 mt -106.77 160.4 15.51 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.984 1.314 . . . . 0.0 113.838 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.49 162.66 34.81 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 127.617 2.367 . . . . 0.0 109.862 165.071 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 30.6 mt -73.7 125.31 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 O-C-N 121.363 -0.836 . . . . 0.0 109.014 176.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -108.45 -34.24 2.72 Favored Glycine 0 CA--C 1.532 1.133 0 C-N-CA 124.189 0.899 . . . . 0.0 115.27 -170.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -157.59 148.98 21.71 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 118.342 1.071 . . . . 0.0 111.46 -177.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 38.7 t -138.12 122.0 21.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 125.432 1.493 . . . . 0.0 110.04 176.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -109.65 102.84 11.64 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.544 1.138 . . . . 0.0 110.317 177.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -74.92 -18.37 60.42 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.656 -0.652 . . . . 0.0 112.568 -178.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 84.7 mtp180 -65.2 -23.3 67.05 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.946 1.298 . . . . 0.0 113.237 170.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 50.6 m -122.89 -18.03 6.6 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.117 1.367 . . . . 0.0 114.207 -177.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.45 31.19 59.25 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.622 1.106 . . . . 0.0 113.74 -175.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 17.8 t -117.51 135.93 56.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.666 1.186 . . . . 0.0 111.67 -175.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 97.0 mt -117.31 118.8 59.83 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 C-N-CA 127.666 2.386 . . . . 0.0 108.6 -176.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 18.2 m -103.06 131.37 50.1 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.731 1.212 . . . . 0.0 111.219 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 21.7 mt -95.96 153.57 17.69 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.623 1.169 . . . . 0.0 111.928 175.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -135.26 161.64 39.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 C-N-CA 126.836 2.054 . . . . 0.0 111.029 178.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -69.0 132.3 46.45 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.536 -0.728 . . . . 0.0 111.228 175.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -71.77 -23.22 61.55 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.847 1.425 . . . . 0.0 114.847 -164.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -138.05 143.23 40.42 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.763 1.625 . . . . 0.0 110.613 171.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -138.57 34.37 2.24 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.822 1.649 . . . . 0.0 111.829 -169.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 92.4 mtt-85 . . . . . 0 C--O 1.253 1.261 0 C-N-CA 126.397 1.879 . . . . 0.0 112.369 -175.341 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.357 0 CA-C-O 119.474 -0.625 . . . . 0.0 111.666 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -61.05 158.33 34.84 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 124.337 3.358 . . . . 0.0 114.137 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -143.99 13.31 2.14 Favored Glycine 0 CA--C 1.543 1.792 0 C-N-CA 125.11 1.338 . . . . 0.0 114.561 178.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 73.4 p -74.91 -23.76 58.41 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.149 1.38 . . . . 0.0 113.649 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.85 163.26 17.23 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.162 1.785 . . . . 0.0 113.128 175.461 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 16.4 t -151.59 165.86 32.99 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.363 1.865 . . . . 0.0 110.001 175.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -59.45 142.3 52.73 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.27 -0.894 . . . . 0.0 112.996 177.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.17 178.38 8.44 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.138 1.375 . . . . 0.0 113.051 177.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.2 133.16 53.61 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.739 1.615 . . . . 0.0 110.806 164.027 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.6 t -100.55 144.26 12.87 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 124.907 1.283 . . . . 0.0 110.508 -179.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.8 p -133.35 142.79 40.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 125.172 1.389 . . . . 0.0 111.719 170.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 pp -149.5 158.4 44.14 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.435 1.494 . . . . 0.0 112.682 -178.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.8 m -111.05 130.81 55.48 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.174 1.39 . . . . 0.0 110.33 171.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -80.62 163.81 23.35 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.306 1.442 . . . . 0.0 111.993 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.36 -21.12 65.07 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.978 0.911 . . . . 0.0 112.92 167.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -69.66 -10.78 59.62 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.505 1.522 . . . . 0.0 113.574 171.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.18 -9.64 53.01 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 125.4 1.476 . . . . 0.0 114.718 -171.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.89 169.69 54.76 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.871 1.224 . . . . 0.0 112.88 170.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 84.4 mtt180 -125.87 152.97 44.83 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.406 1.082 . . . . 0.0 112.797 -178.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.9 t -133.35 140.27 47.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 126.369 1.868 . . . . 0.0 109.809 -176.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -126.78 140.69 52.19 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.777 1.631 . . . . 0.0 111.369 176.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.0 mt -136.24 110.73 10.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 124.8 1.24 . . . . 0.0 109.874 -172.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.6 162.5 30.46 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.51 1.052 . . . . 0.0 114.35 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 54.09 42.02 31.77 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.414 1.886 . . . . 0.0 114.009 174.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.6 p -72.87 126.27 33.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 O-C-N 121.231 -0.918 . . . . 0.0 111.092 178.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.0 mt -83.16 -34.8 25.93 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.712 1.205 . . . . 0.0 111.505 173.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 65.2 tt0 -153.35 142.64 21.53 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.663 1.185 . . . . 0.0 112.27 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.9 p -132.22 145.64 34.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 126.104 1.762 . . . . 0.0 110.145 170.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -153.09 147.0 25.33 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.279 1.031 . . . . 0.0 112.722 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.94 112.61 24.3 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.85 1.26 . . . . 0.0 108.96 168.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 72.8 tt0 -153.36 130.99 11.5 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.72 0.808 . . . . 0.0 112.929 -171.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.49 35.85 92.59 Favored Glycine 0 CA--C 1.536 1.36 0 O-C-N 121.186 -0.946 . . . . 0.0 114.529 172.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.81 18.49 77.09 Favored Glycine 0 CA--C 1.537 1.443 0 N-CA-C 115.229 0.851 . . . . 0.0 115.229 -179.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.76 153.71 39.59 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.261 1.424 . . . . 0.0 111.477 178.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 66.9 t -88.68 139.87 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 O-C-N 121.865 -0.522 . . . . 0.0 110.091 160.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.3 mtt-85 -131.39 142.29 50.02 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 125.925 1.69 . . . . 0.0 109.266 -173.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.2 m -131.96 150.7 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 125.065 1.346 . . . . 0.0 111.997 -175.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 57.4 m -127.3 124.82 39.65 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.881 1.672 . . . . 0.0 109.541 170.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 40.5 p -98.14 166.57 11.35 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.512 1.125 . . . . 0.0 113.413 -176.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.3 tp -48.93 -31.06 6.71 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.968 2.107 . . . . 0.0 113.706 173.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -84.85 6.96 22.58 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.478 1.511 . . . . 0.0 113.893 -177.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 61.65 11.15 3.75 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.927 2.091 . . . . 0.0 114.606 -169.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -80.03 147.35 31.54 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.111 0.964 . . . . 0.0 111.408 172.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -130.12 148.2 51.94 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.205 1.402 . . . . 0.0 112.078 -176.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -140.99 158.84 43.37 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.285 1.434 . . . . 0.0 111.51 177.061 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.42 145.92 34.31 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.734 1.214 . . . . 0.0 112.37 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -138.72 94.88 10.11 Favored Pre-proline 0 CA--C 1.542 0.66 0 C-N-CA 126.388 1.875 . . . . 0.0 110.638 -168.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -60.9 148.51 92.23 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 123.666 2.911 . . . . 0.0 114.748 -178.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.2 1.01 87.61 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 124.986 1.279 . . . . 0.0 114.988 176.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 52.6 mt -97.28 162.69 13.23 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 118.985 1.393 . . . . 0.0 114.05 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.98 161.95 36.36 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 127.282 2.233 . . . . 0.0 110.74 162.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 41.5 mt -73.67 120.69 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 O-C-N 121.2 -0.938 . . . . 0.0 109.462 175.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.76 -48.11 2.0 Favored Glycine 0 CA--C 1.529 0.912 0 C-N-CA 124.115 0.864 . . . . 0.0 113.931 -173.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 75.9 ttt-85 -147.54 146.62 29.51 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.845 1.258 . . . . 0.0 112.186 -176.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 50.4 t -133.73 123.06 44.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 126.652 1.981 . . . . 0.0 108.384 177.251 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -124.58 94.84 4.32 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.238 1.415 . . . . 0.0 110.585 -170.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -74.76 -8.68 57.17 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.38 1.472 . . . . 0.0 113.241 -171.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 58.2 mtt85 -64.32 -23.91 67.46 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.527 1.131 . . . . 0.0 112.789 173.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.3 t -137.28 -21.55 1.18 Allowed 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 126.204 1.802 . . . . 0.0 113.507 178.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 85.44 36.78 10.31 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 120.956 -1.09 . . . . 0.0 113.081 -172.251 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.2 t -89.81 137.79 20.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 CA-C-N 118.055 0.927 . . . . 0.0 109.98 173.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 66.3 mt -124.0 129.94 74.04 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 C-N-CA 125.649 1.58 . . . . 0.0 108.809 172.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.8 m -121.77 128.17 51.44 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.649 1.18 . . . . 0.0 110.904 -177.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.8 mt -94.67 153.95 17.57 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.641 0.776 . . . . 0.0 112.422 178.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.6 pt -123.38 163.7 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 127.294 2.238 . . . . 0.0 109.929 176.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 -68.54 135.6 51.8 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.367 -0.833 . . . . 0.0 109.302 159.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -69.34 -23.54 63.79 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 121.397 -0.815 . . . . 0.0 112.792 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -144.0 151.18 39.38 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.827 2.051 . . . . 0.0 110.312 171.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -125.42 9.7 7.87 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 124.768 1.227 . . . . 0.0 113.641 -178.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 . . . . . 0 C--O 1.253 1.241 0 C-N-CA 125.409 1.484 . . . . 0.0 112.404 174.888 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.633 0 CA-C-O 119.752 -0.471 . . . . 0.0 112.085 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -60.86 157.18 39.47 Favored 'Trans proline' 0 CA--C 1.537 0.665 0 C-N-CA 124.145 3.23 . . . . 0.0 114.444 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -74.58 -174.48 32.55 Favored Glycine 0 CA--C 1.541 1.68 0 C-N-CA 124.615 1.102 . . . . 0.0 113.684 172.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 24.1 t -146.1 140.06 26.45 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.325 1.05 . . . . 0.0 112.277 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ptp -160.99 170.79 19.87 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 127.407 2.283 . . . . 0.0 109.778 178.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 50.7 m 61.16 21.17 11.63 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 116.022 1.86 . . . . 0.0 116.022 174.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -49.63 -48.56 49.1 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 126.189 1.795 . . . . 0.0 112.598 -176.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -160.24 171.03 19.92 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.864 1.665 . . . . 0.0 110.45 170.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 58.8 pttt -134.63 153.76 51.82 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.236 1.414 . . . . 0.0 111.941 168.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 75.5 t -99.15 146.48 8.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 125.393 1.477 . . . . 0.0 110.254 172.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 9.4 p -137.91 140.04 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 C-N-CA 125.36 1.464 . . . . 0.0 111.194 171.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -148.42 157.63 43.6 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.402 1.481 . . . . 0.0 112.442 -176.111 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 14.7 m -112.45 130.93 55.82 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.052 1.341 . . . . 0.0 110.505 173.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -80.87 163.66 23.23 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.235 1.414 . . . . 0.0 112.774 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.92 -20.56 65.31 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 123.597 0.759 . . . . 0.0 112.841 166.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -69.46 -11.62 60.97 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 125.069 1.348 . . . . 0.0 113.92 171.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.62 -9.9 57.62 Favored Glycine 0 CA--C 1.54 1.632 0 C-N-CA 125.507 1.527 . . . . 0.0 114.843 -171.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.02 171.12 55.12 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.991 1.282 . . . . 0.0 113.016 171.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -125.05 152.02 44.84 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.771 1.229 . . . . 0.0 112.917 -178.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 84.3 t -134.99 145.5 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 126.718 2.007 . . . . 0.0 109.801 -176.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -133.94 149.14 51.26 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.429 1.492 . . . . 0.0 111.95 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -131.37 113.98 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 125.543 1.537 . . . . 0.0 109.237 177.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.9 163.81 33.64 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.426 1.012 . . . . 0.0 114.635 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 53.25 44.98 29.45 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.929 1.692 . . . . 0.0 113.876 175.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 28.5 m -75.24 138.29 21.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 O-C-N 120.673 -1.267 . . . . 0.0 111.827 -178.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 97.0 mt -92.06 -29.88 16.32 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.138 1.375 . . . . 0.0 111.967 170.204 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 61.7 tt0 -156.14 146.45 21.57 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 124.049 0.94 . . . . 0.0 112.433 -177.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 19.5 t -142.09 135.94 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 125.979 1.712 . . . . 0.0 108.549 173.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -145.99 144.82 30.35 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.146 0.979 . . . . 0.0 112.914 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.16 119.2 30.29 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.135 1.374 . . . . 0.0 108.776 168.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -155.7 128.05 7.73 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.856 0.862 . . . . 0.0 111.651 -166.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.88 26.04 69.75 Favored Glycine 0 CA--C 1.538 1.53 0 N-CA-C 116.074 1.19 . . . . 0.0 116.074 173.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.33 19.45 74.23 Favored Glycine 0 CA--C 1.54 1.608 0 CA-C-N 118.079 0.94 . . . . 0.0 114.172 -173.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.71 170.63 15.73 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.279 1.831 . . . . 0.0 110.724 178.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 75.2 t -104.18 140.16 23.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 O-C-N 121.649 -0.657 . . . . 0.0 110.436 160.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -128.14 141.01 51.61 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.66 1.984 . . . . 0.0 109.801 177.163 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -150.67 146.12 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.825 0.85 . . . . 0.0 112.41 -168.629 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 30.8 m -126.87 138.92 53.39 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.476 1.91 . . . . 0.0 111.143 -175.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 26.4 p -104.98 167.25 9.83 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 -177.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 54.5 tp -51.15 -32.31 22.67 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 127.772 2.429 . . . . 0.0 113.396 171.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -87.31 8.49 24.06 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.969 1.708 . . . . 0.0 113.112 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 26.8 t0 61.33 24.62 14.7 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 127.022 2.129 . . . . 0.0 114.1 -176.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -85.62 150.97 24.26 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.008 0.923 . . . . 0.0 110.682 169.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -121.44 144.7 48.54 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.45 1.5 . . . . 0.0 111.862 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -134.54 152.73 51.98 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.76 1.624 . . . . 0.0 110.808 178.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.4 142.54 30.4 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.791 1.236 . . . . 0.0 112.077 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -139.96 90.89 10.54 Favored Pre-proline 0 CA--C 1.543 0.693 0 C-N-CA 125.228 1.411 . . . . 0.0 110.794 -171.062 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -60.94 144.85 99.66 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.523 2.815 . . . . 0.0 113.28 178.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.34 5.2 90.18 Favored Glycine 0 CA--C 1.533 1.192 0 CA-C-O 118.986 -0.897 . . . . 0.0 114.888 178.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 36.7 mt -104.89 163.42 12.53 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 119.152 1.476 . . . . 0.0 113.334 176.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.19 162.33 35.88 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 127.779 2.432 . . . . 0.0 109.535 164.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 53.6 mt -75.09 121.89 27.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 O-C-N 121.03 -1.043 . . . . 0.0 108.956 176.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -98.13 -38.04 4.18 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 124.45 1.024 . . . . 0.0 114.358 -175.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 75.2 ttt-85 -157.64 144.57 18.14 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.752 1.221 . . . . 0.0 111.576 -174.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 14.6 t -125.97 128.23 71.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 123.461 0.704 . . . . 0.0 109.706 166.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -115.3 95.36 5.14 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.383 1.873 . . . . 0.0 110.109 -177.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -75.79 -11.28 59.95 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.941 1.296 . . . . 0.0 112.916 -172.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 44.8 mtt85 -65.26 -33.36 75.81 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.775 1.23 . . . . 0.0 112.078 172.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 49.9 m -126.26 -4.88 6.7 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.698 1.599 . . . . 0.0 114.05 -175.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.44 41.21 67.46 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 124.935 1.255 . . . . 0.0 113.723 -178.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 55.2 t -111.2 126.74 68.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 CA-C-N 118.305 1.053 . . . . 0.0 111.809 -177.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 79.8 mt -107.68 111.54 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 C-N-CA 126.644 1.978 . . . . 0.0 108.59 175.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 36.0 m -100.42 125.49 46.71 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.182 0.993 . . . . 0.0 111.307 -178.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 18.1 mt -95.3 152.36 18.44 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.219 1.008 . . . . 0.0 111.475 176.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -133.55 159.7 42.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 126.987 2.115 . . . . 0.0 110.401 177.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -73.69 137.12 43.87 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 121.392 -0.818 . . . . 0.0 111.622 175.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -73.88 -19.42 60.72 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.955 0.902 . . . . 0.0 112.868 178.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -93.14 149.96 20.85 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.905 1.682 . . . . 0.0 112.331 170.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -122.26 39.95 3.77 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 125.781 1.633 . . . . 0.0 111.089 173.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 35.7 ptt-85 . . . . . 0 C--O 1.253 1.24 0 C-N-CA 126.538 1.935 . . . . 0.0 113.854 179.92 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.67 0 CA-C-O 119.547 -0.585 . . . . 0.0 112.109 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -67.31 149.44 81.08 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 C-N-CA 123.84 3.027 . . . . 0.0 112.444 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -72.56 -27.84 68.67 Favored Glycine 0 CA--C 1.536 1.376 0 O-C-N 121.78 -0.575 . . . . 0.0 113.725 177.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 34.5 t -159.72 145.51 15.78 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.772 1.629 . . . . 0.0 110.961 174.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ptm -156.02 163.35 39.81 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.634 1.573 . . . . 0.0 111.456 176.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 29.4 p -143.77 165.24 28.22 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.612 1.565 . . . . 0.0 110.864 172.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 62.8 mtm -137.53 159.84 40.82 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.125 1.37 . . . . 0.0 112.228 -172.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.6 177.42 6.55 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.931 1.293 . . . . 0.0 113.324 178.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -136.5 130.55 32.68 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 126.196 1.798 . . . . 0.0 110.4 165.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 45.4 t -100.43 142.01 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 124.295 1.038 . . . . 0.0 110.663 -173.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.8 p -137.77 143.66 33.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 125.543 1.537 . . . . 0.0 111.583 173.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -151.13 160.97 43.56 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.74 1.616 . . . . 0.0 112.177 177.534 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.8 m -114.94 128.22 56.15 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.327 1.451 . . . . 0.0 109.71 171.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -79.47 161.73 25.89 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.585 1.554 . . . . 0.0 112.776 -178.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.09 -21.02 64.64 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 123.929 0.892 . . . . 0.0 112.821 166.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -68.57 -11.23 59.7 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.802 1.241 . . . . 0.0 113.736 170.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.55 -9.32 59.17 Favored Glycine 0 CA--C 1.538 1.493 0 C-N-CA 125.877 1.703 . . . . 0.0 114.398 -172.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.39 170.52 54.87 Favored Glycine 0 CA--C 1.534 1.219 0 CA-C-N 118.661 1.23 . . . . 0.0 113.597 172.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -124.97 154.96 40.39 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.995 1.318 . . . . 0.0 113.106 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 42.1 t -131.2 142.2 44.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 126.634 1.974 . . . . 0.0 109.373 -176.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -136.87 145.52 44.48 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.821 1.248 . . . . 0.0 111.551 176.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.6 mt -136.37 124.4 35.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 124.732 1.213 . . . . 0.0 109.615 -177.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -95.2 162.02 23.58 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 124.627 1.108 . . . . 0.0 113.806 175.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 51.02 46.45 26.4 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.574 1.55 . . . . 0.0 112.99 -179.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 74.5 t -75.2 120.75 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 124.088 0.955 . . . . 0.0 109.785 177.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.9 tp -98.17 -23.36 15.73 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.355 1.462 . . . . 0.0 112.28 -175.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -160.95 150.53 17.11 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.862 0.865 . . . . 0.0 112.007 173.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 30.6 m -132.6 150.36 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 C-N-CA 124.743 1.217 . . . . 0.0 111.889 165.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -140.51 138.98 34.99 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.595 1.558 . . . . 0.0 111.627 176.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -88.86 139.52 30.38 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.373 1.069 . . . . 0.0 110.758 166.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -120.07 173.42 7.1 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 127.018 2.127 . . . . 0.0 110.848 171.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -70.36 46.18 0.65 Allowed Glycine 0 CA--C 1.541 1.669 0 C-N-CA 126.547 2.022 . . . . 0.0 115.38 -179.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 152.21 -1.8 0.32 Allowed Glycine 0 CA--C 1.542 1.757 0 C-N-CA 126.173 1.844 . . . . 0.0 115.68 -178.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -157.16 162.78 39.35 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.748 1.774 . . . . 0.0 113.561 -174.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.6 t -105.12 144.01 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 123.905 0.882 . . . . 0.0 110.54 161.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -118.22 148.73 42.1 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 126.281 1.832 . . . . 0.0 111.097 170.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.9 t -132.55 140.9 46.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 126.439 1.896 . . . . 0.0 109.236 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.3 m -121.8 124.68 44.75 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.319 1.447 . . . . 0.0 109.798 171.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 48.8 p -87.75 168.39 13.0 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.0 0.92 . . . . 0.0 113.164 176.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.8 tp -48.47 -33.88 10.15 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.958 1.703 . . . . 0.0 113.734 167.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -83.96 6.87 20.23 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.745 1.618 . . . . 0.0 113.767 -174.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 61.18 11.24 3.39 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 127.076 2.151 . . . . 0.0 114.57 -170.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -77.13 131.97 38.59 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.072 -1.018 . . . . 0.0 110.577 170.012 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -98.8 149.5 22.82 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.137 0.975 . . . . 0.0 112.836 173.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -129.88 151.85 49.99 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.944 1.698 . . . . 0.0 110.226 170.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -140.67 143.22 34.99 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.037 0.935 . . . . 0.0 112.489 -177.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -138.61 91.58 12.08 Favored Pre-proline 0 CA--C 1.539 0.551 0 C-N-CA 125.293 1.437 . . . . 0.0 110.749 -173.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -67.68 147.5 75.99 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 123.006 2.471 . . . . 0.0 111.935 177.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.01 2.64 90.67 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 125.292 1.425 . . . . 0.0 114.601 -178.151 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 43.7 mt -108.82 165.16 11.77 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 118.808 1.304 . . . . 0.0 113.311 177.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.0 160.29 39.74 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 127.756 2.423 . . . . 0.0 109.889 163.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 34.2 mt -68.22 120.75 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 O-C-N 120.96 -1.087 . . . . 0.0 108.856 174.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -107.92 -39.65 1.82 Allowed Glycine 0 CA--C 1.531 1.04 0 C-N-CA 124.268 0.937 . . . . 0.0 115.073 -167.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 49.6 ttt180 -152.2 148.32 27.45 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 118.449 1.125 . . . . 0.0 111.586 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.7 t -133.29 129.41 56.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 125.269 1.428 . . . . 0.0 109.713 174.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -113.93 106.45 14.45 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.17 1.388 . . . . 0.0 110.903 172.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -79.19 -8.65 59.18 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.229 -0.92 . . . . 0.0 112.603 178.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.7 mtm180 -67.8 -23.16 65.17 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.298 1.839 . . . . 0.0 113.339 169.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 88.9 p -141.91 -10.05 0.9 Allowed 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 -171.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.27 6.32 88.85 Favored Glycine 0 CA--C 1.538 1.527 0 C-N-CA 125.493 1.521 . . . . 0.0 114.757 -177.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.9 t -74.02 133.08 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 CA-C-N 119.15 1.475 . . . . 0.0 111.686 -178.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 77.1 mt -116.02 125.71 73.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 126.855 2.062 . . . . 0.0 107.457 167.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 36.2 t -118.79 131.32 56.1 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.115 1.366 . . . . 0.0 110.776 -178.38 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.8 mt -101.59 148.11 25.62 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.448 1.099 . . . . 0.0 111.56 -178.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -128.58 157.74 41.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 125.965 1.706 . . . . 0.0 111.226 -178.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -71.49 125.48 27.15 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.573 -0.704 . . . . 0.0 112.065 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.38 -24.77 36.8 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.403 0.681 . . . . 0.0 112.629 173.195 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -84.02 134.69 34.62 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.066 1.346 . . . . 0.0 111.071 170.062 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 63.4 m-80 -138.72 29.54 2.35 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.285 1.434 . . . . 0.0 112.51 -174.195 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.286 0 C-N-CA 126.729 2.012 . . . . 0.0 112.925 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.448 0 CA-C-O 119.937 -0.368 . . . . 0.0 112.319 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -75.53 -10.56 20.41 Favored 'Trans proline' 0 CA--C 1.545 1.074 0 C-N-CA 124.354 3.369 . . . . 0.0 114.583 -176.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -68.98 165.9 48.1 Favored Glycine 0 CA--C 1.539 1.54 0 O-C-N 121.254 -0.903 . . . . 0.0 113.997 175.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 23.8 m 59.3 20.34 8.52 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 115.476 1.658 . . . . 0.0 115.476 -177.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ptm -151.22 170.79 18.6 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.788 2.035 . . . . 0.0 110.907 174.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 28.7 p -141.87 162.22 36.03 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.546 1.138 . . . . 0.0 113.061 -176.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 74.5 mtm -71.17 151.26 44.56 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.707 1.203 . . . . 0.0 112.759 177.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -82.66 173.66 11.72 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.25 1.02 . . . . 0.0 112.089 171.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -121.98 144.54 48.82 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.853 1.261 . . . . 0.0 110.922 164.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 73.2 t -99.84 144.05 12.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 125.117 1.367 . . . . 0.0 110.016 178.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 9.7 p -135.69 140.51 44.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 125.432 1.493 . . . . 0.0 111.496 173.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 pp -149.53 157.23 43.09 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.613 1.565 . . . . 0.0 112.709 -177.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 18.1 m -111.69 133.01 54.22 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.048 1.339 . . . . 0.0 111.16 177.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -83.37 161.7 21.28 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.454 1.502 . . . . 0.0 112.4 178.182 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.31 -21.66 65.43 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 169.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -70.33 -10.39 58.87 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.204 1.402 . . . . 0.0 113.917 172.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.14 -8.2 68.22 Favored Glycine 0 CA--C 1.539 1.587 0 C-N-CA 125.411 1.481 . . . . 0.0 114.44 -173.24 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.68 170.54 55.01 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 124.836 1.207 . . . . 0.0 112.927 170.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -126.84 153.56 45.5 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.633 1.173 . . . . 0.0 113.054 -179.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 68.9 t -132.88 144.17 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 126.376 1.871 . . . . 0.0 109.358 -176.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -131.76 149.11 52.57 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.098 1.359 . . . . 0.0 111.788 177.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -129.37 119.79 49.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 124.993 1.317 . . . . 0.0 109.142 173.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -94.74 170.82 29.76 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 124.847 1.213 . . . . 0.0 113.192 173.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 53.97 42.95 31.48 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.161 1.385 . . . . 0.0 113.46 178.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 70.1 t -80.81 121.61 34.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 125.436 1.495 . . . . 0.0 111.845 -176.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 89.9 mt -83.98 -32.5 24.95 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.807 1.243 . . . . 0.0 113.023 172.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -157.01 149.38 23.16 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.764 0.711 . . . . 0.0 112.294 -172.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 39.9 t -132.96 141.57 44.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 125.096 1.359 . . . . 0.0 109.716 170.101 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 41.3 mtt180 -134.22 136.13 43.46 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.801 1.64 . . . . 0.0 109.875 -179.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.75 136.8 52.67 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.479 1.112 . . . . 0.0 111.288 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -146.31 155.08 42.38 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.091 1.757 . . . . 0.0 109.651 175.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.44 -25.07 62.42 Favored Glycine 0 CA--C 1.535 1.318 0 O-C-N 121.45 -0.781 . . . . 0.0 114.558 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.84 -52.85 6.14 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 124.43 1.014 . . . . 0.0 113.5 172.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -160.78 147.98 15.54 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.589 1.156 . . . . 0.0 112.983 -173.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 70.0 t -83.05 137.69 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 123.462 0.705 . . . . 0.0 109.23 163.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -113.58 151.62 31.42 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.035 1.334 . . . . 0.0 111.064 173.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 41.2 t -136.51 141.33 41.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 125.318 1.447 . . . . 0.0 109.872 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 39.2 m -117.74 139.08 51.54 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.709 1.204 . . . . 0.0 110.634 177.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 25.4 p -128.84 155.06 45.81 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.182 1.393 . . . . 0.0 112.408 -178.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.41 -4.44 3.91 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 116.538 2.051 . . . . 0.0 116.538 -171.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -75.01 4.86 5.9 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.569 1.148 . . . . 0.0 113.289 167.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 59.43 25.47 14.22 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 126.628 1.971 . . . . 0.0 113.245 -164.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -90.74 154.79 19.28 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 124.509 1.124 . . . . 0.0 111.891 174.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -132.62 134.52 44.99 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 124.929 1.292 . . . . 0.0 110.903 174.043 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -114.07 154.05 28.39 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 126.638 1.975 . . . . 0.0 109.702 -176.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.96 137.91 26.47 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.538 0.735 . . . . 0.0 112.348 179.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -137.05 97.23 11.01 Favored Pre-proline 0 CA--C 1.546 0.801 0 C-N-CA 125.37 1.468 . . . . 0.0 111.034 -170.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_exo -61.58 148.89 91.94 Favored 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 123.966 3.11 . . . . 0.0 114.815 -178.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.88 19.69 78.36 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 124.337 0.97 . . . . 0.0 115.345 172.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 69.0 mt -112.45 166.73 11.04 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.347 1.459 . . . . 0.0 113.015 177.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -146.77 160.46 42.23 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 127.262 2.225 . . . . 0.0 109.938 164.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 50.6 mt -71.83 120.42 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 O-C-N 121.183 -0.948 . . . . 0.0 109.126 175.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.32 -41.75 6.44 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 124.726 1.155 . . . . 0.0 113.663 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 39.2 ptt85 -161.15 155.98 23.7 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.448 1.499 . . . . 0.0 112.708 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 24.9 t -132.91 114.79 22.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 C-N-CA 124.854 1.261 . . . . 0.0 108.763 171.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -111.17 89.0 2.92 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.479 1.112 . . . . 0.0 110.327 -167.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -67.76 -14.57 63.06 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 121.087 -1.008 . . . . 0.0 112.65 -176.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 53.9 mtm180 -60.48 -22.44 63.51 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.811 1.645 . . . . 0.0 113.743 166.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 21.3 t -132.86 -20.85 2.2 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.364 1.466 . . . . 0.0 113.905 -174.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.82 25.98 51.27 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 124.82 1.2 . . . . 0.0 113.714 -176.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 94.0 t -106.17 128.98 60.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.984 1.314 . . . . 0.0 111.843 -176.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 97.1 mt -102.19 117.82 48.12 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 C-N-CA 126.367 1.867 . . . . 0.0 107.95 165.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 32.7 t -106.38 126.32 52.1 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.423 0.689 . . . . 0.0 110.777 -178.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 32.9 mt -99.77 145.52 27.6 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.396 1.078 . . . . 0.0 111.891 175.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -133.76 156.68 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 126.295 1.838 . . . . 0.0 110.732 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 19.6 mp0 -70.86 129.8 40.01 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 121.363 -0.835 . . . . 0.0 112.283 -179.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -84.13 -13.42 52.97 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -132.79 142.74 49.15 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.919 1.688 . . . . 0.0 111.254 167.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -90.29 4.79 49.66 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.452 1.501 . . . . 0.0 113.991 -178.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 . . . . . 0 C--O 1.255 1.392 0 C-N-CA 127.177 2.191 . . . . 0.0 113.296 -174.944 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.716 0 CA-C-O 119.848 -0.418 . . . . 0.0 112.133 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -68.08 -29.45 33.47 Favored 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 123.58 2.854 . . . . 0.0 113.298 -178.288 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -74.14 -13.01 81.48 Favored Glycine 0 CA--C 1.539 1.575 0 C-N-CA 124.635 1.112 . . . . 0.0 114.612 174.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 14.2 m -76.22 -1.67 27.57 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.202 1.401 . . . . 0.0 114.072 -178.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 ppp? -139.97 166.73 23.85 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.103 1.761 . . . . 0.0 111.625 177.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 39.0 t -153.16 154.43 34.75 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.265 1.426 . . . . 0.0 111.149 176.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 5.2 mpp? -63.19 152.93 36.1 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.654 1.182 . . . . 0.0 113.301 173.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.74 177.64 8.78 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.526 1.53 . . . . 0.0 112.292 171.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -124.79 149.42 47.41 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.662 1.185 . . . . 0.0 111.466 161.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 53.8 t -100.15 144.34 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 125.333 1.453 . . . . 0.0 110.24 174.277 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.5 p -135.74 140.71 43.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 125.622 1.569 . . . . 0.0 111.764 173.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -145.27 155.42 43.22 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.753 1.621 . . . . 0.0 111.879 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.8 m -113.6 133.89 55.02 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.704 1.201 . . . . 0.0 111.316 -178.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -88.12 161.99 17.0 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.658 1.983 . . . . 0.0 112.684 -178.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.94 -25.2 68.03 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.057 1.343 . . . . 0.0 113.82 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 54.1 p-10 -82.09 1.07 37.68 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 124.832 1.253 . . . . 0.0 113.948 173.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.57 -0.19 88.19 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 125.495 1.521 . . . . 0.0 114.793 -178.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.88 170.37 54.19 Favored Glycine 0 CA--C 1.532 1.13 0 CA-C-N 118.762 1.281 . . . . 0.0 112.745 170.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -129.37 152.71 48.63 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.738 1.215 . . . . 0.0 112.962 177.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 87.6 t -129.54 140.49 48.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 126.642 1.977 . . . . 0.0 109.252 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -129.88 145.33 51.6 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.021 1.328 . . . . 0.0 111.25 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -126.32 109.94 22.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 125.321 1.448 . . . . 0.0 107.965 175.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.27 163.3 41.04 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 124.251 0.929 . . . . 0.0 113.787 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 52.98 48.18 22.99 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.954 1.702 . . . . 0.0 113.932 172.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.3 t -79.77 126.31 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 126.415 1.886 . . . . 0.0 112.241 -178.113 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 86.2 mt -80.73 -36.65 31.8 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.716 1.206 . . . . 0.0 112.3 172.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -158.6 150.03 20.86 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -175.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.5 t -134.11 142.17 41.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 126.24 1.816 . . . . 0.0 109.827 172.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -138.38 147.28 43.24 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.569 1.548 . . . . 0.0 111.493 174.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -117.52 120.74 39.01 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.392 1.477 . . . . 0.0 109.998 176.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -159.47 132.56 6.96 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.262 1.025 . . . . 0.0 112.253 -168.204 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.12 26.41 71.48 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 124.244 0.926 . . . . 0.0 115.404 172.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.98 26.65 64.01 Favored Glycine 0 CA--C 1.541 1.706 0 CA-C-N 118.313 1.056 . . . . 0.0 113.653 -174.115 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.59 159.19 42.89 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.913 1.685 . . . . 0.0 111.466 179.213 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 72.3 t -112.32 142.67 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 123.71 0.804 . . . . 0.0 110.904 171.014 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -125.58 144.3 50.63 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.351 1.86 . . . . 0.0 109.793 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.7 t -137.3 145.34 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 125.534 1.534 . . . . 0.0 111.058 -173.15 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 86.6 m -124.53 128.77 49.44 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.781 1.233 . . . . 0.0 111.307 171.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 37.8 p -94.43 170.69 9.31 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.921 1.288 . . . . 0.0 112.826 177.376 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -58.31 -17.98 23.72 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 175.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -80.06 -0.96 37.82 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.684 1.194 . . . . 0.0 113.329 175.006 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 61.93 11.7 4.36 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.472 1.909 . . . . 0.0 113.888 -162.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -75.01 130.23 38.99 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.373 1.069 . . . . 0.0 111.277 174.154 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -96.87 148.43 22.94 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.425 1.09 . . . . 0.0 112.542 178.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -131.79 154.95 48.58 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.945 1.698 . . . . 0.0 110.453 171.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.81 146.22 35.63 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.05 0.94 . . . . 0.0 112.341 176.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -138.88 87.98 14.0 Favored Pre-proline 0 CA--C 1.545 0.755 0 C-N-CA 125.982 1.713 . . . . 0.0 110.323 -170.358 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -69.4 147.37 65.06 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 123.152 2.568 . . . . 0.0 112.369 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.87 3.39 90.51 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 125.515 1.531 . . . . 0.0 114.853 -177.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 35.3 mt -108.04 162.77 13.73 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 118.902 1.351 . . . . 0.0 113.413 178.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.44 161.05 38.86 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 127.875 2.47 . . . . 0.0 109.929 166.19 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 39.2 mt -72.28 122.25 24.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 O-C-N 120.976 -1.077 . . . . 0.0 109.425 175.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.1 -47.7 3.52 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 124.562 1.077 . . . . 0.0 113.302 -178.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.0 ptt85 -155.92 163.3 39.93 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.558 1.143 . . . . 0.0 112.531 173.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.2 t -126.66 128.38 71.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 123.965 0.906 . . . . 0.0 109.211 166.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -114.22 88.44 2.86 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.655 1.582 . . . . 0.0 110.445 -176.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -69.5 -10.71 59.25 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.394 1.478 . . . . 0.0 112.558 -173.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 62.2 mtt85 -61.02 -27.47 68.35 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.592 1.157 . . . . 0.0 112.222 169.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.7 m -135.16 0.66 2.87 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.585 1.554 . . . . 0.0 113.646 -176.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.96 32.65 73.59 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 124.717 1.151 . . . . 0.0 114.37 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.8 t -102.46 122.9 55.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 118.334 1.067 . . . . 0.0 111.788 -175.213 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.5 mt -97.67 112.54 29.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 125.751 1.62 . . . . 0.0 108.6 169.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.7 t -100.74 124.53 46.5 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 124.339 1.056 . . . . 0.0 111.859 -177.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.8 mt -98.72 149.8 22.46 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.81 1.244 . . . . 0.0 111.997 178.08 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -134.87 161.0 40.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 126.943 2.097 . . . . 0.0 110.528 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -70.83 133.01 46.14 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.205 -0.934 . . . . 0.0 112.101 176.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -74.16 -15.32 61.03 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.831 0.852 . . . . 0.0 113.179 -178.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -85.21 3.07 41.04 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.567 1.321 . . . . 0.0 114.567 165.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.0 m120 48.65 39.75 14.17 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 128.532 2.733 . . . . 0.0 113.668 176.109 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 75.9 mtt85 . . . . . 0 C--O 1.25 1.08 0 C-N-CA 125.039 1.336 . . . . 0.0 113.133 -178.225 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.665 0 N-CA-C 111.822 -0.511 . . . . 0.0 111.822 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -62.18 158.14 41.22 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 124.124 3.216 . . . . 0.0 114.107 -179.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -71.19 166.36 52.63 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 124.367 0.984 . . . . 0.0 114.125 174.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 11.9 t -155.18 160.77 41.15 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.452 1.101 . . . . 0.0 112.799 -177.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.0 ptp -70.7 166.43 20.84 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.546 1.139 . . . . 0.0 113.04 174.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 28.3 p -145.36 165.81 27.4 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.323 1.449 . . . . 0.0 111.843 178.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 5.5 mpp? -67.66 144.88 55.3 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.489 0.716 . . . . 0.0 112.057 175.072 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.44 -177.21 6.08 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.839 1.255 . . . . 0.0 111.982 171.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -128.6 144.29 51.12 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.541 1.536 . . . . 0.0 111.105 164.048 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 25.5 t -100.35 142.45 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.736 1.214 . . . . 0.0 110.363 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 10.5 p -133.79 143.53 38.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 C-N-CA 125.903 1.681 . . . . 0.0 110.797 170.051 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp -138.02 151.19 47.64 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.621 1.568 . . . . 0.0 110.942 176.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 15.5 m -111.16 128.65 55.97 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.073 0.949 . . . . 0.0 110.795 176.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 36.5 mtmt -79.84 164.83 23.3 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 126.292 1.837 . . . . 0.0 112.726 179.093 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.12 -25.73 68.22 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.431 1.093 . . . . 0.0 113.815 174.113 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 44.3 p30 -79.94 -0.47 35.25 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.72 1.208 . . . . 0.0 113.78 175.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.13 -5.46 84.12 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 126.005 1.764 . . . . 0.0 115.642 -179.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.54 170.78 55.11 Favored Glycine 0 CA--C 1.538 1.505 0 CA-C-N 118.976 1.388 . . . . 0.0 113.308 171.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -128.59 154.26 46.38 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.913 1.285 . . . . 0.0 113.11 -179.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 46.1 t -133.92 143.49 38.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 126.276 1.831 . . . . 0.0 109.466 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 17.5 mp0 -130.27 150.86 51.32 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.018 0.927 . . . . 0.0 112.838 -175.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -133.01 107.31 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 125.56 1.544 . . . . 0.0 108.612 173.067 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.74 156.87 39.06 Favored Glycine 0 CA--C 1.531 1.036 0 C-N-CA 124.113 0.863 . . . . 0.0 114.03 -179.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 52.9 46.19 27.26 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 126.226 1.811 . . . . 0.0 113.586 174.213 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 11.1 p -67.93 130.39 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 124.145 0.978 . . . . 0.0 111.325 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 86.6 mt -86.88 -33.3 19.81 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.395 1.478 . . . . 0.0 111.866 172.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 70.8 tt0 -155.37 143.16 19.82 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.198 0.999 . . . . 0.0 112.157 178.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 7.6 p -130.83 138.43 53.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.655 1.582 . . . . 0.0 109.412 171.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 42.9 mtt85 -135.8 128.76 31.35 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.98 1.312 . . . . 0.0 110.578 -170.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -105.76 107.82 19.01 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.083 1.353 . . . . 0.0 109.328 172.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -158.32 146.98 18.89 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.16 0.984 . . . . 0.0 111.724 -172.385 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 64.52 23.92 69.01 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 124.443 1.02 . . . . 0.0 115.406 174.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.9 19.85 76.96 Favored Glycine 0 CA--C 1.535 1.307 0 CA-C-N 118.364 1.082 . . . . 0.0 114.239 -173.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.71 167.26 22.56 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.987 1.715 . . . . 0.0 112.541 -177.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 81.3 t -114.46 137.47 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 123.43 0.692 . . . . 0.0 111.555 164.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -114.61 151.88 32.77 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.564 1.546 . . . . 0.0 111.243 169.099 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 28.4 m -136.3 149.42 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 125.598 1.559 . . . . 0.0 111.102 176.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 28.0 m -132.38 135.29 46.04 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 126.033 1.733 . . . . 0.0 110.812 -178.36 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 23.1 p -120.08 166.38 13.47 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.989 0.916 . . . . 0.0 113.303 -177.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -65.2 -9.01 19.93 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 174.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -84.48 11.2 9.06 Favored 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 124.942 1.297 . . . . 0.0 113.159 172.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 61.07 11.4 3.39 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 127.165 2.186 . . . . 0.0 114.812 -170.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -85.83 148.98 25.56 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.088 1.355 . . . . 0.0 112.03 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -128.53 151.51 49.36 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.266 1.026 . . . . 0.0 112.376 166.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -131.03 157.49 42.88 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.222 1.409 . . . . 0.0 110.633 172.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -136.49 141.69 43.5 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.717 1.207 . . . . 0.0 111.938 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -139.27 90.01 11.96 Favored Pre-proline 0 CA--C 1.544 0.736 0 C-N-CA 125.675 1.59 . . . . 0.0 110.654 -172.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -66.19 146.83 82.66 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 122.945 2.43 . . . . 0.0 112.221 177.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.29 2.33 90.57 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 125.182 1.372 . . . . 0.0 115.428 -177.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 28.8 mt -99.26 163.65 12.46 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.128 1.464 . . . . 0.0 113.635 175.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -144.8 160.08 41.83 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 127.408 2.283 . . . . 0.0 110.587 164.267 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 29.1 mt -73.42 122.1 25.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 O-C-N 121.239 -0.913 . . . . 0.0 109.249 174.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.3 -36.05 3.97 Favored Glycine 0 CA--C 1.532 1.104 0 C-N-CA 124.4 1.0 . . . . 0.0 114.368 -177.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -153.7 145.05 23.06 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.669 1.588 . . . . 0.0 110.847 -173.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 39.9 t -136.96 105.68 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 125.987 1.715 . . . . 0.0 107.927 174.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -113.37 101.02 8.99 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.322 1.049 . . . . 0.0 110.421 -173.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -75.07 -16.48 60.57 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.196 1.398 . . . . 0.0 112.781 -173.261 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 25.3 mtt85 -64.81 -40.51 95.34 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 118.931 0.787 . . . . 0.0 111.319 172.146 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 55.2 m -93.34 -20.15 20.65 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.263 1.425 . . . . 0.0 113.614 175.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.86 31.59 62.06 Favored Glycine 0 CA--C 1.533 1.21 0 C-N-CA 124.391 0.996 . . . . 0.0 113.255 -171.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 94.6 t -114.65 130.99 68.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.561 1.144 . . . . 0.0 112.194 -171.212 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 14.3 mt -103.93 120.49 54.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 126.414 1.885 . . . . 0.0 108.482 169.023 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 15.8 m -104.44 121.1 42.72 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.256 1.022 . . . . 0.0 111.149 175.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 25.8 mt -91.05 149.37 21.85 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.29 1.036 . . . . 0.0 111.053 171.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -133.81 157.86 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 126.1 1.76 . . . . 0.0 110.621 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -70.32 130.56 42.3 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.729 -0.607 . . . . 0.0 110.653 173.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -69.23 -33.19 72.91 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -166.127 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -150.5 150.03 30.74 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.001 1.72 . . . . 0.0 111.842 168.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 -138.69 30.0 2.33 Favored 'General case' 0 CA--C 1.558 1.276 0 C-N-CA 126.788 2.035 . . . . 0.0 110.983 165.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 . . . . . 0 C--O 1.253 1.25 0 C-N-CA 125.378 1.471 . . . . 0.0 113.175 -175.561 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.618 0 CA-C-O 119.736 -0.48 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -60.43 152.93 64.06 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 124.355 3.37 . . . . 0.0 114.354 -179.214 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -82.1 -11.26 82.69 Favored Glycine 0 CA--C 1.54 1.637 0 C-N-CA 124.321 0.962 . . . . 0.0 115.377 177.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 20.2 m 56.19 25.93 9.73 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 126.002 1.721 . . . . 0.0 114.844 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.6 mtp -69.98 137.12 51.17 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.936 1.294 . . . . 0.0 112.357 179.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 29.9 p -154.47 155.58 35.16 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.203 1.401 . . . . 0.0 112.063 173.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -77.62 -50.3 12.79 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.618 1.167 . . . . 0.0 110.804 174.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -155.27 169.76 23.45 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.39 1.876 . . . . 0.0 110.749 167.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -140.41 129.26 23.22 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.739 1.616 . . . . 0.0 111.412 177.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 20.2 t -99.71 144.54 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 125.338 1.455 . . . . 0.0 110.664 -178.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.8 p -137.2 139.69 43.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 125.263 1.425 . . . . 0.0 111.14 174.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 pp -153.55 162.45 41.25 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.625 1.57 . . . . 0.0 112.125 -177.316 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.2 m -122.59 126.35 47.53 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.729 1.212 . . . . 0.0 109.821 168.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -71.87 163.42 27.86 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.268 1.427 . . . . 0.0 112.166 179.057 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.66 -23.8 67.52 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 175.099 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 43.4 p30 -78.84 0.8 25.69 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 124.903 1.281 . . . . 0.0 113.992 172.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.89 -3.65 85.87 Favored Glycine 0 CA--C 1.542 1.753 0 C-N-CA 126.137 1.827 . . . . 0.0 115.019 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.55 124.76 7.7 Favored Glycine 0 CA--C 1.533 1.179 0 CA-C-N 119.282 1.541 . . . . 0.0 113.135 -179.159 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.7 mmm-85 -72.98 141.73 47.76 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.923 1.289 . . . . 0.0 111.443 169.559 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.7 t -141.37 138.81 32.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 125.629 1.572 . . . . 0.0 110.626 -176.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.3 mp0 -128.98 147.34 50.85 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.313 1.445 . . . . 0.0 111.115 174.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 54.0 mt -133.04 118.57 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 125.407 1.483 . . . . 0.0 108.725 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.87 168.12 31.27 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 124.554 1.073 . . . . 0.0 114.228 175.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 54.6 41.62 31.82 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.764 1.626 . . . . 0.0 114.112 174.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 74.8 t -72.83 130.78 35.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 125.511 1.524 . . . . 0.0 112.172 -176.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 97.5 mt -98.21 -35.51 10.34 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.214 1.406 . . . . 0.0 113.276 174.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.2 tt0 -156.92 143.81 18.55 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.125 0.97 . . . . 0.0 111.661 -171.256 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.3 t -137.45 137.81 45.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 126.17 1.788 . . . . 0.0 109.276 174.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -133.84 146.15 50.36 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.797 1.639 . . . . 0.0 111.712 -179.248 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -121.8 138.65 54.29 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.33 1.452 . . . . 0.0 110.321 173.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -149.81 120.05 7.3 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.589 0.755 . . . . 0.0 111.049 -177.056 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.67 -82.35 0.08 OUTLIER Glycine 0 CA--C 1.535 1.325 0 C-N-CA 125.284 1.421 . . . . 0.0 113.439 -178.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -149.42 30.36 1.17 Allowed Glycine 0 CA--C 1.535 1.291 0 C-N-CA 126.535 2.017 . . . . 0.0 113.278 177.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.21 155.09 48.05 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.71 1.604 . . . . 0.0 111.804 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.7 t -121.05 140.01 46.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 C-N-CA 124.812 1.245 . . . . 0.0 111.558 175.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -120.76 147.48 45.26 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.977 2.111 . . . . 0.0 109.339 174.766 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -149.9 143.49 17.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 123.674 0.79 . . . . 0.0 112.598 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 61.3 m -127.46 145.48 50.82 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 126.326 1.85 . . . . 0.0 111.697 -175.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 43.6 p -125.49 166.35 16.8 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.887 1.275 . . . . 0.0 113.707 -169.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.5 tt -52.53 -30.28 29.62 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.663 1.985 . . . . 0.0 113.955 173.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -74.51 2.2 10.17 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.251 1.42 . . . . 0.0 113.803 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.1 t0 60.79 18.71 8.9 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.4 1.88 . . . . 0.0 113.095 -167.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -88.67 144.16 26.46 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.901 1.281 . . . . 0.0 110.896 174.014 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -136.25 137.36 40.69 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.103 1.361 . . . . 0.0 111.509 -175.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 61.0 m-70 -129.17 152.11 49.11 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.945 1.698 . . . . 0.0 111.332 -169.228 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -137.34 141.1 41.82 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.74 1.216 . . . . 0.0 111.951 176.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -140.14 91.99 9.79 Favored Pre-proline 0 CA--C 1.543 0.676 0 C-N-CA 125.496 1.518 . . . . 0.0 110.32 -173.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -68.99 148.94 71.16 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 123.04 2.493 . . . . 0.0 111.901 175.131 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.06 -2.95 85.79 Favored Glycine 0 CA--C 1.535 1.331 0 C-N-CA 125.43 1.49 . . . . 0.0 114.894 -175.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 40.3 mt -104.67 162.32 13.39 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 118.843 1.321 . . . . 0.0 113.7 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.03 158.07 45.07 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 127.488 2.315 . . . . 0.0 109.915 164.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 48.7 mt -71.95 114.97 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 174.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.54 -50.87 2.64 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 124.333 0.968 . . . . 0.0 113.827 -172.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 65.6 ttt180 -151.3 145.91 25.66 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.801 1.24 . . . . 0.0 112.004 -173.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.8 t -138.47 115.84 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 125.722 1.609 . . . . 0.0 109.33 -178.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -106.43 101.51 10.97 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.31 1.044 . . . . 0.0 110.483 178.536 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -67.56 -16.4 64.17 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.022 -1.049 . . . . 0.0 112.305 176.445 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 44.8 mtm105 -63.82 -20.01 65.46 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.731 2.012 . . . . 0.0 114.061 170.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.0 t -141.97 -13.13 0.84 Allowed 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 114.7 1.371 . . . . 0.0 114.7 -175.225 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.67 15.7 81.36 Favored Glycine 0 CA--C 1.536 1.344 0 O-C-N 120.643 -1.285 . . . . 0.0 113.58 -174.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.1 t -82.5 132.49 31.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 CA-C-N 118.653 1.226 . . . . 0.0 111.083 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 94.7 mt -120.52 109.17 24.78 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 C-N-CA 125.93 1.692 . . . . 0.0 108.444 174.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.1 m -96.28 120.75 37.14 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 124.589 1.155 . . . . 0.0 110.674 178.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.3 mt -91.11 151.08 21.14 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.575 0.75 . . . . 0.0 111.087 170.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -133.16 153.83 38.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 125.22 1.408 . . . . 0.0 111.156 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.1 mp0 -65.27 125.11 24.02 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.92 0.888 . . . . 0.0 109.77 173.266 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -65.51 -30.31 71.06 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 114.452 1.279 . . . . 0.0 114.452 -158.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -137.83 148.58 45.58 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 126.076 1.75 . . . . 0.0 110.602 170.106 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -127.52 25.67 6.05 Favored 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 124.776 1.23 . . . . 0.0 112.92 -170.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 90.3 mtt-85 . . . . . 0 C--O 1.253 1.266 0 C-N-CA 126.401 1.88 . . . . 0.0 113.222 -174.088 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.548 0 CA-C-O 119.955 -0.359 . . . . 0.0 112.253 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -62.34 147.96 94.07 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 123.717 2.945 . . . . 0.0 114.304 -178.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . 166.41 152.09 7.11 Favored Glycine 0 CA--C 1.533 1.187 0 C-N-CA 125.435 1.493 . . . . 0.0 112.587 177.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 31.5 t -71.33 -42.85 68.03 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.278 0.631 . . . . 0.0 112.207 178.057 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 74.0 mmm 54.6 -160.9 0.15 Allowed 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 127.063 2.145 . . . . 0.0 113.951 175.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 4.8 t 61.4 -175.68 0.12 Allowed 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 126.514 1.925 . . . . 0.0 114.048 -179.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 44.8 mtm 62.08 157.46 0.05 Allowed 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 128.176 2.59 . . . . 0.0 115.699 -175.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -97.02 179.73 4.83 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.75 1.62 . . . . 0.0 112.028 175.375 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -118.0 150.92 38.47 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.822 1.249 . . . . 0.0 112.031 161.013 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 74.4 t -100.6 144.88 12.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 124.902 1.281 . . . . 0.0 110.082 171.08 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 14.4 p -132.36 143.23 40.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 125.307 1.443 . . . . 0.0 111.634 168.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 pp -148.79 160.93 42.74 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.45 1.5 . . . . 0.0 112.588 -179.386 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 19.5 m -117.51 130.24 56.31 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.212 1.405 . . . . 0.0 110.521 175.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -78.41 164.14 25.04 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 126.076 1.75 . . . . 0.0 112.331 178.329 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.18 -25.06 67.56 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 175.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -79.03 -2.22 39.27 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.843 1.257 . . . . 0.0 113.729 173.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.32 -4.52 85.48 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 125.587 1.565 . . . . 0.0 115.6 -179.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.65 153.7 44.49 Favored Glycine 0 CA--C 1.535 1.296 0 CA-C-N 118.938 1.369 . . . . 0.0 112.151 172.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 92.3 mtm-85 -111.36 152.46 27.26 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.55 1.14 . . . . 0.0 113.037 -179.054 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 85.7 t -135.72 141.0 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 126.065 1.746 . . . . 0.0 109.867 -177.094 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -125.07 145.97 49.67 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.364 1.466 . . . . 0.0 111.709 176.09 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 50.5 mt -130.32 110.69 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 125.209 1.404 . . . . 0.0 108.444 177.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.16 154.89 33.92 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 123.978 0.799 . . . . 0.0 114.059 -179.261 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 52.28 54.46 10.69 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.7 2.0 . . . . 0.0 113.671 171.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 28.4 m -79.14 135.84 24.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 C-N-CA 124.257 1.023 . . . . 0.0 112.199 178.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 91.3 mt -82.02 -35.0 29.31 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.998 1.319 . . . . 0.0 112.082 170.066 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -158.97 142.11 14.62 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 118.465 0.575 . . . . 0.0 112.264 -169.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 3.5 t -140.38 135.43 35.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 125.209 1.403 . . . . 0.0 109.011 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.44 142.56 16.96 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 -178.23 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -96.14 122.66 39.22 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.735 1.614 . . . . 0.0 110.07 173.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -154.36 134.38 13.1 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.241 1.416 . . . . 0.0 111.296 -174.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 64.91 24.69 70.22 Favored Glycine 0 CA--C 1.537 1.445 0 N-CA-C 115.409 0.924 . . . . 0.0 115.409 174.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.71 21.13 72.6 Favored Glycine 0 CA--C 1.538 1.498 0 CA-C-N 118.261 1.031 . . . . 0.0 114.51 -174.424 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.36 165.73 26.63 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.463 1.905 . . . . 0.0 110.825 178.244 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 68.1 t -109.12 139.61 31.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 C-N-CA 123.542 0.737 . . . . 0.0 111.412 166.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 65.1 mtp180 -113.16 148.67 34.92 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.852 1.661 . . . . 0.0 111.454 168.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 3.0 t -135.69 140.36 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 126.36 1.864 . . . . 0.0 109.66 -177.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 39.6 m -122.49 132.97 54.59 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.918 1.287 . . . . 0.0 110.231 174.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 33.5 p -103.34 165.44 11.03 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.248 1.419 . . . . 0.0 112.58 178.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -58.93 -18.02 29.74 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 176.115 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -79.31 -1.53 37.22 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.188 1.395 . . . . 0.0 113.423 174.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 26.0 t0 60.9 17.21 7.6 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.953 1.701 . . . . 0.0 113.915 -165.184 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -80.58 136.33 36.23 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.716 1.206 . . . . 0.0 110.257 166.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -112.34 154.01 26.36 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.865 0.866 . . . . 0.0 113.102 174.338 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -130.77 150.92 51.72 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.243 1.817 . . . . 0.0 110.075 176.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.24 139.79 28.87 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.542 0.737 . . . . 0.0 112.435 -175.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -141.11 96.51 7.2 Favored Pre-proline 0 CA--C 1.543 0.702 0 C-N-CA 124.859 1.263 . . . . 0.0 111.981 -168.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -60.56 144.2 99.51 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 123.749 2.966 . . . . 0.0 113.51 174.559 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.34 1.75 90.48 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 125.076 1.322 . . . . 0.0 115.151 177.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 44.2 mt -100.01 161.47 13.59 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 118.789 1.294 . . . . 0.0 113.591 176.365 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -144.15 160.19 41.36 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 127.857 2.463 . . . . 0.0 109.578 164.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 49.4 mt -70.92 123.67 25.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 O-C-N 120.852 -1.155 . . . . 0.0 109.534 176.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.6 -34.56 4.95 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 125.032 1.301 . . . . 0.0 114.194 -178.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 74.3 ttt-85 -152.81 148.07 26.77 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 118.52 1.16 . . . . 0.0 112.551 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 45.4 t -133.71 128.84 54.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 126.746 2.018 . . . . 0.0 108.56 172.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -135.78 105.24 6.05 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 125.045 1.338 . . . . 0.0 111.25 -172.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -81.5 -16.03 53.1 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.455 1.102 . . . . 0.0 113.533 -178.081 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -73.87 -24.66 59.77 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.347 1.059 . . . . 0.0 112.384 177.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 49.5 m -121.61 -10.52 8.79 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.445 1.498 . . . . 0.0 114.798 176.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.32 43.09 32.76 Favored Glycine 0 CA--C 1.536 1.376 0 C-N-CA 124.448 1.023 . . . . 0.0 113.342 -179.334 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 86.5 t -125.56 137.28 58.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.866 1.266 . . . . 0.0 111.314 -171.313 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 81.5 mt -119.34 136.87 55.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 126.714 2.006 . . . . 0.0 108.436 169.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 29.9 t -128.37 133.73 48.69 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.186 0.994 . . . . 0.0 111.574 -177.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 24.6 mt -102.1 150.99 22.69 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.761 1.224 . . . . 0.0 112.257 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -132.43 158.13 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 126.519 1.927 . . . . 0.0 110.242 178.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -72.32 130.8 41.62 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.504 -0.747 . . . . 0.0 110.914 175.119 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -78.91 -3.6 45.6 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 -170.216 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -85.52 6.72 25.82 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.901 1.68 . . . . 0.0 115.49 177.366 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -89.56 16.23 8.1 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 126.76 2.024 . . . . 0.0 114.884 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 77.2 mtt-85 . . . . . 0 C--O 1.255 1.391 0 C-N-CA 125.968 1.707 . . . . 0.0 112.814 -178.63 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.614 0 N-CA-C 111.704 -0.559 . . . . 0.0 111.704 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.18 159.45 53.11 Favored 'Trans proline' 0 CA--C 1.537 0.666 0 C-N-CA 123.347 2.698 . . . . 0.0 112.5 178.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -75.49 66.98 2.27 Favored Glycine 0 N--CA 1.473 1.147 0 C-N-CA 124.95 1.262 . . . . 0.0 113.433 177.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 28.6 m 61.29 -10.94 0.06 Allowed 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 127.914 2.486 . . . . 0.0 117.308 -177.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.7 ptm -74.93 169.3 18.23 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.455 1.502 . . . . 0.0 111.878 171.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 29.4 p -142.44 152.16 42.49 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.089 0.956 . . . . 0.0 112.282 178.124 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -95.76 159.87 14.77 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.243 1.417 . . . . 0.0 113.348 -173.179 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.34 -174.65 1.08 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.505 1.522 . . . . 0.0 113.007 174.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -134.4 143.22 47.48 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.671 1.588 . . . . 0.0 111.872 167.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.8 t -99.66 142.6 14.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 125.89 1.676 . . . . 0.0 110.134 173.323 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.5 p -139.01 140.28 38.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.939 1.295 . . . . 0.0 111.578 173.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 pp -143.11 161.52 37.97 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.186 1.395 . . . . 0.0 112.481 -178.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.0 m -118.71 125.75 50.37 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.036 1.335 . . . . 0.0 109.407 167.064 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -74.24 166.11 24.02 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.915 1.286 . . . . 0.0 112.241 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.91 -24.89 67.24 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.957 0.903 . . . . 0.0 113.117 174.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -77.42 -4.96 48.03 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.318 1.447 . . . . 0.0 114.103 172.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.28 -4.31 85.8 Favored Glycine 0 CA--C 1.541 1.702 0 C-N-CA 125.966 1.746 . . . . 0.0 115.545 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -79.78 144.96 26.97 Favored Glycine 0 CA--C 1.534 1.27 0 CA-C-N 118.456 1.128 . . . . 0.0 112.066 173.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 53.8 mtm180 -100.02 154.74 18.16 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 118.406 1.103 . . . . 0.0 113.478 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 56.0 t -135.24 142.03 41.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 125.728 1.611 . . . . 0.0 109.823 176.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -128.61 137.54 51.74 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.469 1.508 . . . . 0.0 111.514 178.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 51.4 mt -132.57 102.56 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 125.946 1.699 . . . . 0.0 108.287 -178.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.91 177.15 54.44 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 123.786 0.707 . . . . 0.0 112.384 168.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 59.07 29.0 18.45 Favored 'General case' 0 CA--C 1.553 1.069 0 N-CA-C 114.325 1.232 . . . . 0.0 114.325 172.265 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.3 p -79.37 133.88 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 125.686 1.595 . . . . 0.0 112.782 -177.435 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 79.6 mt -97.96 -32.37 11.7 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.429 1.492 . . . . 0.0 113.065 173.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -155.83 146.77 22.27 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 119.161 0.892 . . . . 0.0 112.654 -175.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.5 t -136.98 139.64 44.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 126.101 1.76 . . . . 0.0 109.659 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -140.16 135.47 32.49 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.328 1.051 . . . . 0.0 112.6 179.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -96.79 114.07 25.68 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.937 1.295 . . . . 0.0 109.142 162.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -157.02 134.29 10.5 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.888 0.875 . . . . 0.0 112.096 -169.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.32 25.89 68.9 Favored Glycine 0 CA--C 1.54 1.642 0 O-C-N 120.905 -1.122 . . . . 0.0 115.246 172.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.81 16.56 70.0 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 124.778 1.18 . . . . 0.0 115.197 -177.04 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.61 155.88 45.02 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.96 1.304 . . . . 0.0 111.465 178.008 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.4 t -98.81 139.06 21.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 O-C-N 122.141 -0.35 . . . . 0.0 110.66 164.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 67.5 mtt85 -123.25 150.78 43.04 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.91 1.684 . . . . 0.0 111.242 176.215 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.9 t -138.51 135.35 43.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 125.149 1.379 . . . . 0.0 110.012 -172.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 91.4 m -123.53 125.75 45.45 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.552 1.141 . . . . 0.0 111.162 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 43.0 p -98.53 165.79 11.66 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.483 1.113 . . . . 0.0 113.051 -178.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 pp -65.82 -14.22 61.0 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 114.274 1.212 . . . . 0.0 114.274 173.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -78.73 0.73 25.61 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.381 1.072 . . . . 0.0 113.021 173.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 62.07 11.18 4.13 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 127.057 2.143 . . . . 0.0 114.132 -167.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -79.87 141.48 36.1 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.518 1.127 . . . . 0.0 110.918 170.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -122.46 148.94 44.54 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.432 1.493 . . . . 0.0 112.246 -177.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 67.9 m-70 -130.11 152.73 49.24 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 126.049 1.739 . . . . 0.0 110.958 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -148.62 138.47 22.2 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.27 1.028 . . . . 0.0 112.292 -176.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -143.26 97.23 5.68 Favored Pre-proline 0 CA--C 1.546 0.82 0 C-N-CA 125.22 1.408 . . . . 0.0 111.443 -170.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -61.43 148.32 93.27 Favored 'Trans proline' 0 CA--C 1.534 0.518 0 C-N-CA 123.773 2.982 . . . . 0.0 114.201 175.383 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.66 3.7 90.25 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 124.968 1.27 . . . . 0.0 115.121 176.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 48.6 mt -100.97 162.97 12.52 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 118.716 1.258 . . . . 0.0 113.186 177.136 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.75 159.64 41.62 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 127.798 2.439 . . . . 0.0 109.835 162.056 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 82.6 mt -73.08 125.07 31.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 O-C-N 120.914 -1.116 . . . . 0.0 109.146 176.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.59 -36.72 4.21 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 125.176 1.369 . . . . 0.0 114.869 -173.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 29.9 mtm180 -147.78 158.41 44.01 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 118.758 1.279 . . . . 0.0 113.098 177.199 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.5 t -131.58 120.57 45.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 125.377 1.471 . . . . 0.0 108.162 159.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -123.09 84.91 2.34 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 122.471 1.129 . . . . 0.0 111.052 -165.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.407 ' H ' HD22 ' A' ' 53' ' ' LEU . 2.0 mm? -70.54 -13.62 62.18 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.744 1.617 . . . . 0.0 112.848 -171.397 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.6 mtp-105 -62.24 -25.17 67.67 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.109 1.764 . . . . 0.0 112.825 170.087 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 89.4 p -138.14 -8.85 1.54 Allowed 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -176.202 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.81 32.31 53.96 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 124.2 0.905 . . . . 0.0 113.543 -177.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.7 t -107.44 139.27 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.672 1.189 . . . . 0.0 111.337 -178.44 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 94.1 mt -118.65 113.62 42.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 126.354 1.861 . . . . 0.0 107.834 174.214 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.4 m -96.74 135.82 38.15 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.505 0.722 . . . . 0.0 110.56 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.2 mp -108.47 149.49 28.73 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.86 1.664 . . . . 0.0 110.545 174.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -136.54 161.81 36.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 126.743 2.017 . . . . 0.0 111.175 -176.212 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -70.26 132.99 46.57 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.23 -0.918 . . . . 0.0 111.274 174.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.28 -4.45 33.25 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 -174.129 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -132.61 149.1 52.36 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.957 1.703 . . . . 0.0 111.922 174.424 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -126.76 45.11 2.75 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.758 1.623 . . . . 0.0 111.024 -176.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 . . . . . 0 C--O 1.251 1.154 0 C-N-CA 126.577 1.951 . . . . 0.0 113.183 -176.776 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.504 0 N-CA-C 112.113 -0.395 . . . . 0.0 112.113 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -68.18 157.66 60.84 Favored 'Trans proline' 0 CA--C 1.543 0.964 0 C-N-CA 123.883 3.055 . . . . 0.0 112.847 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -78.01 159.53 47.46 Favored Glycine 0 CA--C 1.539 1.566 0 C-N-CA 124.811 1.196 . . . . 0.0 113.45 173.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 28.4 t -76.13 154.05 35.76 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.977 0.911 . . . . 0.0 112.825 178.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.8 ppp? -127.54 10.73 6.72 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 126.512 1.925 . . . . 0.0 112.856 171.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 62.4 m -68.43 167.52 14.56 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.172 1.389 . . . . 0.0 113.453 -177.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -60.67 151.05 30.18 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.675 1.19 . . . . 0.0 112.388 176.457 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.83 175.21 5.21 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.258 1.423 . . . . 0.0 114.244 -175.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -130.48 127.37 39.06 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.497 1.919 . . . . 0.0 111.314 175.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 27.3 t -99.39 145.62 10.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 125.508 1.523 . . . . 0.0 110.373 -176.319 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.8 p -140.21 143.51 29.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.232 1.013 . . . . 0.0 112.208 175.069 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 pp -150.91 157.53 43.02 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.761 1.625 . . . . 0.0 112.668 -178.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 18.2 m -112.4 132.66 54.91 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.658 1.183 . . . . 0.0 110.873 177.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 35.3 mtmt -80.07 163.03 24.48 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 126.389 1.876 . . . . 0.0 112.748 177.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.5 -25.45 68.0 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 174.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 41.3 p30 -80.03 -1.34 39.36 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.389 1.076 . . . . 0.0 113.824 175.14 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.21 -7.42 82.11 Favored Glycine 0 CA--C 1.541 1.7 0 C-N-CA 125.927 1.727 . . . . 0.0 115.572 179.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.65 171.67 54.21 Favored Glycine 0 CA--C 1.534 1.248 0 CA-C-N 118.677 1.239 . . . . 0.0 113.076 171.092 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -128.94 153.98 47.0 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.814 1.245 . . . . 0.0 113.015 -178.136 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 97.5 t -131.6 141.57 45.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 126.384 1.874 . . . . 0.0 109.41 -178.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -131.05 142.66 50.32 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.305 1.442 . . . . 0.0 111.537 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 25.6 mt -134.9 106.58 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.856 1.262 . . . . 0.0 109.558 -178.348 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.17 175.81 51.49 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 123.688 0.661 . . . . 0.0 113.483 173.189 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 58.28 32.67 22.34 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.229 1.412 . . . . 0.0 114.708 168.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 35.4 m -76.98 135.81 25.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 O-C-N 121.004 -1.06 . . . . 0.0 113.268 -176.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 74.6 mt -82.16 -37.22 26.49 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.231 1.013 . . . . 0.0 111.805 169.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -159.48 148.51 18.07 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.575 0.75 . . . . 0.0 111.752 -176.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 40.0 t -130.48 138.1 54.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 127.293 2.237 . . . . 0.0 108.698 172.008 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -136.81 133.23 35.7 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.547 1.539 . . . . 0.0 111.491 -178.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.85 148.5 25.35 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.018 0.927 . . . . 0.0 110.801 162.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -142.9 -173.13 3.81 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.653 1.581 . . . . 0.0 111.067 174.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.74 83.08 0.05 OUTLIER Glycine 0 CA--C 1.531 1.087 0 C-N-CA 125.726 1.631 . . . . 0.0 113.658 -178.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.54 21.24 44.84 Favored Glycine 0 CA--C 1.532 1.123 0 C-N-CA 125.802 1.668 . . . . 0.0 115.445 178.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -158.63 165.55 34.18 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.808 1.804 . . . . 0.0 113.637 176.308 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 75.6 t -117.92 144.84 24.86 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 124.861 1.264 . . . . 0.0 110.948 164.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -130.21 147.63 51.96 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 127.35 2.26 . . . . 0.0 110.444 178.436 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -154.05 145.79 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 123.733 0.813 . . . . 0.0 112.274 -173.505 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 33.3 m -132.15 134.88 45.93 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.754 1.222 . . . . 0.0 112.51 -175.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 29.8 p -91.5 164.19 13.89 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 125.279 1.432 . . . . 0.0 113.851 179.002 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -67.27 -15.51 63.73 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 173.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -94.85 20.74 8.39 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.362 1.465 . . . . 0.0 112.522 170.071 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 62.38 18.62 10.45 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 127.877 2.471 . . . . 0.0 115.472 173.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -81.76 126.49 31.88 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.024 -1.048 . . . . 0.0 110.683 173.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -98.84 142.28 30.57 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.734 1.214 . . . . 0.0 111.398 176.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -134.87 151.38 50.85 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.033 1.333 . . . . 0.0 110.9 177.104 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -147.43 141.72 26.26 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.389 1.075 . . . . 0.0 112.336 -178.412 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -142.23 95.9 6.6 Favored Pre-proline 0 CA--C 1.548 0.872 0 C-N-CA 125.302 1.441 . . . . 0.0 111.137 -170.249 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -64.29 149.04 90.95 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 123.271 2.648 . . . . 0.0 113.069 174.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.6 0.36 89.89 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 125.915 1.721 . . . . 0.0 115.023 178.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 37.0 mt -101.49 164.49 11.74 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.188 1.395 . . . . 0.0 114.112 179.244 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.76 160.56 40.52 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 128.625 2.77 . . . . 0.0 110.135 164.255 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 46.1 mt -73.62 120.19 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 O-C-N 121.043 -1.036 . . . . 0.0 109.355 175.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.73 -43.61 2.86 Favored Glycine 0 N--CA 1.475 1.253 0 C-N-CA 124.759 1.171 . . . . 0.0 114.464 -173.05 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 74.9 ttt-85 -149.42 143.15 25.53 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.704 1.202 . . . . 0.0 111.178 -177.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 41.2 t -131.59 126.15 57.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.368 1.467 . . . . 0.0 108.912 177.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -125.94 106.22 9.48 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.54 1.536 . . . . 0.0 110.29 -167.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -81.74 -11.19 59.13 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.999 0.92 . . . . 0.0 112.743 -178.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 44.1 mtm105 -80.65 -43.43 20.45 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.041 1.336 . . . . 0.0 111.008 176.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 10.8 t -99.72 -18.96 17.0 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.276 1.43 . . . . 0.0 114.136 179.164 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.08 17.1 72.95 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 124.833 1.206 . . . . 0.0 114.268 -175.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 74.7 t -87.6 140.42 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 125.066 1.346 . . . . 0.0 112.396 -175.246 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 88.2 mt -120.65 105.84 17.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 126.626 1.97 . . . . 0.0 108.026 168.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 15.5 m -93.02 119.65 32.5 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.262 1.025 . . . . 0.0 110.37 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 31.2 mt -91.57 147.28 23.13 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 123.901 0.88 . . . . 0.0 111.011 171.308 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -135.44 161.35 39.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 126.12 1.768 . . . . 0.0 110.228 -179.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -70.64 138.23 50.56 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.339 -0.85 . . . . 0.0 111.79 175.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -92.06 -13.21 31.24 Favored 'General case' 0 N--CA 1.482 1.139 0 O-C-N 121.584 -0.697 . . . . 0.0 112.342 162.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -75.1 178.65 5.53 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.907 1.683 . . . . 0.0 112.947 171.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 58.8 28.27 17.17 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 126.426 1.89 . . . . 0.0 115.686 169.198 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 88.9 mmt-85 . . . . . 0 C--O 1.253 1.24 0 C-N-CA 125.142 1.377 . . . . 0.0 112.227 169.591 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.42 0 CA-C-O 119.39 -0.672 . . . . 0.0 111.844 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -70.62 160.86 48.07 Favored 'Trans proline' 0 CA--C 1.546 1.101 0 C-N-CA 123.842 3.028 . . . . 0.0 113.025 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 80.39 163.92 29.62 Favored Glycine 0 CA--C 1.539 1.581 0 C-N-CA 124.753 1.168 . . . . 0.0 114.642 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 19.6 m 61.39 -19.77 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 128.255 2.622 . . . . 0.0 117.406 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.4 ptp -152.47 159.04 43.39 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.947 2.099 . . . . 0.0 111.301 178.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 28.5 p -158.31 164.21 36.62 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.593 1.557 . . . . 0.0 112.012 176.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 5.3 mpp? -69.2 148.92 49.18 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.328 0.651 . . . . 0.0 111.528 168.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.435 ' H ' ' HG ' ' B' ' 53' ' ' LEU . . . -74.81 172.61 11.88 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.088 0.955 . . . . 0.0 112.618 177.214 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -131.25 135.06 47.02 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 125.588 1.555 . . . . 0.0 110.809 168.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 85.5 t -99.91 144.12 12.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 125.413 1.485 . . . . 0.0 110.117 -174.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -138.21 141.46 37.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 125.144 1.378 . . . . 0.0 111.654 173.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 pp -149.77 164.13 36.11 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.178 1.791 . . . . 0.0 111.111 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.8 m -127.89 129.63 47.19 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.123 0.969 . . . . 0.0 111.242 178.183 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -75.63 165.18 25.46 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.491 1.516 . . . . 0.0 112.228 -179.156 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.95 -25.25 67.49 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 174.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -76.43 -2.53 32.46 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 125.406 1.483 . . . . 0.0 114.104 172.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.93 -4.09 83.8 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 125.295 1.426 . . . . 0.0 115.497 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -82.8 139.0 18.95 Favored Glycine 0 CA--C 1.529 0.926 0 CA-C-N 118.843 1.322 . . . . 0.0 112.776 174.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 64.1 mtm-85 -83.15 161.17 21.68 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 177.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 67.3 t -133.75 141.41 44.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 126.245 1.818 . . . . 0.0 108.826 166.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.2 mp0 -131.37 146.46 52.29 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.394 1.478 . . . . 0.0 111.655 177.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 25.6 mt -133.63 118.43 30.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.998 1.319 . . . . 0.0 108.872 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.43 155.71 27.35 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 123.706 0.669 . . . . 0.0 114.264 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 53.19 47.77 23.67 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.446 1.899 . . . . 0.0 114.623 168.609 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 m -75.34 138.15 21.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 O-C-N 121.484 -0.76 . . . . 0.0 111.938 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 80.2 mt -85.07 -33.59 22.41 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.465 1.106 . . . . 0.0 112.009 171.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 69.9 tt0 -154.44 145.93 23.12 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 118.72 0.691 . . . . 0.0 112.036 -172.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.5 t -136.48 136.52 48.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 126.166 1.786 . . . . 0.0 109.425 174.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -131.15 130.31 42.9 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.945 1.698 . . . . 0.0 111.278 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.32 108.73 20.08 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.024 0.929 . . . . 0.0 109.099 162.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -157.63 135.74 10.93 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.122 0.969 . . . . 0.0 111.812 -163.297 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.34 26.16 71.58 Favored Glycine 0 CA--C 1.535 1.334 0 N-CA-C 115.663 1.025 . . . . 0.0 115.663 172.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.44 22.87 74.8 Favored Glycine 0 CA--C 1.536 1.403 0 CA-C-N 118.289 1.045 . . . . 0.0 114.135 -172.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.33 169.86 16.86 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.962 2.105 . . . . 0.0 111.552 -177.269 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 90.4 t -109.23 137.92 39.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 123.035 0.534 . . . . 0.0 110.377 159.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 74.8 mtt85 -123.96 149.56 45.81 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.959 1.704 . . . . 0.0 111.068 174.594 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 37.3 t -138.36 145.51 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 125.633 1.573 . . . . 0.0 111.384 -172.281 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 68.7 m -124.8 132.86 53.3 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 125.049 1.339 . . . . 0.0 110.741 171.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 38.5 p -98.35 167.91 10.55 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.337 1.455 . . . . 0.0 112.99 178.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -63.2 -15.39 56.83 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 174.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -82.47 -0.61 47.17 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.835 1.254 . . . . 0.0 113.628 174.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 61.74 13.13 5.13 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 126.273 1.829 . . . . 0.0 113.781 -164.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -76.8 147.39 37.24 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.142 0.977 . . . . 0.0 110.311 168.087 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -129.38 151.49 49.96 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.02 1.328 . . . . 0.0 112.71 -173.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 -134.4 154.16 51.52 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.866 1.667 . . . . 0.0 111.202 -178.438 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -148.91 139.24 22.41 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.421 1.088 . . . . 0.0 112.179 -178.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -142.49 95.02 6.62 Favored Pre-proline 0 CA--C 1.544 0.742 0 C-N-CA 125.369 1.467 . . . . 0.0 111.488 -172.098 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -61.94 146.82 96.17 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 123.703 2.935 . . . . 0.0 113.494 175.331 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.12 1.32 89.92 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 124.978 1.275 . . . . 0.0 114.867 177.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.2 mt -98.25 160.95 13.96 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 118.43 1.115 . . . . 0.0 112.887 176.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.18 159.95 41.22 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 127.55 2.34 . . . . 0.0 110.802 164.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 32.2 mt -74.07 120.45 23.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 177.389 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -100.74 -38.55 3.39 Favored Glycine 0 N--CA 1.475 1.244 0 C-N-CA 124.417 1.008 . . . . 0.0 114.389 -175.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 70.1 ttt-85 -153.43 146.85 24.89 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.254 1.422 . . . . 0.0 111.056 -176.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.3 t -130.63 119.91 46.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 125.201 1.401 . . . . 0.0 109.166 171.084 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -116.47 96.34 5.47 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.414 1.485 . . . . 0.0 110.07 -175.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -75.88 -4.22 39.64 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.036 0.934 . . . . 0.0 113.294 -170.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 72.0 mtt85 -61.91 -28.37 69.48 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.221 1.008 . . . . 0.0 112.724 171.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.0 t -138.56 10.09 2.69 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.594 1.558 . . . . 0.0 113.041 175.206 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.29 31.2 79.76 Favored Glycine 0 CA--C 1.537 1.462 0 O-C-N 120.336 -1.477 . . . . 0.0 113.876 -179.122 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.1 t -84.93 124.68 40.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-N 118.917 1.359 . . . . 0.0 111.338 -177.285 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 91.2 mt -104.43 110.09 29.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 126.163 1.785 . . . . 0.0 108.362 172.187 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 51.0 m -97.17 121.93 39.62 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.083 0.953 . . . . 0.0 111.298 178.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.3 mt -95.96 150.65 20.22 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.461 1.104 . . . . 0.0 112.005 174.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -135.98 160.66 38.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 126.627 1.971 . . . . 0.0 110.46 -178.417 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -69.42 131.84 45.41 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.315 -0.865 . . . . 0.0 110.643 172.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -69.14 -19.28 64.02 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 -170.247 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -142.1 145.77 34.65 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.854 1.662 . . . . 0.0 111.117 177.24 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.4 m120 -94.57 42.32 1.09 Allowed 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 125.222 1.409 . . . . 0.0 113.102 -176.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 . . . . . 0 C--O 1.252 1.232 0 C-N-CA 125.49 1.516 . . . . 0.0 112.869 -177.811 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.36 0 CA-C-O 118.651 -1.083 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -68.19 178.78 20.5 Favored 'Cis proline' 0 CA--C 1.539 0.748 0 CA-C-N 119.607 1.704 . . . . 0.0 113.263 -0.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -159.74 175.67 36.56 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 124.724 1.154 . . . . 0.0 113.499 179.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 15.0 m -65.55 159.95 23.47 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.217 1.407 . . . . 0.0 113.974 -176.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 39.0 mtt -70.75 -173.37 0.76 Allowed 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.486 1.114 . . . . 0.0 112.051 164.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 56.2 m 64.63 19.38 11.8 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 115.899 1.814 . . . . 0.0 115.899 169.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 41.2 mtm -62.9 152.5 36.24 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.617 1.167 . . . . 0.0 113.885 179.256 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -90.37 177.52 6.37 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.075 1.35 . . . . 0.0 112.328 176.174 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -126.31 135.5 51.59 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.219 1.408 . . . . 0.0 110.808 160.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 42.2 t -99.66 142.47 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.349 1.06 . . . . 0.0 110.123 -178.038 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 14.7 p -137.1 143.65 34.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 125.467 1.507 . . . . 0.0 111.523 174.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 pp -152.65 157.06 40.4 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.475 1.51 . . . . 0.0 112.634 -178.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 18.8 m -111.52 130.76 55.63 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.116 1.366 . . . . 0.0 109.789 169.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -82.52 162.14 22.11 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.734 1.613 . . . . 0.0 112.753 179.227 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.67 -24.39 66.71 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 175.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -75.16 -4.6 39.72 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 125.318 1.447 . . . . 0.0 113.951 173.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.34 -5.22 81.56 Favored Glycine 0 CA--C 1.542 1.729 0 C-N-CA 125.307 1.432 . . . . 0.0 115.152 -176.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.43 167.36 54.81 Favored Glycine 0 CA--C 1.533 1.167 0 CA-C-N 118.273 1.036 . . . . 0.0 112.6 171.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -127.7 152.48 47.66 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.543 1.137 . . . . 0.0 113.162 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 64.6 t -135.22 139.61 46.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.699 1.6 . . . . 0.0 109.812 -177.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -128.52 147.18 50.68 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.572 1.549 . . . . 0.0 111.037 176.577 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 34.7 mt -135.33 120.83 29.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 125.21 1.404 . . . . 0.0 108.993 -177.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -94.06 160.91 24.23 Favored Glycine 0 CA--C 1.542 1.777 0 C-N-CA 124.87 1.224 . . . . 0.0 113.669 177.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 50.83 45.98 26.66 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.723 1.609 . . . . 0.0 112.797 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 74.9 t -74.14 118.5 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 124.301 1.04 . . . . 0.0 110.067 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 21.8 tp -97.23 -23.65 16.07 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.095 1.358 . . . . 0.0 112.354 -176.196 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -156.77 147.7 21.87 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.291 0.95 . . . . 0.0 112.58 175.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 25.8 t -135.48 142.1 40.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 126.109 1.764 . . . . 0.0 110.244 174.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -137.13 145.5 43.91 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 125.273 1.429 . . . . 0.0 111.33 176.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -131.06 125.09 32.29 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.981 1.312 . . . . 0.0 111.011 177.094 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -158.9 141.35 14.09 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.632 1.173 . . . . 0.0 111.269 -177.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.15 22.23 57.78 Favored Glycine 0 CA--C 1.539 1.546 0 N-CA-C 115.982 1.153 . . . . 0.0 115.982 170.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.62 22.67 66.44 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 124.116 0.865 . . . . 0.0 114.773 -174.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.52 135.87 37.15 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 118.603 1.201 . . . . 0.0 112.214 175.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 94.2 t -102.55 137.98 28.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 123.854 0.861 . . . . 0.0 111.045 177.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -118.62 147.36 43.83 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.448 1.899 . . . . 0.0 110.312 175.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 22.1 t -136.55 140.81 42.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.662 1.585 . . . . 0.0 110.371 -178.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 46.3 m -123.75 127.55 48.29 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.935 1.294 . . . . 0.0 110.511 172.332 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 49.3 p -87.92 167.01 14.11 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.551 1.14 . . . . 0.0 112.847 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 60.5 tp -47.44 -35.14 8.09 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.613 1.965 . . . . 0.0 113.488 165.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -82.75 5.21 22.15 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.087 1.755 . . . . 0.0 113.589 -176.039 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 60.9 12.42 3.84 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.636 1.975 . . . . 0.0 114.333 -171.357 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -74.24 133.83 42.67 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 120.708 -1.245 . . . . 0.0 110.208 168.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -109.72 146.92 34.09 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.855 1.262 . . . . 0.0 112.37 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -134.76 152.03 51.43 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.827 1.651 . . . . 0.0 111.19 177.386 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.77 141.29 29.09 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.552 1.141 . . . . 0.0 111.79 -179.145 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -139.89 88.02 12.3 Favored Pre-proline 0 CA--C 1.543 0.688 0 C-N-CA 125.36 1.464 . . . . 0.0 110.776 -170.007 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -68.27 145.88 67.53 Favored 'Trans proline' 0 CA--C 1.537 0.668 0 C-N-CA 122.953 2.435 . . . . 0.0 111.785 174.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.53 4.4 73.44 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 125.569 1.557 . . . . 0.0 114.666 -175.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 50.7 mt -114.51 163.38 15.45 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.154 1.381 . . . . 0.0 113.362 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.37 160.34 40.34 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 127.293 2.237 . . . . 0.0 109.875 164.374 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 33.9 mt -71.09 120.04 18.41 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 O-C-N 121.186 -0.946 . . . . 0.0 108.775 173.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -94.74 -45.42 3.16 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 123.966 0.793 . . . . 0.0 113.366 -178.158 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 41.6 ttp85 -150.03 147.15 27.48 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.58 1.152 . . . . 0.0 111.72 -173.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 24.4 t -129.32 130.77 67.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 125.393 1.477 . . . . 0.0 108.503 171.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -133.34 100.98 5.0 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.027 1.331 . . . . 0.0 110.375 -173.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.435 ' HG ' ' H ' ' A' ' 4' ' ' ALA . 2.4 mm? -81.72 -8.97 59.75 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.423 1.489 . . . . 0.0 113.233 -168.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 25.6 mtm180 -68.89 -23.46 64.2 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.039 1.336 . . . . 0.0 112.036 171.299 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 44.9 m -128.61 -0.4 5.51 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.24 1.816 . . . . 0.0 113.83 179.206 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.86 24.73 73.01 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 124.697 1.141 . . . . 0.0 114.516 -176.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.7 t -91.59 135.17 27.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-N 118.865 1.333 . . . . 0.0 111.596 -173.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 89.5 mt -113.4 121.73 66.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 125.935 1.694 . . . . 0.0 107.31 165.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 34.4 t -114.24 123.28 49.17 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 124.663 1.185 . . . . 0.0 111.25 -177.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 23.3 mt -94.11 148.77 21.86 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.547 1.139 . . . . 0.0 112.215 178.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -130.22 158.72 42.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 125.958 1.703 . . . . 0.0 110.783 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -69.9 129.48 39.63 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.593 -0.692 . . . . 0.0 111.587 177.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -74.63 -19.02 60.46 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.093 1.145 . . . . 0.0 114.093 -174.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 40.3 mm-40 -142.04 154.65 45.13 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.756 1.622 . . . . 0.0 111.833 172.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -118.5 15.87 13.77 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.842 1.657 . . . . 0.0 113.065 176.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 85.1 mtp180 . . . . . 0 C--O 1.253 1.283 0 C-N-CA 125.9 1.68 . . . . 0.0 112.781 -178.813 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.319 0 CA-C-O 119.499 -0.612 . . . . 0.0 112.419 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -68.85 153.75 72.27 Favored 'Trans proline' 0 CA--C 1.545 1.059 0 C-N-CA 123.983 3.122 . . . . 0.0 112.93 176.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -81.81 -144.7 4.7 Favored Glycine 0 CA--C 1.538 1.513 0 C-N-CA 125.292 1.425 . . . . 0.0 113.694 175.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 23.2 t -63.16 158.05 20.87 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.587 1.155 . . . . 0.0 112.444 175.247 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.4 mtm 57.72 -128.97 1.59 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.297 1.439 . . . . 0.0 112.043 -170.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 67.6 m 60.27 -172.77 0.12 Allowed 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.278 1.831 . . . . 0.0 113.778 -172.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 4.7 mpp? 64.2 153.49 0.05 Allowed 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 127.926 2.49 . . . . 0.0 114.77 -168.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -84.0 179.01 7.63 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.891 1.676 . . . . 0.0 112.094 176.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -130.23 142.99 50.52 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.512 1.525 . . . . 0.0 111.547 166.178 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 32.6 t -99.96 141.67 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.532 1.133 . . . . 0.0 109.8 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.3 p -140.73 142.78 29.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 123.841 0.856 . . . . 0.0 112.518 178.247 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 pp -151.88 159.39 43.86 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.079 1.351 . . . . 0.0 113.017 -172.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.9 m -114.76 131.65 56.71 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.753 1.221 . . . . 0.0 110.171 171.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -84.25 161.87 20.35 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.563 1.545 . . . . 0.0 112.27 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.29 -22.56 66.95 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 172.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -72.91 -7.7 52.21 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.231 1.412 . . . . 0.0 113.925 172.284 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.27 -5.78 81.97 Favored Glycine 0 CA--C 1.541 1.667 0 C-N-CA 125.649 1.595 . . . . 0.0 114.969 -175.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.52 171.04 55.16 Favored Glycine 0 CA--C 1.538 1.503 0 CA-C-N 118.272 1.036 . . . . 0.0 113.065 170.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 83.2 mtt180 -126.84 154.74 43.96 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.015 1.326 . . . . 0.0 112.761 178.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.4 t -133.66 138.91 49.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 125.763 1.625 . . . . 0.0 109.169 178.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -140.79 128.39 21.47 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.212 1.405 . . . . 0.0 110.37 -174.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 83.1 mt -131.8 110.01 16.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 124.743 1.217 . . . . 0.0 110.102 -166.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.22 159.48 41.26 Favored Glycine 0 CA--C 1.534 1.242 0 C-N-CA 124.37 0.986 . . . . 0.0 115.0 -176.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 55.29 44.42 27.47 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.269 1.828 . . . . 0.0 114.167 169.267 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -71.54 133.16 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 124.146 0.978 . . . . 0.0 110.825 -178.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.1 mt -85.15 -41.42 15.69 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.975 0.91 . . . . 0.0 111.289 174.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -153.42 143.53 22.2 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.497 1.119 . . . . 0.0 111.067 178.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.6 p -134.44 137.75 50.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 126.383 1.873 . . . . 0.0 109.907 175.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 32.6 mtp-105 -135.22 137.67 42.85 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.476 1.51 . . . . 0.0 111.452 -173.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.02 117.74 30.11 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.054 1.342 . . . . 0.0 108.285 166.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -158.55 126.65 5.22 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.949 0.9 . . . . 0.0 112.059 -161.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 62.72 27.5 70.05 Favored Glycine 0 CA--C 1.535 1.316 0 N-CA-C 115.194 0.838 . . . . 0.0 115.194 174.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.79 17.15 79.13 Favored Glycine 0 CA--C 1.54 1.597 0 CA-C-N 118.192 0.996 . . . . 0.0 114.35 -173.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.38 166.77 21.74 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.015 1.726 . . . . 0.0 111.508 178.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.1 t -105.55 139.46 26.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 O-C-N 121.602 -0.686 . . . . 0.0 110.476 160.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -127.0 141.2 51.85 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 126.822 2.049 . . . . 0.0 109.966 -177.28 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.4 m -133.67 152.28 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 C-N-CA 124.834 1.254 . . . . 0.0 112.613 -174.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 47.9 m -134.23 134.84 42.47 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.974 1.709 . . . . 0.0 110.675 173.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.2 p -117.73 165.51 13.54 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 124.483 1.113 . . . . 0.0 112.886 -178.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -66.13 -9.45 31.59 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 114.914 1.449 . . . . 0.0 114.914 176.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -81.34 4.86 19.18 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.916 1.286 . . . . 0.0 113.084 171.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 61.87 16.01 7.63 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 127.266 2.226 . . . . 0.0 114.345 -170.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -78.39 150.52 33.13 Favored 'General case' 0 C--O 1.237 0.406 0 O-C-N 121.212 -0.93 . . . . 0.0 112.669 171.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -134.69 140.6 46.11 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.515 1.526 . . . . 0.0 110.6 172.034 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -143.16 155.64 44.6 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.543 1.537 . . . . 0.0 111.613 -178.153 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -139.84 145.97 38.77 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.129 1.372 . . . . 0.0 112.726 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -137.09 94.36 12.6 Favored Pre-proline 0 CA--C 1.545 0.759 0 C-N-CA 126.071 1.748 . . . . 0.0 110.096 -174.027 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.07 149.82 65.43 Favored 'Trans proline' 0 CA--C 1.534 0.48 0 C-N-CA 123.101 2.534 . . . . 0.0 113.512 -178.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.67 7.09 82.24 Favored Glycine 0 CA--C 1.531 1.061 0 C-N-CA 125.528 1.537 . . . . 0.0 114.905 -177.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 75.7 mt -113.44 161.08 17.76 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.971 1.309 . . . . 0.0 113.8 -177.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.1 160.86 39.37 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 127.793 2.437 . . . . 0.0 109.509 166.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 42.3 mt -73.82 121.51 24.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 O-C-N 120.977 -1.077 . . . . 0.0 109.183 178.146 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -95.63 -49.9 2.07 Favored Glycine 0 CA--C 1.528 0.886 0 C-N-CA 124.628 1.108 . . . . 0.0 114.054 -173.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 30.8 mtm105 -148.9 162.97 38.79 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.665 1.186 . . . . 0.0 111.892 178.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.4 t -130.59 125.27 58.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 123.654 0.782 . . . . 0.0 110.531 163.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -94.09 90.94 6.6 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.937 1.695 . . . . 0.0 110.005 170.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -68.67 -10.61 57.29 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 120.882 -1.136 . . . . 0.0 112.226 174.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -60.43 -29.0 68.72 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.522 1.929 . . . . 0.0 113.138 167.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 90.5 p -139.88 -7.67 1.24 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.11 1.364 . . . . 0.0 114.164 -171.3 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.98 16.52 78.78 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 124.997 1.284 . . . . 0.0 114.854 -177.013 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 97.9 t -88.92 121.88 39.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 CA-C-N 119.561 1.68 . . . . 0.0 111.81 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 93.6 mt -97.26 114.17 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 126.008 1.723 . . . . 0.0 107.768 168.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.9 t -100.71 122.58 43.59 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.551 1.14 . . . . 0.0 111.28 -176.163 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.0 mt -93.32 151.89 19.5 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.428 1.091 . . . . 0.0 112.759 175.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -136.91 162.11 34.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 126.489 1.916 . . . . 0.0 110.923 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 54.8 mp0 -68.75 133.17 47.99 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.462 -0.774 . . . . 0.0 111.656 178.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -71.9 -16.95 62.14 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 114.659 1.355 . . . . 0.0 114.659 -173.582 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -140.94 149.11 41.42 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.21 1.804 . . . . 0.0 110.928 169.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -124.71 -2.07 7.89 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.091 1.356 . . . . 0.0 114.296 -178.576 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 . . . . . 0 C--O 1.257 1.466 0 C-N-CA 126.065 1.746 . . . . 0.0 113.204 176.315 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.573 0 CA-C-O 119.549 -0.584 . . . . 0.0 112.29 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -69.81 164.83 33.12 Favored 'Trans proline' 0 CA--C 1.544 1.002 0 C-N-CA 123.772 2.982 . . . . 0.0 112.936 177.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -79.42 -175.21 47.13 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 124.605 1.097 . . . . 0.0 114.338 178.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 43.8 t -152.39 137.89 17.7 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.246 1.418 . . . . 0.0 110.872 173.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 87.6 mtp -74.98 130.93 40.21 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.623 0.769 . . . . 0.0 112.628 -178.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 35.3 t -155.07 130.24 9.57 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.564 1.546 . . . . 0.0 109.692 167.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 4.2 mpp? 52.71 -177.27 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 124.888 1.275 . . . . 0.0 113.388 -160.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.03 -176.8 4.62 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.942 1.697 . . . . 0.0 110.832 175.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -125.56 142.43 51.51 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.66 0.784 . . . . 0.0 112.869 166.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 25.4 t -100.45 142.76 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.846 1.658 . . . . 0.0 110.129 176.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 14.6 p -134.05 138.62 49.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 125.069 1.348 . . . . 0.0 111.76 175.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 pp -150.17 159.37 44.47 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.241 1.416 . . . . 0.0 112.682 -174.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 13.4 m -109.22 132.18 54.37 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.165 1.386 . . . . 0.0 110.835 175.263 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -80.97 163.16 23.51 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.583 1.553 . . . . 0.0 112.983 178.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.88 -21.94 65.13 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 123.768 0.827 . . . . 0.0 112.827 166.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -69.27 -11.49 60.85 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.658 1.583 . . . . 0.0 113.434 171.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.6 -10.64 49.93 Favored Glycine 0 CA--C 1.54 1.655 0 C-N-CA 125.573 1.558 . . . . 0.0 115.008 -172.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.44 170.64 54.91 Favored Glycine 0 CA--C 1.532 1.14 0 CA-C-N 118.325 1.063 . . . . 0.0 112.805 170.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -122.56 153.25 39.49 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.95 1.3 . . . . 0.0 113.258 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 88.2 t -130.93 136.63 57.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 126.342 1.857 . . . . 0.0 110.009 -177.259 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -116.8 142.69 46.59 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.173 1.389 . . . . 0.0 110.73 170.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 69.7 mt -128.42 109.39 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 125.622 1.569 . . . . 0.0 108.201 -176.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.2 165.17 41.01 Favored Glycine 0 CA--C 1.538 1.518 0 C-N-CA 124.34 0.972 . . . . 0.0 114.345 -178.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 53.4 39.38 29.82 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.252 1.821 . . . . 0.0 114.092 174.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 61.7 t -70.97 126.1 30.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 125.227 1.411 . . . . 0.0 110.35 178.509 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 5.0 tt -105.65 -23.9 12.66 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.321 1.848 . . . . 0.0 112.719 -176.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -153.99 149.05 26.82 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.07 1.348 . . . . 0.0 110.79 167.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 11.5 p -140.67 145.91 24.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.807 1.243 . . . . 0.0 110.657 173.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 35.0 mtt85 -143.71 123.38 13.32 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.378 1.471 . . . . 0.0 111.993 -169.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.18 101.07 12.18 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.138 0.975 . . . . 0.0 108.527 162.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -156.39 135.26 11.83 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.562 1.145 . . . . 0.0 111.922 -164.164 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.79 30.63 74.63 Favored Glycine 0 CA--C 1.534 1.239 0 N-CA-C 115.278 0.871 . . . . 0.0 115.278 173.198 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.74 19.44 79.02 Favored Glycine 0 CA--C 1.539 1.565 0 CA-C-N 118.059 0.93 . . . . 0.0 114.41 -177.101 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -148.05 170.0 18.72 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.496 1.919 . . . . 0.0 111.007 -175.013 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 64.9 t -97.94 133.15 41.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 O-C-N 121.864 -0.522 . . . . 0.0 110.016 154.307 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.75 145.8 39.9 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.991 1.716 . . . . 0.0 109.307 168.579 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 13.5 p -145.2 142.91 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.134 0.973 . . . . 0.0 111.473 -172.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 37.3 m -124.68 138.14 54.31 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.859 2.064 . . . . 0.0 110.763 -172.238 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 40.4 p -108.85 164.17 12.63 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.531 1.132 . . . . 0.0 111.614 172.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -64.88 -11.41 37.46 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 175.163 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -77.24 1.11 19.52 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.637 1.175 . . . . 0.0 113.152 172.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.2 t0 60.83 18.52 8.76 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 127.03 2.132 . . . . 0.0 113.846 -168.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 60.1 tt0 -86.6 141.8 28.73 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.251 1.42 . . . . 0.0 110.655 170.271 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -127.37 152.13 47.89 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.772 1.229 . . . . 0.0 112.857 177.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 67.6 m-70 -132.6 158.38 42.37 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.825 1.65 . . . . 0.0 111.113 178.344 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -140.73 141.13 34.93 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.471 1.109 . . . . 0.0 112.318 -176.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -140.34 93.05 9.09 Favored Pre-proline 0 CA--C 1.543 0.699 0 C-N-CA 125.635 1.574 . . . . 0.0 111.233 -174.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -59.84 146.64 95.17 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 124.044 3.163 . . . . 0.0 114.271 178.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.58 6.39 88.2 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.551 1.072 . . . . 0.0 115.211 178.322 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 48.7 mt -102.83 162.32 13.02 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 118.764 1.282 . . . . 0.0 113.252 174.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.56 162.47 35.8 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 127.758 2.423 . . . . 0.0 110.022 164.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 33.1 mt -73.84 120.0 22.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 O-C-N 120.868 -1.145 . . . . 0.0 108.897 175.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.32 -34.0 5.75 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 124.092 0.853 . . . . 0.0 114.63 -177.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 27.5 ttp85 -157.73 147.06 19.83 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.989 1.316 . . . . 0.0 111.584 -173.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 7.7 t -126.59 131.59 71.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 124.354 1.061 . . . . 0.0 109.207 164.131 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -129.48 95.53 4.03 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 126.462 1.905 . . . . 0.0 110.081 -171.103 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -80.73 -15.48 56.37 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.818 1.247 . . . . 0.0 112.786 -166.265 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -67.4 -18.44 65.12 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.054 0.941 . . . . 0.0 112.614 170.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 49.5 m -127.89 -5.48 5.66 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.373 1.469 . . . . 0.0 114.609 176.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.83 31.81 73.26 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 124.522 1.058 . . . . 0.0 114.614 -175.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 94.1 t -103.39 137.25 32.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.562 1.145 . . . . 0.0 112.053 -173.23 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 13.1 mt -115.15 109.83 29.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 C-N-CA 126.302 1.841 . . . . 0.0 107.671 171.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 18.0 m -94.81 121.33 36.28 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.563 -0.711 . . . . 0.0 110.766 178.314 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 28.1 mt -88.1 152.8 21.75 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.768 0.827 . . . . 0.0 111.919 173.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -132.57 158.09 43.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 126.673 1.989 . . . . 0.0 111.037 178.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -70.26 127.13 31.73 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.204 1.002 . . . . 0.0 110.524 173.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -74.9 -24.18 58.49 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 114.317 1.228 . . . . 0.0 114.317 -169.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -143.87 123.23 13.07 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 126.094 1.758 . . . . 0.0 110.801 170.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -92.77 0.26 57.39 Favored 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 -175.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 . . . . . 0 C--O 1.255 1.378 0 C-N-CA 126.207 1.803 . . . . 0.0 114.785 -177.841 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.81 0 CA-C-O 118.998 -0.89 . . . . 0.0 111.252 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -69.15 162.45 41.72 Favored 'Trans proline' 0 CA--C 1.544 0.981 0 C-N-CA 123.814 3.009 . . . . 0.0 112.493 179.056 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -173.18 -179.89 44.16 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 125.256 1.408 . . . . 0.0 113.061 -179.324 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 29.0 m -60.85 127.98 34.24 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.725 1.21 . . . . 0.0 112.442 -179.067 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mmm -86.7 152.53 22.46 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.727 1.211 . . . . 0.0 113.091 -178.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.9 t 59.78 -173.83 0.11 Allowed 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 126.379 1.872 . . . . 0.0 114.331 174.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 40.1 mtm 61.8 179.98 0.12 Allowed 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.745 2.418 . . . . 0.0 115.143 178.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -136.2 172.24 13.3 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.972 2.109 . . . . 0.0 110.437 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -105.46 143.8 33.12 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.802 0.841 . . . . 0.0 111.776 163.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.6 t -99.27 137.59 26.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 125.015 1.326 . . . . 0.0 109.045 171.271 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.9 p -132.63 141.67 44.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 125.078 1.351 . . . . 0.0 112.201 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 pp -147.79 157.19 43.42 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.387 1.475 . . . . 0.0 112.365 -176.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.0 m -111.68 132.08 54.85 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.725 1.21 . . . . 0.0 111.244 177.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -82.99 161.12 21.85 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.726 1.61 . . . . 0.0 112.23 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.57 -20.95 66.07 Favored 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 170.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -72.46 -7.79 51.72 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.842 1.657 . . . . 0.0 113.848 171.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.34 -8.28 72.03 Favored Glycine 0 CA--C 1.538 1.506 0 C-N-CA 125.638 1.59 . . . . 0.0 114.871 -176.138 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.52 170.44 54.81 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 124.906 1.241 . . . . 0.0 113.267 171.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -125.6 152.8 44.65 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.919 1.288 . . . . 0.0 112.927 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.1 t -131.87 141.1 46.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 126.502 1.921 . . . . 0.0 109.921 -178.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -127.66 143.05 51.19 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.161 1.384 . . . . 0.0 111.628 179.008 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -129.09 102.67 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 126.095 1.758 . . . . 0.0 108.082 177.003 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.0 160.21 44.38 Favored Glycine 0 CA--C 1.533 1.219 0 C-N-CA 124.229 0.919 . . . . 0.0 114.25 179.256 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 52.56 47.52 24.52 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.524 1.53 . . . . 0.0 113.519 174.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.8 m -70.8 131.31 34.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 O-C-N 120.928 -1.107 . . . . 0.0 110.671 172.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.7 mt -77.18 -32.13 55.9 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.257 1.023 . . . . 0.0 111.278 167.348 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -157.71 149.71 22.2 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.181 1.393 . . . . 0.0 112.072 -178.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.1 p -138.55 138.58 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 126.514 1.926 . . . . 0.0 110.529 170.427 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.31 138.6 40.17 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.844 1.258 . . . . 0.0 111.476 -177.722 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -102.93 118.91 37.86 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.261 1.424 . . . . 0.0 110.457 167.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -158.3 151.74 23.23 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.82 1.248 . . . . 0.0 112.093 -178.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.31 22.25 58.23 Favored Glycine 0 CA--C 1.54 1.62 0 C-N-CA 124.411 1.005 . . . . 0.0 115.523 175.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.73 24.98 68.45 Favored Glycine 0 CA--C 1.538 1.503 0 CA-C-N 118.459 1.129 . . . . 0.0 114.059 -172.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.56 167.09 23.04 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.527 1.931 . . . . 0.0 111.471 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 79.3 t -114.22 143.85 23.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 124.137 0.975 . . . . 0.0 111.285 167.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -130.19 143.99 51.1 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.344 1.458 . . . . 0.0 110.806 175.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.7 m -135.13 150.67 29.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 125.343 1.457 . . . . 0.0 111.236 -176.287 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 23.9 m -134.49 130.81 37.24 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.172 0.989 . . . . 0.0 110.121 173.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 21.0 p -97.09 168.77 10.25 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.553 1.141 . . . . 0.0 113.961 -172.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.9 tp -49.64 -30.89 9.7 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.064 2.146 . . . . 0.0 114.079 172.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -91.09 10.72 25.68 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.787 1.635 . . . . 0.0 113.666 -178.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 62.41 15.52 7.81 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.936 2.095 . . . . 0.0 114.772 -174.312 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -77.66 154.88 31.76 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.841 -1.162 . . . . 0.0 110.814 168.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -139.37 141.28 37.6 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.3 1.04 . . . . 0.0 111.334 -172.208 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 58.6 m-70 -137.04 156.37 48.51 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.058 1.343 . . . . 0.0 111.315 178.094 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.16 142.71 34.02 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.767 1.227 . . . . 0.0 111.533 -179.211 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -139.1 91.69 11.23 Favored Pre-proline 0 CA--C 1.544 0.747 0 C-N-CA 125.454 1.502 . . . . 0.0 111.084 -168.392 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -61.14 145.99 98.12 Favored 'Trans proline' 0 CA--C 1.535 0.526 0 C-N-CA 123.614 2.876 . . . . 0.0 113.525 175.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.01 2.28 88.4 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 125.03 1.3 . . . . 0.0 114.689 177.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 61.2 mt -107.75 161.48 14.85 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 118.705 1.252 . . . . 0.0 113.523 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.28 160.88 39.38 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 127.851 2.461 . . . . 0.0 109.723 165.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 30.6 mt -72.31 122.07 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 O-C-N 120.924 -1.11 . . . . 0.0 108.957 176.212 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.69 -37.1 3.55 Favored Glycine 0 N--CA 1.47 0.961 0 C-N-CA 124.078 0.847 . . . . 0.0 114.854 -175.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -152.81 144.6 23.58 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.261 1.024 . . . . 0.0 111.733 -172.405 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.5 t -136.22 119.21 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 125.649 1.58 . . . . 0.0 108.824 176.102 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -120.88 108.46 13.94 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.524 1.129 . . . . 0.0 110.773 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -82.3 -14.44 55.39 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.176 1.39 . . . . 0.0 112.953 -173.187 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 29.8 mtm180 -73.05 -41.87 63.7 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.57 1.148 . . . . 0.0 110.643 173.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.7 t -90.59 -30.39 17.24 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.492 1.517 . . . . 0.0 113.898 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.36 42.39 9.34 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.526 1.06 . . . . 0.0 112.794 -174.225 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 81.3 t -130.16 139.66 50.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 124.456 1.103 . . . . 0.0 111.431 -171.013 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 81.3 mt -123.2 117.47 51.67 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 C-N-CA 126.79 2.036 . . . . 0.0 108.51 177.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.8 m -102.83 129.06 49.39 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.936 0.895 . . . . 0.0 110.989 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.3 mt -90.76 151.53 21.17 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.646 1.178 . . . . 0.0 111.584 172.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -134.03 161.56 40.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 126.014 1.726 . . . . 0.0 110.777 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -64.42 126.0 26.41 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.72 0.808 . . . . 0.0 111.532 174.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -68.11 -11.78 59.7 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 121.275 -0.891 . . . . 0.0 112.959 177.052 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -110.09 8.59 23.98 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 126.89 2.076 . . . . 0.0 113.802 175.184 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 31.7 m120 52.29 31.55 9.53 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 128.211 2.605 . . . . 0.0 114.626 178.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 74.3 mtm180 . . . . . 0 C--O 1.254 1.308 0 C-N-CA 126.186 1.794 . . . . 0.0 113.307 -179.493 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.659 0 N-CA-C 112.009 -0.436 . . . . 0.0 112.009 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -59.55 146.79 94.15 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 123.906 3.07 . . . . 0.0 113.585 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -72.01 152.16 48.28 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 123.516 0.579 . . . . 0.0 113.698 176.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 38.4 m 53.74 50.3 17.33 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.931 1.692 . . . . 0.0 113.281 177.381 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.9 pmm? -71.75 2.37 5.46 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 116.078 1.881 . . . . 0.0 116.078 -172.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 85.7 m -126.28 139.69 53.11 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.986 1.714 . . . . 0.0 112.068 -176.009 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -78.2 160.39 28.0 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.2 1.4 . . . . 0.0 112.844 176.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.21 -178.36 3.88 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.038 1.335 . . . . 0.0 112.942 172.233 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -132.78 150.57 52.14 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.097 1.759 . . . . 0.0 111.251 166.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 9.5 t -107.02 144.26 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 C-N-CA 125.047 1.339 . . . . 0.0 110.761 176.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.9 p -139.53 144.37 28.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 125.096 1.358 . . . . 0.0 112.217 173.142 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 pp -153.74 164.25 38.63 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.235 1.814 . . . . 0.0 112.164 178.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 20.9 m -116.81 128.92 55.75 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.516 1.126 . . . . 0.0 110.471 170.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -74.45 165.21 25.58 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.553 1.141 . . . . 0.0 112.999 178.562 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.58 -20.94 63.85 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 123.838 0.855 . . . . 0.0 112.939 165.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -69.13 -10.85 59.66 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.686 1.594 . . . . 0.0 113.439 170.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.35 -9.88 52.4 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 125.673 1.606 . . . . 0.0 114.725 -172.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.76 142.82 23.87 Favored Glycine 0 CA--C 1.532 1.126 0 CA-C-N 118.653 1.227 . . . . 0.0 112.283 175.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 96.2 mtm-85 -86.91 151.98 22.83 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.36 1.064 . . . . 0.0 112.374 176.337 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 85.8 t -132.33 139.15 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 125.947 1.699 . . . . 0.0 109.429 177.09 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -134.06 142.93 47.75 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.266 1.426 . . . . 0.0 111.363 -178.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 37.5 mt -130.78 114.16 26.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 125.316 1.446 . . . . 0.0 109.154 178.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -86.39 158.44 31.26 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 123.772 0.701 . . . . 0.0 114.061 177.213 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 54.23 44.51 28.98 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 126.412 1.885 . . . . 0.0 114.446 171.412 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 11.8 p -75.09 138.47 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.393 1.077 . . . . 0.0 112.533 -177.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 76.4 mt -91.4 -37.76 13.0 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.255 1.022 . . . . 0.0 112.724 174.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -152.24 145.19 24.46 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.919 0.888 . . . . 0.0 112.53 -177.143 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 9.9 t -135.58 140.27 44.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 125.826 1.651 . . . . 0.0 109.883 172.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -135.28 136.49 41.68 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.644 1.577 . . . . 0.0 111.111 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.21 121.76 31.82 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 160.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -156.48 128.31 7.29 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.949 0.9 . . . . 0.0 111.745 -168.192 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.05 27.09 69.87 Favored Glycine 0 CA--C 1.538 1.512 0 N-CA-C 115.567 0.987 . . . . 0.0 115.567 171.344 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.61 19.8 72.77 Favored Glycine 0 CA--C 1.538 1.486 0 CA-C-N 118.743 1.272 . . . . 0.0 114.459 -173.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.01 166.82 23.14 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.354 1.861 . . . . 0.0 111.137 178.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 71.2 t -107.11 138.52 32.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 123.225 0.61 . . . . 0.0 110.413 162.515 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -130.1 138.79 50.88 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 126.285 1.834 . . . . 0.0 109.593 -179.477 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -146.51 145.97 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 124.015 0.926 . . . . 0.0 112.113 -168.376 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 47.5 m -131.77 126.33 34.15 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.802 1.241 . . . . 0.0 112.932 -177.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 30.7 p -87.37 170.48 11.36 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 124.997 1.319 . . . . 0.0 113.65 178.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -62.02 -15.47 44.54 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 172.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -87.16 3.96 44.28 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.774 1.23 . . . . 0.0 113.162 174.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 62.32 12.96 5.6 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.783 2.033 . . . . 0.0 114.21 -168.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -73.0 127.36 32.33 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.231 -0.918 . . . . 0.0 110.473 171.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -99.72 149.14 23.63 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.962 1.305 . . . . 0.0 112.284 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -135.07 147.47 49.58 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 126.091 1.756 . . . . 0.0 110.734 178.209 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.11 139.23 28.75 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.239 1.015 . . . . 0.0 112.598 -178.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -139.77 90.4 11.05 Favored Pre-proline 0 CA--C 1.542 0.671 0 C-N-CA 125.312 1.445 . . . . 0.0 110.847 -173.136 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -66.05 145.12 78.42 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 123.375 2.717 . . . . 0.0 112.416 177.398 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.7 3.15 83.93 Favored Glycine 0 CA--C 1.539 1.549 0 C-N-CA 124.929 1.252 . . . . 0.0 114.8 -177.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 64.1 mt -109.53 162.3 14.52 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 118.852 1.326 . . . . 0.0 113.598 177.184 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.46 162.0 35.6 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 128.056 2.542 . . . . 0.0 109.737 162.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 58.1 mt -72.14 124.92 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 O-C-N 121.157 -0.964 . . . . 0.0 109.044 177.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -106.03 -34.34 3.24 Favored Glycine 0 CA--C 1.527 0.784 0 C-N-CA 124.736 1.16 . . . . 0.0 114.718 -172.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 34.6 ttp85 -155.21 148.31 24.72 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.016 1.408 . . . . 0.0 111.784 -177.097 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 8.8 t -130.82 127.74 61.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 123.412 0.685 . . . . 0.0 109.267 161.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -118.9 86.93 2.64 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.53 1.532 . . . . 0.0 110.06 -174.263 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -65.02 -20.7 66.63 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.045 1.338 . . . . 0.0 113.126 -169.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 55.7 mtm180 -61.99 -25.82 67.86 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.981 1.313 . . . . 0.0 113.224 172.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 8.1 t -127.41 -7.06 5.81 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.492 1.517 . . . . 0.0 113.791 -178.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.21 24.1 74.27 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 125.345 1.45 . . . . 0.0 114.634 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 84.1 t -98.46 126.31 51.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 CA-C-N 118.628 1.214 . . . . 0.0 111.457 -175.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 83.1 mt -97.95 128.88 48.91 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 C-N-CA 127.15 2.18 . . . . 0.0 107.965 165.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 23.1 t -123.99 138.9 54.39 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.315 1.046 . . . . 0.0 111.117 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 23.5 mt -109.45 151.31 26.87 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.991 1.317 . . . . 0.0 112.276 -175.165 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -132.91 159.33 43.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 126.048 1.739 . . . . 0.0 111.445 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -70.66 128.73 37.07 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.339 -0.851 . . . . 0.0 111.94 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -82.83 -26.36 31.77 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 -178.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -146.63 153.63 40.54 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.54 1.936 . . . . 0.0 110.767 172.03 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -100.29 22.94 10.78 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.204 1.402 . . . . 0.0 112.981 177.177 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 34.6 ptt180 . . . . . 0 C--O 1.25 1.117 0 C-N-CA 127.177 2.191 . . . . 0.0 112.701 -171.331 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.574 0 CA-C-O 119.71 -0.494 . . . . 0.0 112.256 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -62.7 158.39 42.32 Favored 'Trans proline' 0 CA--C 1.542 0.895 0 C-N-CA 124.28 3.32 . . . . 0.0 113.926 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 73.63 -172.07 51.13 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 124.628 1.109 . . . . 0.0 114.529 179.094 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 20.1 m -66.79 149.8 50.04 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.743 1.217 . . . . 0.0 113.155 -177.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.0 ptt? -148.55 154.39 39.7 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.21 1.404 . . . . 0.0 110.982 173.069 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 14.3 t -95.12 135.74 36.31 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.546 0.738 . . . . 0.0 111.698 175.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -84.12 -51.59 6.95 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.641 0.777 . . . . 0.0 111.601 179.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -157.56 158.68 36.08 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.811 1.244 . . . . 0.0 112.436 166.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.8 tttt -106.56 130.68 54.29 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 126.276 1.83 . . . . 0.0 110.003 166.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 74.0 t -99.52 139.05 22.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 124.531 1.132 . . . . 0.0 109.15 166.123 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.4 p -139.68 139.29 38.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.2 1.0 . . . . 0.0 113.14 -178.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -149.22 165.14 32.78 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 127.146 2.178 . . . . 0.0 110.22 175.756 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.1 m -122.23 132.06 54.24 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 124.39 1.076 . . . . 0.0 110.861 177.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 39.7 mtmt -79.69 162.49 25.19 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.176 1.39 . . . . 0.0 113.105 -178.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.26 -18.68 61.89 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 123.898 0.879 . . . . 0.0 113.091 166.143 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -68.58 -11.23 59.71 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.111 1.365 . . . . 0.0 113.802 170.27 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.92 -8.13 64.06 Favored Glycine 0 CA--C 1.537 1.463 0 C-N-CA 125.371 1.463 . . . . 0.0 114.929 -173.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -88.62 149.74 21.28 Favored Glycine 0 CA--C 1.533 1.198 0 CA-C-N 118.361 1.081 . . . . 0.0 112.26 174.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 89.8 mtm-85 -82.15 157.11 24.14 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 122.035 -0.685 . . . . 0.0 112.567 173.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 24.2 t -117.86 136.5 54.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 125.789 1.636 . . . . 0.0 107.829 162.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -136.57 131.18 33.46 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.663 1.185 . . . . 0.0 110.267 -178.328 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 41.0 mt -128.16 106.24 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 124.77 1.228 . . . . 0.0 108.245 -171.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.17 169.75 38.47 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 124.044 0.83 . . . . 0.0 114.682 178.266 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 58.15 35.37 25.02 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.996 1.719 . . . . 0.0 113.791 173.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 68.8 t -74.08 130.73 35.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 125.697 1.599 . . . . 0.0 111.756 -177.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 71.3 mt -99.23 -25.88 14.36 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.413 1.485 . . . . 0.0 113.491 175.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -157.46 142.57 16.94 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.329 0.968 . . . . 0.0 111.668 -177.272 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.8 t -134.84 142.62 39.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 125.539 1.536 . . . . 0.0 110.026 174.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.88 142.68 46.65 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.66 1.584 . . . . 0.0 110.619 176.81 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.59 112.54 25.51 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.182 0.993 . . . . 0.0 109.286 164.078 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.5 tp10 -156.61 129.46 7.79 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.689 0.796 . . . . 0.0 113.136 -167.09 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.61 28.51 73.56 Favored Glycine 0 CA--C 1.536 1.361 0 N-CA-C 115.129 0.811 . . . . 0.0 115.129 171.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.42 20.35 78.77 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 124.321 0.962 . . . . 0.0 114.198 -173.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.01 154.68 48.28 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.803 1.641 . . . . 0.0 111.616 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 70.6 t -99.18 140.89 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 122.592 0.357 . . . . 0.0 110.119 164.243 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.3 mtt180 -132.51 139.0 47.73 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.486 1.514 . . . . 0.0 109.553 -169.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.2 t -138.32 146.65 26.45 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 C-N-CA 123.946 0.899 . . . . 0.0 111.874 -166.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 53.1 m -132.3 142.43 49.35 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 125.262 1.425 . . . . 0.0 110.867 172.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 72.6 p -123.64 167.09 14.42 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 126.261 1.824 . . . . 0.0 111.711 -177.001 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.51 -6.25 10.19 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 115.42 1.637 . . . . 0.0 115.42 176.633 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -78.79 2.56 19.44 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.645 1.178 . . . . 0.0 112.855 170.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 61.41 16.42 7.46 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 126.717 2.007 . . . . 0.0 114.188 -170.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -79.96 158.37 26.62 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 122.45 1.119 . . . . 0.0 112.786 173.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -132.39 138.92 47.88 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 126.103 1.761 . . . . 0.0 110.308 178.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -137.05 152.78 50.47 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.102 1.361 . . . . 0.0 111.164 -173.143 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -146.42 143.09 28.79 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.246 1.018 . . . . 0.0 112.129 177.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -137.73 87.08 17.53 Favored Pre-proline 0 CA--C 1.547 0.856 0 C-N-CA 125.777 1.631 . . . . 0.0 109.991 -170.02 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -67.87 145.55 68.85 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 123.273 2.649 . . . . 0.0 112.64 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.12 5.25 76.94 Favored Glycine 0 CA--C 1.533 1.164 0 C-N-CA 124.862 1.22 . . . . 0.0 114.352 -178.453 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.6 mt -112.86 160.43 18.04 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.333 1.453 . . . . 0.0 113.976 178.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.32 161.16 38.74 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 127.753 2.421 . . . . 0.0 110.283 167.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 55.1 mt -71.83 124.4 28.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 O-C-N 121.062 -1.024 . . . . 0.0 109.285 176.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -90.08 -53.07 2.43 Favored Glycine 0 CA--C 1.53 0.995 0 C-N-CA 124.622 1.106 . . . . 0.0 112.702 177.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.1 ptt85 -153.25 161.47 42.36 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.625 1.17 . . . . 0.0 112.837 176.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.9 t -129.75 127.9 64.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 124.625 1.17 . . . . 0.0 109.791 170.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -122.44 103.85 9.0 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.651 1.18 . . . . 0.0 111.263 -174.302 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -81.85 -4.96 57.76 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.003 1.321 . . . . 0.0 113.13 -170.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.8 mtm180 -71.44 -23.57 61.87 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.478 1.111 . . . . 0.0 111.888 168.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.3 m -125.89 -12.24 6.5 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.059 1.344 . . . . 0.0 113.846 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.07 29.29 62.88 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 124.374 0.988 . . . . 0.0 113.435 -176.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.7 t -102.95 127.2 56.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 124.597 1.159 . . . . 0.0 111.594 -173.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.2 mt -100.31 113.0 34.63 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 C-N-CA 126.908 2.083 . . . . 0.0 107.879 167.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 27.2 t -101.03 124.41 46.71 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 124.897 1.279 . . . . 0.0 111.099 -177.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.7 mt -99.81 152.39 20.18 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.31 1.044 . . . . 0.0 112.802 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -135.72 159.78 39.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 126.296 1.838 . . . . 0.0 110.328 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.2 mp0 -69.51 130.18 41.76 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.21 -0.931 . . . . 0.0 111.706 178.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.97 -13.72 59.13 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -176.782 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -145.03 149.23 34.75 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.004 1.722 . . . . 0.0 110.957 168.218 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -92.44 34.9 1.03 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.254 1.422 . . . . 0.0 114.11 -171.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.7 ptm85 . . . . . 0 C--O 1.252 1.189 0 C-N-CA 125.924 1.689 . . . . 0.0 113.182 -176.927 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.758 0 CA-C-O 118.72 -1.044 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_exo -63.51 -27.21 70.03 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 123.91 3.073 . . . . 0.0 115.378 -176.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . 77.72 -20.66 3.48 Favored Glycine 0 CA--C 1.541 1.704 0 C-N-CA 125.286 1.422 . . . . 0.0 115.012 -176.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 72.1 p -80.72 -12.85 59.4 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 126.125 1.77 . . . . 0.0 114.492 173.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptm -68.33 164.06 21.63 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.678 1.591 . . . . 0.0 113.157 176.242 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 58.1 m 62.38 -175.54 0.14 Allowed 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 126.561 1.944 . . . . 0.0 114.656 176.411 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 35.8 mtm -59.96 158.13 11.4 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.635 1.574 . . . . 0.0 114.23 -178.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.67 170.68 14.73 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-O 122.311 1.053 . . . . 0.0 113.349 177.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -132.12 135.2 46.24 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 125.657 1.583 . . . . 0.0 110.608 165.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 39.8 t -99.77 142.87 14.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 124.657 1.183 . . . . 0.0 110.455 -177.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 9.7 p -133.91 138.61 50.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 C-N-CA 125.421 1.488 . . . . 0.0 111.255 170.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -152.06 168.08 26.4 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.72 1.608 . . . . 0.0 111.904 -177.525 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.7 m -125.41 130.25 51.49 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.396 1.078 . . . . 0.0 110.047 173.246 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -73.08 162.14 29.81 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.188 1.395 . . . . 0.0 112.207 176.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.41 -24.33 66.44 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 113.299 0.852 . . . . 0.0 113.299 175.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -76.02 -3.28 34.86 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 124.953 1.301 . . . . 0.0 114.231 171.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.06 -1.55 88.75 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 125.861 1.696 . . . . 0.0 115.435 -176.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.77 134.66 14.85 Favored Glycine 0 CA--C 1.534 1.27 0 CA-C-N 118.707 1.253 . . . . 0.0 113.165 178.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 8.3 mmt85 -75.85 149.1 37.9 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.882 1.273 . . . . 0.0 112.416 174.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 90.8 t -138.33 137.81 43.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.597 1.559 . . . . 0.0 109.456 172.293 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -132.21 140.35 48.66 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.855 1.662 . . . . 0.0 110.921 177.294 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 52.8 mt -135.4 122.45 35.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.547 1.139 . . . . 0.0 109.84 -171.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -96.81 165.03 23.05 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 125.048 1.308 . . . . 0.0 114.405 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 50.87 45.86 26.9 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.199 1.799 . . . . 0.0 112.791 178.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 85.4 t -74.88 121.69 26.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 C-N-CA 124.422 1.089 . . . . 0.0 109.972 -178.076 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 15.8 tp -94.91 -32.15 13.35 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.102 1.761 . . . . 0.0 111.901 -172.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 62.5 tt0 -157.33 148.14 21.41 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.025 1.73 . . . . 0.0 111.287 174.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 5.4 m -131.23 152.23 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 C-N-CA 124.663 1.185 . . . . 0.0 111.395 164.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -139.36 140.1 37.39 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.597 1.559 . . . . 0.0 111.273 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -96.71 126.14 41.67 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.15 0.98 . . . . 0.0 108.79 166.328 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -157.0 126.92 6.28 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.536 -0.727 . . . . 0.0 112.353 -170.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.87 28.96 71.08 Favored Glycine 0 CA--C 1.541 1.664 0 N-CA-C 115.772 1.069 . . . . 0.0 115.772 169.034 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.7 23.21 67.72 Favored Glycine 0 CA--C 1.538 1.49 0 CA-C-N 118.429 1.115 . . . . 0.0 114.139 -173.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.87 166.78 23.72 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.614 1.966 . . . . 0.0 111.056 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 80.1 t -113.33 139.47 38.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 123.6 0.76 . . . . 0.0 110.72 166.188 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -117.48 143.5 45.99 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.711 1.605 . . . . 0.0 110.006 172.477 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 4.3 m -136.93 142.43 37.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.105 0.962 . . . . 0.0 111.522 -178.306 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 87.0 m -125.89 133.25 51.96 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.622 1.569 . . . . 0.0 110.234 -178.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 43.0 p -101.4 168.07 9.76 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 122.267 1.032 . . . . 0.0 113.142 -176.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 63.2 tp -49.76 -33.93 17.76 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.281 1.832 . . . . 0.0 113.838 170.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -80.6 6.63 12.07 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.892 1.677 . . . . 0.0 114.03 -176.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 30.6 t0 61.13 21.17 11.61 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.545 1.938 . . . . 0.0 114.032 -174.246 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -83.9 157.25 22.02 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 122.056 0.931 . . . . 0.0 111.267 165.625 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -140.7 139.63 34.77 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.685 1.194 . . . . 0.0 111.131 -176.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -135.04 153.73 51.96 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.282 1.433 . . . . 0.0 110.768 -176.624 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -138.7 141.57 38.96 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.335 1.054 . . . . 0.0 112.129 -177.216 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -137.27 93.47 12.96 Favored Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 125.281 1.432 . . . . 0.0 110.459 -170.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -61.37 146.17 97.49 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 123.888 3.059 . . . . 0.0 113.777 176.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.32 8.05 87.64 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 124.804 1.192 . . . . 0.0 114.57 177.497 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 62.3 mt -108.53 162.07 14.47 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 118.766 1.283 . . . . 0.0 113.254 177.311 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.44 159.21 42.7 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.545 2.338 . . . . 0.0 110.003 166.08 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 26.3 mt -71.96 112.76 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 174.164 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -85.36 -45.81 5.74 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 123.809 0.719 . . . . 0.0 113.325 -178.041 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -153.61 159.56 42.16 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.198 1.399 . . . . 0.0 112.793 178.411 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 11.7 t -130.61 114.44 28.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 126.014 1.725 . . . . 0.0 108.499 171.293 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -101.67 88.56 3.44 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.923 1.289 . . . . 0.0 109.698 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -65.32 -16.75 63.91 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -172.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 55.5 mtt85 -59.97 -24.54 64.5 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.125 1.37 . . . . 0.0 113.463 174.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 20.8 t -134.33 -0.78 2.94 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.416 1.886 . . . . 0.0 112.895 177.06 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.26 24.75 74.83 Favored Glycine 0 CA--C 1.533 1.198 0 O-C-N 120.566 -1.334 . . . . 0.0 113.922 -175.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 93.8 t -81.56 118.14 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 CA-C-N 118.24 1.02 . . . . 0.0 111.337 -177.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 78.7 mt -97.07 119.09 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 125.19 1.396 . . . . 0.0 107.908 169.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 12.1 t -107.84 125.01 50.94 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.621 0.768 . . . . 0.0 111.082 177.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 23.7 mt -97.87 142.84 29.12 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.691 0.796 . . . . 0.0 111.256 178.176 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.6 pp -128.92 156.73 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 125.852 1.661 . . . . 0.0 111.159 -177.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 53.9 mp0 -66.25 118.12 9.5 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.376 1.071 . . . . 0.0 111.853 178.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -70.79 -22.45 62.36 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.075 0.95 . . . . 0.0 113.186 -176.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -90.43 3.88 52.56 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.821 1.648 . . . . 0.0 114.001 172.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 8.6 m120 51.47 32.04 8.23 Favored 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 128.881 2.872 . . . . 0.0 114.649 176.169 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 96.9 mtt-85 . . . . . 0 C--O 1.251 1.181 0 C-N-CA 126.249 1.82 . . . . 0.0 112.412 -177.285 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.618 0 N-CA-C 111.782 -0.527 . . . . 0.0 111.782 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -73.49 -16.02 24.5 Favored 'Trans proline' 0 CA--C 1.543 0.966 0 C-N-CA 123.79 2.993 . . . . 0.0 114.434 -176.463 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 72.69 -150.78 45.27 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.342 0.972 . . . . 0.0 112.687 -172.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 32.6 t -64.56 133.5 52.46 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.814 0.846 . . . . 0.0 112.065 177.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ptm -161.02 144.3 13.0 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.644 1.977 . . . . 0.0 108.183 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 93.1 m -93.01 139.24 30.73 Favored 'General case' 0 C--O 1.238 0.497 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -173.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -82.86 162.87 21.47 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.501 1.52 . . . . 0.0 112.75 175.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.55 174.31 7.67 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.95 1.3 . . . . 0.0 113.346 172.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -130.33 136.84 49.53 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.226 1.81 . . . . 0.0 111.414 169.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.2 t -100.55 144.09 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 125.161 1.384 . . . . 0.0 110.469 -178.514 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.6 p -139.45 144.16 29.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 125.176 1.39 . . . . 0.0 111.535 172.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 pp -145.99 157.09 43.88 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.579 1.152 . . . . 0.0 112.011 179.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.6 m -121.46 127.69 51.36 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.941 1.296 . . . . 0.0 109.416 167.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.8 mtmt -77.47 161.72 27.73 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.731 1.212 . . . . 0.0 111.984 177.285 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.12 -19.79 61.91 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 123.601 0.761 . . . . 0.0 112.837 166.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -71.39 -10.98 60.63 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.553 1.541 . . . . 0.0 113.656 172.156 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.46 -8.01 66.44 Favored Glycine 0 CA--C 1.54 1.599 0 C-N-CA 125.459 1.504 . . . . 0.0 114.754 -172.035 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.55 160.29 51.89 Favored Glycine 0 CA--C 1.534 1.259 0 CA-C-N 118.727 1.264 . . . . 0.0 113.253 173.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -127.05 152.69 46.94 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.483 1.513 . . . . 0.0 113.026 -177.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 26.2 t -138.65 141.76 36.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 C-N-CA 125.398 1.479 . . . . 0.0 109.689 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -131.47 140.65 49.62 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.44 1.496 . . . . 0.0 110.712 178.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 31.5 mt -138.41 114.25 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.715 1.206 . . . . 0.0 109.926 -171.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.06 165.13 34.28 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.394 0.997 . . . . 0.0 114.577 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 56.26 38.13 29.5 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.001 1.72 . . . . 0.0 115.396 170.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.5 p -76.36 134.05 29.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.182 0.993 . . . . 0.0 111.666 -178.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.2 mt -91.67 -30.26 16.41 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.143 1.377 . . . . 0.0 113.178 173.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -158.85 145.23 16.95 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.929 0.891 . . . . 0.0 112.254 -175.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.0 m -133.94 148.55 30.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 125.189 1.396 . . . . 0.0 110.674 167.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.48 137.33 35.44 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.814 1.246 . . . . 0.0 111.492 175.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -99.23 118.47 35.99 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.916 1.686 . . . . 0.0 109.275 171.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -160.85 132.99 5.95 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.634 1.174 . . . . 0.0 110.953 -164.243 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.24 24.84 70.8 Favored Glycine 0 CA--C 1.537 1.421 0 N-CA-C 114.922 0.729 . . . . 0.0 114.922 174.17 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.51 21.05 75.93 Favored Glycine 0 CA--C 1.54 1.645 0 CA-C-N 118.326 1.063 . . . . 0.0 114.239 -173.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.73 167.66 21.49 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 126.12 1.768 . . . . 0.0 111.251 179.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.9 t -116.81 131.55 69.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 122.975 0.51 . . . . 0.0 111.768 166.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 -105.34 149.28 26.2 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 126.172 1.789 . . . . 0.0 111.37 170.34 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.4 m -137.21 151.3 26.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 125.434 1.494 . . . . 0.0 111.325 178.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 84.9 m -134.56 130.61 36.81 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 125.493 1.517 . . . . 0.0 112.029 -177.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 36.6 p -104.23 167.3 9.84 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 125.026 1.33 . . . . 0.0 112.982 179.327 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -63.46 -13.16 37.59 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 174.113 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -79.45 3.2 19.22 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.485 1.114 . . . . 0.0 113.331 174.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 60.95 11.24 3.2 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 127.162 2.185 . . . . 0.0 113.942 -165.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -80.98 143.82 32.28 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.677 1.191 . . . . 0.0 111.592 173.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -125.68 152.27 45.47 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.785 1.234 . . . . 0.0 112.584 174.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -134.64 155.9 49.68 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.425 1.49 . . . . 0.0 110.415 173.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.47 142.05 33.65 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.482 1.113 . . . . 0.0 111.948 -175.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -137.83 94.17 11.71 Favored Pre-proline 0 CA--C 1.544 0.723 0 C-N-CA 124.899 1.28 . . . . 0.0 111.359 -169.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -62.73 145.51 94.96 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 123.537 2.824 . . . . 0.0 113.808 177.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.71 5.04 86.97 Favored Glycine 0 CA--C 1.535 1.33 0 C-N-CA 125.015 1.293 . . . . 0.0 114.594 175.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 66.2 mt -107.7 161.88 14.49 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.232 1.413 . . . . 0.0 113.218 178.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.57 161.25 38.19 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.222 1.809 . . . . 0.0 110.544 164.071 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.3 mt -74.11 119.09 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 175.076 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -98.4 -34.58 5.26 Favored Glycine 0 CA--C 1.529 0.957 0 C-N-CA 124.174 0.892 . . . . 0.0 115.106 -177.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 39.4 ttp85 -157.03 143.82 18.42 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 118.656 1.228 . . . . 0.0 111.231 -174.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 42.7 t -132.81 125.7 52.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 124.936 1.294 . . . . 0.0 108.465 176.264 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -134.49 97.36 3.79 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.545 1.138 . . . . 0.0 110.857 -168.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -75.5 -7.3 53.79 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.351 1.46 . . . . 0.0 113.628 -169.358 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 66.7 mtt85 -63.61 -28.36 69.87 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.568 1.147 . . . . 0.0 112.708 173.103 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.2 t -132.4 4.16 3.97 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.84 1.656 . . . . 0.0 112.492 176.055 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 64.53 33.6 87.66 Favored Glycine 0 CA--C 1.535 1.329 0 O-C-N 120.675 -1.266 . . . . 0.0 113.526 -176.112 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.7 t -85.89 130.9 35.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 CA-C-N 118.28 1.04 . . . . 0.0 111.026 -178.149 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 88.0 mt -113.28 118.33 57.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 125.981 1.713 . . . . 0.0 107.657 169.149 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.0 t -116.49 125.42 51.92 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.498 1.119 . . . . 0.0 111.928 -174.144 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.4 mp -104.26 150.59 24.28 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.665 1.586 . . . . 0.0 111.205 -178.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.05 165.02 33.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.202 1.401 . . . . 0.0 111.363 178.115 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -68.02 118.1 10.75 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.552 0.741 . . . . 0.0 110.402 173.281 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -77.2 -21.24 54.2 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -175.255 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -150.92 157.85 43.42 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 126.751 2.02 . . . . 0.0 110.849 164.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 51.6 p30 -142.06 10.33 1.94 Allowed 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 -176.276 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 96.5 mtm-85 . . . . . 0 C--O 1.255 1.379 0 C-N-CA 125.075 1.35 . . . . 0.0 112.171 176.958 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.577 0 CA-C-O 119.438 -0.646 . . . . 0.0 111.715 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo -60.31 159.34 27.27 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 124.061 3.174 . . . . 0.0 114.228 177.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -172.03 169.34 42.44 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.102 1.334 . . . . 0.0 113.376 177.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 17.1 t -156.56 165.68 35.58 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.085 1.354 . . . . 0.0 111.947 -178.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 94.3 mtp -65.98 158.79 27.27 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.205 1.402 . . . . 0.0 113.073 176.136 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 46.0 t -139.33 142.15 37.65 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.995 1.318 . . . . 0.0 111.203 177.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -121.12 152.29 38.88 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.735 1.614 . . . . 0.0 112.079 -173.145 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.97 170.31 16.42 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 124.612 1.165 . . . . 0.0 113.33 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -121.52 129.4 52.88 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.83 1.252 . . . . 0.0 110.725 161.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 74.4 t -99.73 143.3 13.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.861 1.264 . . . . 0.0 110.086 -178.111 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.9 p -134.5 143.82 36.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.174 1.39 . . . . 0.0 111.366 171.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 pp -147.86 157.01 43.31 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.278 1.431 . . . . 0.0 112.304 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 16.7 m -112.58 131.51 55.58 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.932 1.293 . . . . 0.0 110.795 175.119 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 38.3 mtmt -79.84 161.82 25.42 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.457 1.503 . . . . 0.0 112.28 177.365 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.42 -21.74 64.39 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 123.471 0.709 . . . . 0.0 112.872 166.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -69.38 -11.26 60.67 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.166 1.386 . . . . 0.0 114.153 171.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.0 -9.93 54.91 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 125.22 1.39 . . . . 0.0 114.848 -171.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.04 167.75 54.45 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.514 1.054 . . . . 0.0 112.804 170.164 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -127.47 152.94 46.92 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.227 1.411 . . . . 0.0 113.225 -178.247 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 95.1 t -133.2 142.02 43.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 126.165 1.786 . . . . 0.0 109.728 -177.14 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -130.03 149.62 51.67 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.137 1.375 . . . . 0.0 112.127 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 25.1 mt -137.15 122.66 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 125.52 1.528 . . . . 0.0 109.401 -178.253 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -94.74 168.14 27.51 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 124.464 1.031 . . . . 0.0 114.232 176.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 56.41 35.87 26.61 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 125.877 1.671 . . . . 0.0 114.119 173.366 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 72.8 t -75.72 119.01 22.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 125.555 1.542 . . . . 0.0 111.944 -175.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 58.1 mt -79.22 -35.16 42.09 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.667 1.187 . . . . 0.0 112.709 169.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 72.5 tt0 -156.45 147.33 21.95 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 119.182 0.901 . . . . 0.0 113.037 -169.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 46.9 t -134.41 138.62 49.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 125.805 1.642 . . . . 0.0 109.789 174.167 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 37.8 mtt85 -139.36 128.63 24.03 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.529 1.132 . . . . 0.0 110.865 -171.069 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.21 120.52 40.88 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.639 1.175 . . . . 0.0 110.421 171.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -158.92 138.07 11.37 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.469 1.108 . . . . 0.0 112.05 -177.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.52 25.95 73.74 Favored Glycine 0 CA--C 1.538 1.493 0 N-CA-C 115.242 0.857 . . . . 0.0 115.242 172.358 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.18 22.41 76.34 Favored Glycine 0 CA--C 1.539 1.532 0 CA-C-N 117.988 0.894 . . . . 0.0 114.447 -174.034 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.21 157.91 44.61 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.762 1.625 . . . . 0.0 111.271 -179.278 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 92.8 t -111.44 142.31 24.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 123.817 0.847 . . . . 0.0 111.342 169.267 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 58.5 mtt85 -127.74 150.47 49.78 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 126.259 1.823 . . . . 0.0 110.387 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 21.9 t -136.77 144.0 33.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 124.67 1.188 . . . . 0.0 110.957 -172.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 85.0 m -131.4 134.47 46.29 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 124.463 1.105 . . . . 0.0 111.484 176.301 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 30.8 p -107.14 166.98 10.22 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.656 1.582 . . . . 0.0 112.51 178.512 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.21 -7.84 26.95 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 115.151 1.538 . . . . 0.0 115.151 174.7 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -79.4 0.52 28.92 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.473 1.109 . . . . 0.0 112.848 169.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 26.5 t0 59.34 22.75 11.16 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.144 1.778 . . . . 0.0 113.416 -168.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -84.5 141.82 30.48 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.871 1.268 . . . . 0.0 110.773 172.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -122.38 150.03 42.98 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.083 1.353 . . . . 0.0 112.367 -175.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -136.67 155.49 49.81 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.584 1.553 . . . . 0.0 111.156 -179.112 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.82 138.36 27.01 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.208 1.403 . . . . 0.0 112.108 177.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -139.63 90.62 11.12 Favored Pre-proline 0 CA--C 1.542 0.636 0 C-N-CA 125.92 1.688 . . . . 0.0 110.925 -172.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -67.46 146.23 73.78 Favored 'Trans proline' 0 CA--C 1.535 0.561 0 C-N-CA 123.061 2.507 . . . . 0.0 112.136 177.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.01 0.72 88.98 Favored Glycine 0 CA--C 1.538 1.493 0 C-N-CA 124.928 1.251 . . . . 0.0 114.853 -178.262 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 36.4 mt -100.77 162.43 12.91 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.082 1.441 . . . . 0.0 113.743 177.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.52 157.32 45.67 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 127.673 2.389 . . . . 0.0 109.786 165.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 42.6 mt -72.31 118.05 16.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 O-C-N 121.046 -1.034 . . . . 0.0 109.279 176.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -98.01 -35.7 4.98 Favored Glycine 0 CA--C 1.533 1.166 0 CA-C-O 119.382 -0.677 . . . . 0.0 114.512 -173.333 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 46.7 ttt-85 -158.44 148.95 20.18 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 118.186 0.993 . . . . 0.0 111.964 -173.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 10.9 t -131.57 131.53 62.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.584 1.153 . . . . 0.0 109.466 165.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -123.42 111.06 15.89 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 125.718 1.607 . . . . 0.0 109.675 176.502 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -81.77 -14.62 56.19 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.541 1.137 . . . . 0.0 113.314 -174.586 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 38.2 mtm180 -67.36 -38.17 84.36 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.821 1.248 . . . . 0.0 111.621 175.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 12.2 t -106.42 -12.89 15.51 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.022 1.329 . . . . 0.0 114.005 172.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.26 27.32 66.23 Favored Glycine 0 CA--C 1.538 1.493 0 O-C-N 120.71 -1.244 . . . . 0.0 113.98 -172.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 54.8 t -87.22 138.57 18.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 125.446 1.498 . . . . 0.0 111.494 -177.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 87.8 mt -118.07 126.3 74.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 C-N-CA 125.968 1.707 . . . . 0.0 108.06 165.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 16.4 m -111.9 128.02 56.02 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.338 0.655 . . . . 0.0 110.705 176.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 27.1 mt -100.34 146.43 26.96 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 124.713 1.205 . . . . 0.0 111.409 174.278 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -133.53 156.66 41.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 125.46 1.504 . . . . 0.0 110.719 -177.405 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 13.0 mp0 -66.65 131.22 45.51 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.321 -0.862 . . . . 0.0 110.948 175.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.51 -4.09 24.81 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 -163.396 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -118.09 8.29 12.4 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.793 1.637 . . . . 0.0 114.885 173.046 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -110.12 44.17 1.26 Allowed 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.826 2.05 . . . . 0.0 110.748 178.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 54.0 ptt85 . . . . . 0 C--O 1.25 1.12 0 C-N-CA 126.446 1.898 . . . . 0.0 113.366 -172.221 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.6 0 CA-C-O 118.509 -1.162 . . . . 0.0 111.422 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -65.05 -34.79 45.59 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 123.414 2.743 . . . . 0.0 114.14 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -78.69 148.96 32.67 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 124.355 0.979 . . . . 0.0 112.82 174.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 89.0 p -154.58 160.38 41.45 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.099 0.96 . . . . 0.0 113.309 -178.142 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.68 163.53 39.78 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.728 1.611 . . . . 0.0 111.397 175.753 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 40.8 t -81.33 152.39 27.56 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.749 1.22 . . . . 0.0 111.998 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -65.17 162.35 17.28 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.796 0.839 . . . . 0.0 111.98 169.365 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.22 -178.85 2.17 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.694 1.198 . . . . 0.0 113.662 177.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -131.58 148.32 52.6 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.432 1.893 . . . . 0.0 111.487 163.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.8 t -99.38 146.01 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.264 1.025 . . . . 0.0 110.424 175.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.2 p -140.95 141.76 31.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 124.846 1.258 . . . . 0.0 112.381 178.08 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 pp -151.78 157.57 42.15 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.795 1.638 . . . . 0.0 112.842 -178.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.7 m -116.22 133.39 56.08 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.217 1.407 . . . . 0.0 110.715 172.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -84.46 163.1 19.66 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.344 1.858 . . . . 0.0 112.113 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.38 -26.61 67.95 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 179.085 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -80.78 -0.23 37.72 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 124.803 1.241 . . . . 0.0 114.188 173.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.1 -2.1 88.05 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 125.215 1.388 . . . . 0.0 115.57 -179.025 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.5 163.45 54.2 Favored Glycine 0 CA--C 1.536 1.397 0 CA-C-N 118.746 1.273 . . . . 0.0 112.381 169.134 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -128.81 152.44 48.47 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.42 1.088 . . . . 0.0 113.15 -177.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.5 t -134.7 138.11 49.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 125.318 1.447 . . . . 0.0 109.654 -178.388 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.2 mp0 -125.7 142.58 51.44 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 124.913 1.285 . . . . 0.0 110.944 175.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -126.94 96.08 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 125.412 1.485 . . . . 0.0 109.194 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.27 163.01 44.56 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 124.16 0.886 . . . . 0.0 113.843 178.315 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 53.14 40.99 32.13 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.072 1.349 . . . . 0.0 112.778 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.5 p -71.4 136.65 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 124.048 0.939 . . . . 0.0 111.46 179.046 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 33.4 mt -101.2 -31.11 11.17 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.797 0.839 . . . . 0.0 112.738 174.624 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -154.16 143.31 21.26 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.318 1.047 . . . . 0.0 112.405 -177.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.2 t -136.21 142.2 39.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 126.478 1.911 . . . . 0.0 109.897 174.401 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -135.64 138.69 43.12 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.83 1.652 . . . . 0.0 111.272 174.214 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.44 134.04 35.33 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.779 1.232 . . . . 0.0 109.621 161.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -129.4 177.97 6.8 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.839 1.656 . . . . 0.0 111.105 -176.197 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.53 -7.34 10.44 Favored Glycine 0 CA--C 1.538 1.524 0 N-CA-C 117.227 1.651 . . . . 0.0 117.227 -171.083 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -158.12 11.1 0.22 Allowed Glycine 0 CA--C 1.538 1.526 0 CA-C-N 118.802 1.301 . . . . 0.0 115.852 173.118 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -161.75 160.04 27.91 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 119.291 1.546 . . . . 0.0 112.789 -174.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 56.7 t -94.4 142.54 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.318 0.647 . . . . 0.0 109.865 155.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 51.5 mtt85 -129.11 143.94 51.03 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.961 1.704 . . . . 0.0 110.965 173.563 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -152.55 141.76 14.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 124.294 1.038 . . . . 0.0 112.509 -169.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.4 m -127.05 139.14 53.22 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.471 1.508 . . . . 0.0 111.732 -177.012 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 34.0 p -109.01 167.46 10.08 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.443 1.497 . . . . 0.0 114.331 -171.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.0 tt -55.16 -28.71 54.78 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.77 2.028 . . . . 0.0 113.373 171.034 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -80.05 6.73 10.7 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.183 1.393 . . . . 0.0 113.731 178.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 61.32 11.25 3.52 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 127.251 2.221 . . . . 0.0 114.661 -170.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -81.86 146.14 30.01 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.496 1.119 . . . . 0.0 111.07 172.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -135.3 137.36 42.4 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.016 1.726 . . . . 0.0 111.152 -174.243 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -128.33 152.13 48.51 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 125.689 1.596 . . . . 0.0 111.53 -171.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -130.4 139.71 50.61 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 125.133 1.373 . . . . 0.0 111.764 172.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -133.35 91.63 26.6 Favored Pre-proline 0 CA--C 1.543 0.698 0 C-N-CA 125.701 1.601 . . . . 0.0 110.491 -176.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -66.4 148.18 83.78 Favored 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 123.494 2.796 . . . . 0.0 113.069 -176.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.17 -1.14 76.89 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 125.978 1.752 . . . . 0.0 115.397 -178.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 34.9 mt -96.87 162.64 13.32 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 119.379 1.59 . . . . 0.0 113.832 178.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.03 160.47 39.87 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 127.883 2.473 . . . . 0.0 110.448 164.195 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.5 mt -72.14 118.03 16.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 O-C-N 121.321 -0.862 . . . . 0.0 109.036 175.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.47 -42.4 4.24 Favored Glycine 0 CA--C 1.53 1.016 0 C-N-CA 123.848 0.737 . . . . 0.0 113.848 -175.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -156.52 147.8 22.32 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.631 1.172 . . . . 0.0 112.148 -174.31 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 39.1 t -131.52 114.74 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 125.956 1.702 . . . . 0.0 109.202 174.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -98.14 107.57 20.07 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 125.074 1.35 . . . . 0.0 110.496 174.114 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -76.42 -20.66 56.87 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 121.767 -0.583 . . . . 0.0 111.531 173.443 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 70.1 mtm180 -66.56 -22.79 66.15 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 125.082 1.353 . . . . 0.0 113.896 174.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 96.2 p -133.3 -9.52 2.92 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 -177.135 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.39 42.04 43.11 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 124.251 0.929 . . . . 0.0 113.411 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.5 t -122.0 126.64 74.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 CA-C-N 118.343 1.071 . . . . 0.0 111.752 -176.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 98.9 mt -104.11 109.91 28.72 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 126.369 1.867 . . . . 0.0 108.186 171.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.6 t -98.15 125.64 43.26 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.511 1.124 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 25.2 mt -96.93 151.09 20.03 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.11 0.964 . . . . 0.0 111.693 176.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -133.66 155.02 39.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 126.188 1.795 . . . . 0.0 110.685 179.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.5 mp0 -67.78 124.25 22.79 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.575 0.75 . . . . 0.0 110.204 173.126 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.48 -16.48 61.29 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 -168.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -72.11 5.58 2.67 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 115.444 1.646 . . . . 0.0 115.444 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -87.79 7.14 31.84 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 126.799 2.04 . . . . 0.0 113.549 170.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 82.9 mmt-85 . . . . . 0 C--O 1.249 1.034 0 C-N-CA 126.484 1.914 . . . . 0.0 111.067 -177.992 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.389 0 CA-C-O 119.27 -0.739 . . . . 0.0 111.537 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -66.72 155.37 70.8 Favored 'Trans proline' 0 CA--C 1.537 0.667 0 C-N-CA 123.564 2.843 . . . . 0.0 113.284 -177.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . 79.14 -16.08 9.93 Favored Glycine 0 CA--C 1.538 1.519 0 C-N-CA 125.629 1.585 . . . . 0.0 115.936 176.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 8.7 t 63.79 -36.32 0.17 Allowed 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 128.178 2.591 . . . . 0.0 116.813 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 3.0 tmm? -62.78 148.52 46.61 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.827 2.051 . . . . 0.0 112.255 177.015 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 45.6 t -142.7 133.3 25.17 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.028 0.931 . . . . 0.0 111.745 173.219 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 5.0 mpp? -70.38 160.42 32.34 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.455 1.502 . . . . 0.0 113.944 -177.16 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.47 -170.97 0.72 Allowed 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.239 1.416 . . . . 0.0 112.652 168.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -141.06 152.84 45.15 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.428 1.891 . . . . 0.0 111.731 168.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 14.9 t -104.76 146.68 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 124.908 1.283 . . . . 0.0 110.953 176.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 8.6 p -139.01 144.92 28.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 125.569 1.548 . . . . 0.0 112.447 173.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 pp -143.85 158.65 43.54 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.161 1.784 . . . . 0.0 110.369 169.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 26.1 m -122.14 130.66 53.43 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.17 0.988 . . . . 0.0 111.27 177.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -81.57 161.92 23.35 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.314 1.846 . . . . 0.0 112.314 -178.345 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.99 -24.58 67.12 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.057 0.943 . . . . 0.0 113.405 173.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -74.07 -5.83 43.94 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.522 1.529 . . . . 0.0 114.178 172.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.61 -3.93 86.46 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.708 1.623 . . . . 0.0 115.607 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -84.22 151.08 26.68 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 124.697 1.142 . . . . 0.0 112.222 172.195 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 86.2 mtm-85 -96.83 160.1 14.55 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 117.895 0.847 . . . . 0.0 112.849 176.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 62.2 t -127.16 135.54 63.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.812 1.645 . . . . 0.0 108.431 165.235 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -137.76 144.86 41.82 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.608 1.163 . . . . 0.0 112.078 -171.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -132.57 108.52 13.49 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 125.134 1.374 . . . . 0.0 110.239 -175.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.37 167.29 42.92 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 124.24 0.924 . . . . 0.0 113.605 174.134 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 55.44 35.88 25.97 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.205 1.402 . . . . 0.0 114.174 175.322 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 11.3 p -75.16 134.28 29.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 124.465 1.106 . . . . 0.0 112.245 -176.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 75.9 mt -97.09 -29.89 13.36 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.257 1.423 . . . . 0.0 112.468 176.096 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -159.36 139.07 11.62 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.06 0.944 . . . . 0.0 111.986 -168.539 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 9.0 t -139.73 137.54 39.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 125.606 1.562 . . . . 0.0 109.996 176.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 4.4 ptt85 -153.22 141.89 20.94 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.366 1.066 . . . . 0.0 112.801 -172.588 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -97.86 127.66 43.96 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.128 1.371 . . . . 0.0 110.15 176.436 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -151.9 125.01 8.65 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.389 1.076 . . . . 0.0 111.343 -168.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.19 24.13 62.88 Favored Glycine 0 CA--C 1.538 1.524 0 N-CA-C 115.899 1.12 . . . . 0.0 115.899 172.528 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.31 16.28 69.52 Favored Glycine 0 CA--C 1.537 1.439 0 CA-C-N 118.53 1.165 . . . . 0.0 114.777 -173.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.77 168.44 15.12 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 127.16 2.184 . . . . 0.0 111.336 174.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 92.0 t -115.0 139.88 39.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 123.867 0.867 . . . . 0.0 110.662 165.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -118.93 144.15 46.6 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.683 1.993 . . . . 0.0 110.56 173.044 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -145.81 134.28 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 124.249 1.02 . . . . 0.0 111.244 -176.278 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 5.2 m -127.29 134.79 49.99 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.501 1.121 . . . . 0.0 112.234 -168.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 36.2 p -106.71 167.31 9.95 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 125.552 1.541 . . . . 0.0 113.448 -175.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.65 -7.16 24.49 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 115.373 1.62 . . . . 0.0 115.373 172.305 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -79.24 1.1 25.94 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.172 0.989 . . . . 0.0 112.822 170.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 26.7 t0 59.15 19.11 7.07 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.513 1.925 . . . . 0.0 113.683 -166.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -88.76 135.66 33.4 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.203 1.401 . . . . 0.0 110.356 172.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -124.35 134.17 53.23 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.738 1.215 . . . . 0.0 111.335 -179.383 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -108.17 151.1 26.37 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 127.16 2.184 . . . . 0.0 110.665 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -139.84 137.75 35.18 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.386 1.074 . . . . 0.0 111.699 177.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -137.25 91.93 14.16 Favored Pre-proline 0 CA--C 1.54 0.579 0 C-N-CA 125.338 1.455 . . . . 0.0 110.693 -172.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -69.39 145.88 60.74 Favored 'Trans proline' 0 CA--C 1.535 0.553 0 C-N-CA 123.263 2.642 . . . . 0.0 112.872 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.11 -1.11 89.15 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 125.183 1.373 . . . . 0.0 115.382 -176.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 24.6 mt -98.36 163.99 12.47 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 118.77 1.285 . . . . 0.0 113.777 178.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.88 159.41 42.23 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 128.266 2.626 . . . . 0.0 109.925 163.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 52.9 mt -71.74 116.3 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 175.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.09 -39.75 3.95 Favored Glycine 0 CA--C 1.53 1.018 0 C-N-CA 124.53 1.062 . . . . 0.0 114.921 -172.139 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -155.32 150.77 27.19 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.554 1.142 . . . . 0.0 111.765 -174.572 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 33.5 t -140.14 132.44 33.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 125.523 1.529 . . . . 0.0 109.783 175.135 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.09 115.09 19.94 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.337 1.055 . . . . 0.0 110.756 173.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -80.12 -23.2 41.36 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.812 1.245 . . . . 0.0 112.583 -177.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -65.71 -41.41 92.32 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.527 1.131 . . . . 0.0 112.254 171.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 18.4 t -88.76 -25.37 22.32 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.176 0.99 . . . . 0.0 113.403 177.141 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.75 48.99 11.21 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 124.325 0.964 . . . . 0.0 112.463 -174.027 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 9.6 p -136.13 144.02 34.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.797 0.839 . . . . 0.0 113.112 -173.443 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 97.7 mt -116.58 132.93 64.8 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 127.546 2.339 . . . . 0.0 107.835 172.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 36.4 t -125.36 126.38 44.95 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.968 1.307 . . . . 0.0 111.404 -176.033 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 22.1 mt -99.85 149.31 23.52 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.867 1.267 . . . . 0.0 111.86 -177.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -132.54 154.24 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 125.812 1.645 . . . . 0.0 110.842 179.418 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -69.32 125.28 26.21 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.874 -0.517 . . . . 0.0 110.85 172.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -74.0 -15.25 61.1 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -175.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -70.56 5.87 1.66 Allowed 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.944 1.698 . . . . 0.0 115.493 175.423 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -78.98 -13.03 60.04 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.134 1.374 . . . . 0.0 113.451 167.398 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 33.8 mtp-105 . . . . . 0 C--O 1.251 1.156 0 C-N-CA 126.42 1.888 . . . . 0.0 112.3 176.946 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.771 0 N-CA-C 112.146 -0.381 . . . . 0.0 112.146 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -68.58 154.54 71.36 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 C-N-CA 124.151 3.234 . . . . 0.0 112.611 179.208 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -163.74 25.74 0.2 Allowed Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.206 0.908 . . . . 0.0 114.834 -178.139 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 15.8 m -68.93 -8.65 46.3 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 115.876 1.806 . . . . 0.0 115.876 -170.073 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ptm -142.23 160.12 40.87 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.243 1.817 . . . . 0.0 111.313 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.2 t -142.89 173.87 11.17 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.072 1.349 . . . . 0.0 111.676 -176.044 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -137.81 149.68 46.56 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.818 1.647 . . . . 0.0 110.886 172.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -101.91 161.57 13.57 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.892 1.277 . . . . 0.0 113.043 178.234 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 72.1 tttt -91.57 127.68 37.11 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.186 0.995 . . . . 0.0 108.953 156.095 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.3 t -104.91 138.11 31.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.807 0.843 . . . . 0.0 109.994 171.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.8 p -134.4 139.94 46.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 125.023 1.329 . . . . 0.0 111.683 178.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 pp -147.12 163.03 37.6 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.993 1.717 . . . . 0.0 111.335 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.9 m -122.37 129.95 52.63 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.161 0.984 . . . . 0.0 110.68 171.029 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -74.48 165.36 25.33 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.621 1.568 . . . . 0.0 112.219 -179.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.52 -24.52 66.67 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 124.164 0.986 . . . . 0.0 113.645 175.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -79.29 -2.0 39.29 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.075 1.35 . . . . 0.0 114.281 172.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.46 -1.65 88.3 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 125.534 1.54 . . . . 0.0 115.714 179.196 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -85.63 138.81 16.68 Favored Glycine 0 CA--C 1.532 1.112 0 CA-C-N 118.899 1.35 . . . . 0.0 112.445 175.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 80.0 mtm-85 -80.07 157.63 26.66 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 118.446 1.123 . . . . 0.0 113.294 177.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 91.8 t -130.57 133.75 63.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 125.88 1.672 . . . . 0.0 108.497 164.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -130.97 131.02 44.13 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.391 1.476 . . . . 0.0 110.127 -176.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.9 mt -132.22 109.97 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 125.028 1.331 . . . . 0.0 109.807 -168.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.29 163.22 40.94 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 124.021 0.82 . . . . 0.0 113.662 176.345 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 55.48 38.73 30.66 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.806 1.642 . . . . 0.0 114.772 172.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 80.2 t -75.3 118.96 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.436 1.094 . . . . 0.0 110.766 174.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 50.7 mt -74.54 -38.3 62.78 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.206 1.402 . . . . 0.0 112.206 175.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -153.59 144.53 22.78 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.797 1.239 . . . . 0.0 111.249 -179.108 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.7 p -133.25 137.34 53.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 126.186 1.795 . . . . 0.0 110.451 175.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -133.33 138.06 46.2 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.749 1.619 . . . . 0.0 111.859 -175.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.46 112.32 23.91 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 163.188 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 58.3 tt0 -151.43 122.59 7.71 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.745 0.818 . . . . 0.0 112.194 -166.372 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 64.21 32.46 84.27 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 124.357 0.979 . . . . 0.0 114.835 173.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.38 16.67 77.69 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 124.311 0.958 . . . . 0.0 115.085 -177.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.77 152.38 46.55 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.602 1.561 . . . . 0.0 110.975 177.275 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.2 t -91.99 137.96 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 O-C-N 121.989 -0.444 . . . . 0.0 110.631 163.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.2 mtt180 -131.7 139.86 49.14 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 126.065 1.746 . . . . 0.0 110.3 -171.089 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.1 m -131.23 150.23 34.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 124.749 1.219 . . . . 0.0 112.587 -174.404 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 58.4 m -125.17 126.88 45.95 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.785 1.234 . . . . 0.0 110.117 168.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 43.6 p -96.06 160.49 14.42 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.322 1.049 . . . . 0.0 113.273 -178.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.7 tt -52.58 -29.19 24.42 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.205 1.802 . . . . 0.0 113.359 166.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -77.72 5.56 9.12 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.36 1.464 . . . . 0.0 113.909 176.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.315 2.0 p30 59.3 10.89 1.92 Allowed 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 129.095 2.958 . . . . 0.0 115.244 -172.465 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -79.61 145.11 33.24 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.8 1.24 . . . . 0.0 111.18 169.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -127.02 148.69 50.11 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.256 1.422 . . . . 0.0 112.146 178.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -142.01 158.26 43.98 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.533 1.533 . . . . 0.0 111.013 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -143.56 143.84 31.69 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.166 1.386 . . . . 0.0 112.265 177.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -136.83 94.96 12.57 Favored Pre-proline 0 CA--C 1.545 0.758 0 C-N-CA 125.935 1.694 . . . . 0.0 111.084 -168.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_exo -61.93 147.44 95.18 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 123.8 3.0 . . . . 0.0 114.418 -179.244 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.17 4.14 90.32 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 125.11 1.338 . . . . 0.0 114.776 176.481 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.2 mt -103.2 162.53 12.9 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.452 1.101 . . . . 0.0 113.347 178.018 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.89 158.1 44.63 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 127.767 2.427 . . . . 0.0 109.901 165.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 59.5 mt -69.64 118.48 14.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 O-C-N 121.087 -1.008 . . . . 0.0 109.134 178.415 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.56 -61.17 1.39 Allowed Glycine 0 N--CA 1.469 0.889 0 C-N-CA 124.574 1.083 . . . . 0.0 113.653 -171.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -148.25 157.34 43.43 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 179.095 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 18.4 t -128.35 127.49 67.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 126.893 2.077 . . . . 0.0 108.995 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -124.46 92.54 3.68 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.88 1.272 . . . . 0.0 110.895 -178.664 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -70.56 -10.14 58.51 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 121.265 -0.897 . . . . 0.0 113.082 -177.327 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.7 mtm-85 -60.35 -27.39 67.33 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 125.948 1.699 . . . . 0.0 113.104 167.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.0 m -135.33 -7.06 2.27 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.057 1.343 . . . . 0.0 113.965 -176.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.49 21.72 79.33 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 124.284 0.945 . . . . 0.0 114.041 -176.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 47.7 t -96.73 138.87 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.701 1.2 . . . . 0.0 111.23 -178.033 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 63.8 mt -119.13 119.68 61.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 C-N-CA 127.506 2.323 . . . . 0.0 108.542 174.345 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.0 t -102.37 130.34 49.09 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.975 0.91 . . . . 0.0 111.522 177.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.8 mt -98.66 148.86 23.4 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.039 1.336 . . . . 0.0 111.617 176.212 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -135.32 163.16 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 126.007 1.723 . . . . 0.0 110.623 -178.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.3 mp0 -64.46 137.41 57.86 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.565 -0.71 . . . . 0.0 110.941 176.339 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -70.12 -11.41 60.87 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 -175.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -135.74 143.7 45.46 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.06 1.744 . . . . 0.0 110.225 165.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -128.57 16.59 6.46 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 -163.31 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 . . . . . 0 C--O 1.253 1.258 0 C-N-CA 126.818 2.047 . . . . 0.0 111.98 -178.409 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.33 0 N-CA-C 112.173 -0.371 . . . . 0.0 112.173 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.03 157.6 61.19 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 123.842 3.028 . . . . 0.0 112.748 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -73.86 153.59 47.3 Favored Glycine 0 CA--C 1.538 1.5 0 C-N-CA 123.72 0.676 . . . . 0.0 113.132 174.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 7.3 t 60.6 179.39 0.1 Allowed 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.641 1.576 . . . . 0.0 114.065 -174.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.6 ptm -151.02 172.34 15.87 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.885 1.674 . . . . 0.0 112.438 -176.169 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 29.5 p -140.84 175.13 9.87 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.148 1.779 . . . . 0.0 111.727 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -54.42 -45.88 73.08 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.927 1.291 . . . . 0.0 113.254 -173.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -157.8 165.38 35.46 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 124.977 1.311 . . . . 0.0 111.333 165.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -134.19 133.43 40.93 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.494 1.118 . . . . 0.0 111.801 169.18 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 49.8 t -98.54 145.72 9.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.972 1.309 . . . . 0.0 110.642 -179.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 8.8 p -138.63 140.97 38.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 125.397 1.479 . . . . 0.0 111.585 174.024 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -148.33 160.91 42.52 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.384 1.474 . . . . 0.0 112.272 176.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 23.6 m -114.52 131.69 56.56 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.218 1.407 . . . . 0.0 111.026 176.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -80.43 164.04 23.36 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.029 1.732 . . . . 0.0 112.555 178.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.49 -25.66 68.09 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.292 1.037 . . . . 0.0 113.682 175.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 49.5 p30 -79.15 -0.05 30.2 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.764 1.226 . . . . 0.0 114.263 174.366 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.97 -5.25 83.48 Favored Glycine 0 CA--C 1.539 1.57 0 C-N-CA 125.747 1.641 . . . . 0.0 115.161 -178.318 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.44 167.83 54.81 Favored Glycine 0 CA--C 1.534 1.25 0 CA-C-N 119.253 1.526 . . . . 0.0 112.72 171.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -127.46 151.95 48.18 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.633 1.173 . . . . 0.0 113.226 -177.206 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 40.1 t -129.21 147.2 33.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 126.739 2.016 . . . . 0.0 109.098 -175.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -139.58 148.32 42.37 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.56 1.144 . . . . 0.0 112.056 177.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -132.24 123.14 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 125.167 1.387 . . . . 0.0 109.503 176.599 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.6 174.12 26.65 Favored Glycine 0 CA--C 1.538 1.497 0 C-N-CA 125.415 1.483 . . . . 0.0 113.457 173.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 56.22 32.44 20.29 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.008 1.323 . . . . 0.0 113.318 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 79.2 t -72.85 134.64 29.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 125.149 1.38 . . . . 0.0 110.927 -175.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 20.7 tp -117.82 -22.53 7.92 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.94 1.296 . . . . 0.0 113.181 -178.23 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -152.15 140.8 20.83 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.265 1.426 . . . . 0.0 111.47 178.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 17.9 t -142.09 143.0 27.15 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 C-N-CA 125.194 1.398 . . . . 0.0 109.858 171.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 1.9 ptt85 -152.62 143.76 23.13 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 176.265 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.88 126.21 34.51 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.27 1.428 . . . . 0.0 108.679 168.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -158.27 129.01 6.28 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.058 0.943 . . . . 0.0 111.109 -166.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 62.3 25.3 66.52 Favored Glycine 0 CA--C 1.538 1.492 0 N-CA-C 115.698 1.039 . . . . 0.0 115.698 171.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.79 21.27 69.02 Favored Glycine 0 CA--C 1.538 1.511 0 CA-C-N 118.385 1.092 . . . . 0.0 114.209 -173.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.81 176.03 9.13 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 127.191 2.196 . . . . 0.0 110.796 179.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 79.7 t -115.38 138.33 46.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 123.694 0.798 . . . . 0.0 111.193 165.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -113.89 144.02 43.72 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 126.487 1.915 . . . . 0.0 109.765 169.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -146.85 138.41 18.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 124.437 1.095 . . . . 0.0 110.92 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 4.4 m -131.07 134.23 46.42 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.597 1.159 . . . . 0.0 111.159 -176.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 24.6 p -81.22 166.67 20.37 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.384 1.074 . . . . 0.0 112.053 174.512 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 pp -66.87 -10.07 44.4 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 114.536 1.309 . . . . 0.0 114.536 171.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -85.66 5.8 30.37 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.785 1.234 . . . . 0.0 112.96 169.253 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 62.77 17.17 9.64 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.638 1.975 . . . . 0.0 114.706 -173.058 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -79.49 125.83 30.07 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.107 -0.996 . . . . 0.0 110.157 172.065 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -112.94 138.86 49.17 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.763 0.825 . . . . 0.0 112.663 -173.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 56.6 m-70 -126.28 152.03 46.7 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 127.162 2.185 . . . . 0.0 110.42 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.6 145.28 31.71 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.63 0.772 . . . . 0.0 112.555 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -138.85 97.48 8.94 Favored Pre-proline 0 CA--C 1.545 0.759 0 C-N-CA 125.366 1.467 . . . . 0.0 111.004 -171.505 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -61.47 147.46 95.41 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.623 2.882 . . . . 0.0 114.431 178.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.83 -4.15 58.23 Favored Glycine 0 CA--C 1.535 1.331 0 C-N-CA 125.002 1.287 . . . . 0.0 114.936 177.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 25.2 mt -90.71 163.14 14.61 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.112 1.456 . . . . 0.0 113.71 179.059 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.07 160.69 39.54 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 127.904 2.482 . . . . 0.0 110.197 163.305 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 48.6 mt -72.64 119.03 18.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 O-C-N 121.461 -0.775 . . . . 0.0 109.103 176.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -86.23 -44.72 5.84 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 124.587 1.089 . . . . 0.0 113.338 -177.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 28.4 ptt85 -157.84 155.73 30.21 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.632 1.173 . . . . 0.0 112.663 175.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 34.1 t -125.38 125.64 69.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 124.424 1.09 . . . . 0.0 108.638 170.104 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -127.21 83.46 2.17 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.111 1.364 . . . . 0.0 109.929 -166.428 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.415 HD22 ' H ' ' B' ' 53' ' ' LEU . 2.2 mm? -67.58 -16.42 64.17 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.696 1.598 . . . . 0.0 112.871 -170.025 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 22.2 mtp-105 -56.2 -26.98 52.95 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 126.103 1.761 . . . . 0.0 113.187 168.059 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 39.9 m -133.68 3.99 3.58 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.873 1.669 . . . . 0.0 114.171 179.313 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 67.15 17.55 68.13 Favored Glycine 0 CA--C 1.54 1.652 0 C-N-CA 124.806 1.193 . . . . 0.0 115.106 -176.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 71.1 t -85.93 134.67 26.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-N 118.285 1.042 . . . . 0.0 111.711 -173.236 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 96.7 mt -116.62 108.66 25.6 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 126.051 1.74 . . . . 0.0 107.779 169.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 26.7 t -97.85 129.0 44.84 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 121.287 -0.883 . . . . 0.0 111.457 -177.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 18.9 mt -108.34 146.23 33.29 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.341 1.057 . . . . 0.0 112.02 177.572 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -139.17 161.95 28.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 126.056 1.742 . . . . 0.0 110.759 -179.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -65.09 135.52 55.63 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.057 -1.027 . . . . 0.0 111.255 174.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -73.22 -6.65 47.28 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 -176.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 63.5 mm-40 -79.0 4.91 13.02 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 116.025 1.861 . . . . 0.0 116.025 176.521 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 64.7 m-80 -82.3 32.61 0.4 Allowed 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 126.524 1.93 . . . . 0.0 113.742 177.162 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 . . . . . 0 C--O 1.253 1.245 0 C-N-CA 126.205 1.802 . . . . 0.0 112.613 -177.894 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.665 0 CA-C-O 122.087 0.946 . . . . 0.0 113.458 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -133.02 144.93 50.39 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.8 1.64 . . . . 0.0 111.567 171.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 86.9 t -102.25 144.88 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 125.084 1.354 . . . . 0.0 110.95 176.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.0 p -136.51 141.07 42.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.803 1.641 . . . . 0.0 111.433 171.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 N--CA 1.472 0.653 0 C-N-CA 125.054 1.342 . . . . 0.0 113.145 -177.211 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 77.8 t . . . . . 0 N--CA 1.476 0.847 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -130.42 143.61 50.87 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.95 1.3 . . . . 0.0 110.96 175.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -130.45 114.01 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 124.809 1.244 . . . . 0.0 109.587 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.29 163.34 30.14 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 124.075 0.845 . . . . 0.0 113.853 178.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 54.82 41.77 31.66 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 126.068 1.747 . . . . 0.0 113.961 173.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.0 m -73.73 136.39 25.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 O-C-N 121.358 -0.839 . . . . 0.0 111.724 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.8 mt -90.97 -28.53 17.97 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.097 1.359 . . . . 0.0 112.015 173.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 64.3 tt0 -158.41 150.53 21.68 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.847 0.859 . . . . 0.0 112.567 178.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.2 t -134.65 138.1 50.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 126.631 1.972 . . . . 0.0 109.552 171.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -137.37 136.97 38.38 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 125.31 1.444 . . . . 0.0 111.726 -179.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.682 0 C-N-CA 123.651 0.78 . . . . 0.0 109.09 165.128 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.652 0 CA-C-O 121.299 0.571 . . . . 0.0 111.421 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 88.7 t -109.39 128.3 65.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 O-C-N 121.746 -0.596 . . . . 0.0 110.662 163.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -99.57 147.01 25.8 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.862 1.665 . . . . 0.0 110.334 168.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -152.3 139.07 12.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 123.495 0.718 . . . . 0.0 111.694 175.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.0 m -126.07 145.58 50.27 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.053 1.341 . . . . 0.0 110.91 -171.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 43.5 p -122.32 164.98 16.97 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 125.089 1.356 . . . . 0.0 113.232 -172.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.09 -5.18 20.52 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 171.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -79.5 4.51 15.45 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.529 1.132 . . . . 0.0 112.858 170.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 60.83 14.06 4.89 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.803 2.041 . . . . 0.0 113.987 -167.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -89.33 146.14 24.9 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.935 1.294 . . . . 0.0 111.386 175.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.2 tt0 -132.11 132.47 43.31 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.891 1.277 . . . . 0.0 110.937 175.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -111.97 154.36 25.4 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 126.277 1.831 . . . . 0.0 111.269 -179.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -138.57 136.4 35.98 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.752 1.221 . . . . 0.0 111.526 173.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -132.06 92.55 29.11 Favored Pre-proline 0 C--O 1.239 0.534 0 C-N-CA 125.409 1.484 . . . . 0.0 110.281 -173.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -68.94 147.08 67.36 Favored 'Trans proline' 0 CA--C 1.54 0.817 0 C-N-CA 123.258 2.639 . . . . 0.0 112.876 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.37 6.91 85.55 Favored Glycine 0 CA--C 1.53 1.029 0 C-N-CA 125.018 1.294 . . . . 0.0 114.699 -178.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.6 mt -108.69 163.25 13.42 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.219 1.408 . . . . 0.0 113.106 178.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.09 160.57 39.63 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 127.375 2.27 . . . . 0.0 110.278 164.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 55.6 mt -72.58 116.43 14.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 O-C-N 121.583 -0.698 . . . . 0.0 109.265 174.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.49 -38.31 4.26 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 123.951 0.786 . . . . 0.0 114.436 -175.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -153.23 145.67 24.07 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.294 1.037 . . . . 0.0 111.703 -173.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 41.4 t -134.21 112.11 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 C-N-CA 125.514 1.526 . . . . 0.0 108.17 174.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -110.55 91.45 3.66 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.546 1.539 . . . . 0.0 110.896 -175.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -69.83 -12.12 61.38 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.109 1.364 . . . . 0.0 113.463 -173.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 59.6 mtt85 -61.86 -29.79 70.42 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.661 1.184 . . . . 0.0 112.233 171.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.8 m -129.74 -8.4 4.52 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.732 1.613 . . . . 0.0 114.017 -177.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.2 25.9 67.55 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 124.606 1.098 . . . . 0.0 114.234 -177.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.6 t -94.79 127.89 46.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 CA-C-N 118.362 1.081 . . . . 0.0 111.368 -177.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 92.5 mt -108.79 112.01 38.56 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 C-N-CA 126.347 1.859 . . . . 0.0 108.404 173.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.3 m -100.42 123.86 45.19 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.504 0.722 . . . . 0.0 110.879 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.9 mt -91.07 151.83 20.87 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.082 0.953 . . . . 0.0 111.134 173.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -131.92 151.5 35.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 125.583 1.553 . . . . 0.0 110.509 178.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.9 mp0 -69.37 127.87 34.57 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.783 0.833 . . . . 0.0 111.129 176.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.547 0.853 0 C-N-CA 123.673 0.789 . . . . 0.0 112.691 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 5.4 mpp? . . . . . 0 CA--C 1.541 0.609 0 N-CA-C 114.09 1.144 . . . . 0.0 114.09 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.61 -179.82 5.52 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.404 1.481 . . . . 0.0 112.72 172.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -137.29 143.42 42.13 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.516 1.526 . . . . 0.0 111.752 168.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 89.4 t -100.86 145.82 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 125.369 1.468 . . . . 0.0 111.011 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 9.7 p -133.49 143.67 38.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 125.681 1.592 . . . . 0.0 111.8 168.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp -147.91 155.53 41.69 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.684 1.594 . . . . 0.0 112.284 177.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 22.0 m -110.3 132.05 54.52 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.77 1.228 . . . . 0.0 110.854 176.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -81.09 162.02 23.9 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.161 1.784 . . . . 0.0 112.493 178.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.76 -22.98 66.96 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.04 0.936 . . . . 0.0 113.509 173.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -74.94 -7.38 53.4 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.125 1.37 . . . . 0.0 114.067 173.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.13 -6.37 79.65 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 125.262 1.411 . . . . 0.0 114.931 -175.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.52 168.65 54.48 Favored Glycine 0 CA--C 1.533 1.211 0 CA-C-N 118.421 1.11 . . . . 0.0 112.553 169.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -127.82 153.23 46.84 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.675 1.19 . . . . 0.0 112.847 -178.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 75.6 t -134.15 142.05 42.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 126.095 1.758 . . . . 0.0 109.222 -177.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -129.03 149.79 50.7 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.793 1.237 . . . . 0.0 111.861 176.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -128.81 112.33 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 125.208 1.403 . . . . 0.0 108.337 174.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.29 154.9 26.71 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 124.019 0.819 . . . . 0.0 114.234 -176.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 52.15 48.14 23.3 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 126.177 1.791 . . . . 0.0 113.737 171.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 34.8 m -75.6 135.14 27.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 O-C-N 120.833 -1.167 . . . . 0.0 112.314 -176.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 92.1 mt -80.95 -31.16 35.04 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.69 1.196 . . . . 0.0 111.823 172.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -160.21 147.13 16.0 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.989 0.916 . . . . 0.0 112.923 -174.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t -134.29 138.86 49.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 126.042 1.737 . . . . 0.0 109.472 170.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -133.1 140.75 47.81 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 126.71 2.004 . . . . 0.0 110.458 -175.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.607 0 C-N-CA 124.604 1.162 . . . . 0.0 111.154 167.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.781 0 CA-C-O 121.411 0.624 . . . . 0.0 112.669 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -110.92 145.87 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 125.162 1.385 . . . . 0.0 110.825 161.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -130.26 148.86 52.14 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.1 1.76 . . . . 0.0 110.502 173.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -154.07 141.3 12.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 123.509 0.724 . . . . 0.0 112.696 -173.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 85.1 m -122.81 136.86 55.01 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.257 1.423 . . . . 0.0 112.04 -174.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 44.7 p -101.32 166.36 10.79 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.804 1.642 . . . . 0.0 113.525 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -64.52 -12.97 50.02 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 114.252 1.205 . . . . 0.0 114.252 171.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -79.44 2.76 20.68 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.227 1.411 . . . . 0.0 113.353 175.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.8 t0 60.14 23.81 13.1 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 126.149 1.78 . . . . 0.0 113.059 -167.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -99.73 136.12 40.13 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.495 1.518 . . . . 0.0 110.582 174.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -122.31 146.0 47.72 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.295 1.438 . . . . 0.0 111.696 -177.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -128.55 156.01 43.99 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 126.094 1.758 . . . . 0.0 111.109 -174.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.38 140.24 31.97 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.844 1.258 . . . . 0.0 111.814 178.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -139.21 92.19 10.82 Favored Pre-proline 0 CA--C 1.543 0.677 0 C-N-CA 125.744 1.618 . . . . 0.0 110.89 -173.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -62.23 148.6 92.95 Favored 'Trans proline' 0 CA--C 1.537 0.638 0 C-N-CA 123.599 2.866 . . . . 0.0 113.988 176.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.25 1.46 88.17 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 125.524 1.535 . . . . 0.0 114.783 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 54.5 mt -102.52 162.69 12.72 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 118.833 1.317 . . . . 0.0 112.995 177.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.26 158.95 43.21 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 128.153 2.581 . . . . 0.0 109.876 165.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 50.8 mt -70.66 118.91 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 O-C-N 121.233 -0.917 . . . . 0.0 109.503 177.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.31 -48.55 3.73 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 124.525 1.059 . . . . 0.0 113.31 -176.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -152.98 160.14 42.99 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.921 0.888 . . . . 0.0 113.309 179.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 25.9 t -131.49 110.19 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 126.408 1.883 . . . . 0.0 107.748 171.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -102.23 100.84 11.07 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.553 1.141 . . . . 0.0 111.098 179.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -75.28 -11.88 60.16 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.176 0.99 . . . . 0.0 113.543 -177.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 37.2 mtt85 -68.21 -27.11 66.1 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.19 0.996 . . . . 0.0 112.544 172.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 93.7 p -126.45 -15.53 5.6 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.622 1.569 . . . . 0.0 114.715 -177.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.13 15.05 79.59 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 124.842 1.21 . . . . 0.0 114.093 -174.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 89.1 t -88.9 123.57 41.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 CA-C-N 119.099 1.449 . . . . 0.0 111.683 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 97.5 mt -96.78 131.71 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 126.345 1.858 . . . . 0.0 107.6 163.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 8.4 t -122.23 133.29 54.71 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.522 0.601 . . . . 0.0 111.195 177.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 25.1 mt -98.85 149.64 22.7 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.74 1.216 . . . . 0.0 111.816 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -132.31 160.45 42.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 126.094 1.758 . . . . 0.0 110.854 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -70.68 133.22 46.45 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 121.714 -0.616 . . . . 0.0 111.635 176.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.545 0.787 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 -173.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.65 0 CA-C-O 121.671 0.748 . . . . 0.0 112.734 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -126.5 133.31 51.19 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 126.613 1.965 . . . . 0.0 111.055 171.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 18.5 t -100.0 143.08 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 126.063 1.745 . . . . 0.0 110.762 -174.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -137.29 141.11 40.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 125.361 1.464 . . . . 0.0 111.379 168.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.542 0.663 0 C-N-CA 125.221 1.409 . . . . 0.0 112.724 -176.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.5 t . . . . . 0 N--CA 1.477 0.879 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -132.46 135.5 46.09 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.951 1.7 . . . . 0.0 110.697 177.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.5 mt -137.33 123.45 27.38 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 C-N-CA 125.054 1.342 . . . . 0.0 110.126 -173.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -95.84 169.1 26.7 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.484 1.04 . . . . 0.0 113.753 176.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 54.61 39.03 30.94 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.646 1.578 . . . . 0.0 113.861 177.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 84.8 t -75.81 114.2 15.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 125.088 1.355 . . . . 0.0 110.529 -177.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 27.4 tp -84.65 -27.84 26.85 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 126.013 1.725 . . . . 0.0 112.729 -176.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -159.67 148.61 17.81 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.79 1.236 . . . . 0.0 112.675 175.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.5 m -132.81 147.09 31.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 125.222 1.409 . . . . 0.0 111.417 170.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -143.3 131.92 22.46 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.137 1.375 . . . . 0.0 111.934 175.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.817 0 C-N-CA 124.006 0.922 . . . . 0.0 110.364 159.891 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.669 0 CA-C-O 120.403 0.145 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 82.3 t -117.93 142.63 31.49 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 C-N-CA 123.982 0.913 . . . . 0.0 111.026 167.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -122.31 140.97 52.03 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 126.388 1.875 . . . . 0.0 110.025 174.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.5 m -137.48 140.2 42.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.16 0.984 . . . . 0.0 111.118 -177.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.3 m -129.62 131.93 46.61 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.501 1.121 . . . . 0.0 110.493 -174.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.4 p -97.1 161.0 14.02 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.464 1.106 . . . . 0.0 111.426 174.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.96 -3.86 14.48 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.928 1.455 . . . . 0.0 114.928 176.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -80.83 6.06 14.18 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.071 1.349 . . . . 0.0 113.588 171.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 62.72 10.44 4.2 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 127.0 2.12 . . . . 0.0 114.484 -169.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -80.9 133.3 35.53 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.438 1.095 . . . . 0.0 110.226 170.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -131.89 145.61 51.63 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.561 1.544 . . . . 0.0 110.877 -177.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -133.14 155.32 49.49 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.677 1.591 . . . . 0.0 111.395 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -138.54 137.42 37.03 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.719 1.208 . . . . 0.0 110.935 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -137.54 98.11 10.08 Favored Pre-proline 0 CA--C 1.545 0.787 0 C-N-CA 125.033 1.333 . . . . 0.0 110.926 -172.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -63.17 150.03 89.74 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 123.424 2.749 . . . . 0.0 114.142 175.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.5 8.0 81.34 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 125.121 1.343 . . . . 0.0 114.64 175.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.9 mt -117.89 162.03 18.79 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.181 1.392 . . . . 0.0 112.555 -176.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.1 159.19 42.72 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 127.724 2.409 . . . . 0.0 109.541 167.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 20.1 mt -71.86 123.88 27.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 O-C-N 121.05 -1.031 . . . . 0.0 108.961 177.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -103.64 -39.85 2.47 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 124.83 1.205 . . . . 0.0 114.453 -174.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -151.8 144.7 24.44 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 118.385 1.093 . . . . 0.0 111.792 -174.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.1 t -135.97 123.3 34.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 125.734 1.613 . . . . 0.0 109.345 175.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -131.35 100.64 5.24 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.349 1.06 . . . . 0.0 111.089 -174.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -75.42 -10.97 59.93 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.251 1.42 . . . . 0.0 113.146 -171.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -64.9 -25.83 68.06 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.858 1.263 . . . . 0.0 112.17 173.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.5 m -133.12 1.39 3.52 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.082 1.753 . . . . 0.0 113.465 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.08 23.94 76.0 Favored Glycine 0 CA--C 1.536 1.403 0 C-N-CA 125.077 1.322 . . . . 0.0 114.983 -177.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.7 t -86.36 135.0 26.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 CA-C-N 118.872 1.336 . . . . 0.0 111.823 -174.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 86.3 mt -117.0 130.99 71.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 127.113 2.165 . . . . 0.0 108.278 167.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.9 t -128.86 128.92 44.82 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.316 1.046 . . . . 0.0 111.166 -176.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.8 mp -96.41 151.25 19.73 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.695 1.198 . . . . 0.0 110.767 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -131.5 158.96 43.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 126.349 1.86 . . . . 0.0 110.642 177.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -67.59 133.4 49.35 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.447 -0.783 . . . . 0.0 111.588 177.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? . . . . . 0 N--CA 1.477 0.921 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 -169.502 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 4.5 mpp? . . . . . 0 N--CA 1.471 0.611 0 CA-C-O 121.552 0.691 . . . . 0.0 112.118 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.18 171.87 13.79 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.784 1.234 . . . . 0.0 112.859 178.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -122.82 141.62 51.65 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.466 1.106 . . . . 0.0 111.372 160.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 24.1 t -98.55 141.99 15.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 125.547 1.539 . . . . 0.0 110.218 177.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.5 p -127.48 139.29 52.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 124.968 1.307 . . . . 0.0 111.285 168.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 pp -149.96 160.36 43.67 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.993 1.317 . . . . 0.0 112.887 -175.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 13.5 m -110.18 130.87 55.47 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.797 1.239 . . . . 0.0 109.724 172.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -77.1 163.48 26.58 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.271 1.428 . . . . 0.0 112.468 176.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.36 -25.12 65.62 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 171.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -76.03 -5.17 45.17 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.553 1.541 . . . . 0.0 114.168 172.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.83 -6.94 72.09 Favored Glycine 0 CA--C 1.539 1.563 0 C-N-CA 125.434 1.492 . . . . 0.0 115.691 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.55 162.78 53.42 Favored Glycine 0 CA--C 1.538 1.5 0 CA-C-N 118.499 1.149 . . . . 0.0 112.165 170.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -118.38 152.81 35.13 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.191 0.996 . . . . 0.0 113.32 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 99.8 t -135.99 141.94 40.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 125.755 1.622 . . . . 0.0 109.62 -174.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -123.29 142.51 50.87 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.807 1.243 . . . . 0.0 111.58 171.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 63.3 mt -134.01 107.63 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 125.325 1.45 . . . . 0.0 108.778 -174.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.0 178.05 53.68 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 123.98 0.8 . . . . 0.0 113.758 177.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 58.96 32.56 22.38 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 169.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 72.3 t -78.9 124.71 37.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 125.809 1.644 . . . . 0.0 112.354 -175.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 78.3 mt -84.4 -37.92 20.89 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.607 1.163 . . . . 0.0 112.274 170.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -156.11 148.99 24.1 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 118.929 0.786 . . . . 0.0 113.039 -171.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 38.9 t -135.33 135.93 51.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 126.508 1.923 . . . . 0.0 109.906 175.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -136.66 125.3 23.77 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.815 1.246 . . . . 0.0 111.165 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.567 0 C-N-CA 124.631 1.172 . . . . 0.0 110.26 166.684 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.38 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 50.2 t -115.75 137.75 48.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 123.407 0.683 . . . . 0.0 110.74 164.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -116.99 150.82 37.95 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 126.034 1.734 . . . . 0.0 111.223 174.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.73 142.57 40.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 125.951 1.7 . . . . 0.0 110.907 -176.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 86.8 m -123.98 133.21 53.74 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.788 1.235 . . . . 0.0 110.302 173.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 40.2 p -104.26 164.6 11.61 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.934 1.293 . . . . 0.0 112.737 178.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 pp -64.27 -15.97 61.17 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 177.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -76.66 1.61 16.5 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.352 1.461 . . . . 0.0 113.642 172.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 24.6 t0 60.66 19.04 9.04 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 127.007 2.123 . . . . 0.0 113.84 -169.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -84.86 143.87 28.77 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 124.602 1.161 . . . . 0.0 110.513 170.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -122.32 148.36 45.13 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.802 1.241 . . . . 0.0 112.042 -178.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -134.08 154.37 51.22 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.146 1.378 . . . . 0.0 111.432 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -140.95 138.22 33.64 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.003 1.321 . . . . 0.0 112.188 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -139.05 92.27 10.96 Favored Pre-proline 0 CA--C 1.544 0.746 0 C-N-CA 125.51 1.524 . . . . 0.0 110.785 -173.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -69.66 149.7 67.84 Favored 'Trans proline' 0 CA--C 1.536 0.613 0 C-N-CA 123.08 2.52 . . . . 0.0 112.646 178.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.53 5.07 85.1 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 125.59 1.567 . . . . 0.0 114.684 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 76.8 mt -109.73 162.46 14.43 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.943 1.297 . . . . 0.0 113.605 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.5 159.08 42.94 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 127.774 2.43 . . . . 0.0 109.38 166.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 37.6 mt -73.91 121.97 26.07 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.848 0 O-C-N 121.246 -0.909 . . . . 0.0 108.952 178.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.91 -46.59 3.1 Favored Glycine 0 CA--C 1.53 1.031 0 C-N-CA 124.723 1.154 . . . . 0.0 114.405 -175.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 7.1 ptt-85 -157.64 164.27 37.39 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.405 1.082 . . . . 0.0 113.057 177.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 5.0 t -135.12 122.65 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 123.959 0.903 . . . . 0.0 110.033 169.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -100.84 88.08 3.48 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.164 1.385 . . . . 0.0 110.132 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -68.2 -10.3 53.39 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 120.911 -1.118 . . . . 0.0 112.887 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 48.3 mtm105 -59.47 -24.96 64.01 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 126.066 1.746 . . . . 0.0 113.637 164.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.1 t -136.63 -16.54 1.53 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.268 1.427 . . . . 0.0 114.072 -173.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.49 22.36 58.61 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 124.953 1.264 . . . . 0.0 113.995 -175.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 65.1 t -93.95 122.16 45.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 124.191 0.996 . . . . 0.0 111.374 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 86.1 mt -96.68 127.43 48.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 C-N-CA 125.74 1.616 . . . . 0.0 108.18 166.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 30.1 t -116.38 125.35 51.94 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.992 0.917 . . . . 0.0 111.486 -177.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.9 mp -101.28 145.97 28.16 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.33 1.452 . . . . 0.0 110.73 177.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -134.79 160.99 41.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 126.643 1.977 . . . . 0.0 110.493 -178.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 28.5 mp0 -65.6 131.44 46.38 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.247 -0.908 . . . . 0.0 111.995 178.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? . . . . . 0 N--CA 1.482 1.165 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -176.145 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 0.991 0 CA-C-O 121.398 0.618 . . . . 0.0 112.368 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -128.96 154.74 46.28 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.568 1.147 . . . . 0.0 111.548 161.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.2 t -100.74 146.45 9.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.316 1.046 . . . . 0.0 110.384 171.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.5 p -134.19 141.73 42.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 125.139 1.376 . . . . 0.0 111.456 170.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 CA--C 1.537 0.477 0 C-N-CA 124.954 1.302 . . . . 0.0 112.177 179.47 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.0 t . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -128.09 147.67 50.54 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.25 1.42 . . . . 0.0 111.636 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.0 mt -131.56 101.95 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 125.261 1.424 . . . . 0.0 108.855 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.26 157.14 46.11 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 124.36 0.981 . . . . 0.0 113.711 -178.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 52.92 46.32 27.01 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 126.327 1.851 . . . . 0.0 114.128 173.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.0 p -73.81 135.34 27.74 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 124.995 1.318 . . . . 0.0 112.385 -177.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.4 mt -90.76 -39.62 12.29 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.747 1.219 . . . . 0.0 112.539 175.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 73.8 tt0 -154.23 146.38 23.73 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.759 -0.588 . . . . 0.0 112.061 -173.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.4 t -135.92 138.33 47.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 125.656 1.583 . . . . 0.0 110.297 175.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -134.54 137.05 43.49 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.297 1.439 . . . . 0.0 111.434 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.57 0 C-N-CA 125.656 1.582 . . . . 0.0 110.668 176.753 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.569 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.8 t -106.85 137.6 36.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 123.469 0.708 . . . . 0.0 111.77 179.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -116.64 149.85 39.07 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.644 1.977 . . . . 0.0 110.211 175.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.7 t -139.48 142.05 33.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 125.222 1.409 . . . . 0.0 110.493 -174.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.4 m -129.87 135.59 48.55 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.098 1.359 . . . . 0.0 111.045 177.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.8 p -124.52 166.65 15.68 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.734 1.214 . . . . 0.0 113.269 -174.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -62.92 -14.08 42.39 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 115.606 1.706 . . . . 0.0 115.606 -177.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -79.61 5.67 12.54 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.964 1.306 . . . . 0.0 113.492 174.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.6 t0 60.02 26.28 15.59 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.982 2.113 . . . . 0.0 112.908 -168.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -93.87 153.32 18.32 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.185 1.394 . . . . 0.0 112.179 173.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -131.87 144.98 51.27 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 125.214 1.406 . . . . 0.0 111.581 177.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -137.1 152.15 49.69 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.923 1.689 . . . . 0.0 111.084 -173.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -145.85 141.28 27.73 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.855 0.862 . . . . 0.0 112.603 -178.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -141.11 94.12 7.91 Favored Pre-proline 0 CA--C 1.545 0.772 0 C-N-CA 126.109 1.764 . . . . 0.0 111.11 -170.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -63.07 151.71 83.34 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 123.48 2.787 . . . . 0.0 113.456 172.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.75 9.08 83.52 Favored Glycine 0 CA--C 1.53 1.029 0 C-N-CA 125.352 1.453 . . . . 0.0 115.051 177.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 72.5 mt -118.76 161.87 19.39 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.308 1.443 . . . . 0.0 113.561 -177.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -144.54 159.22 43.13 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 127.123 2.169 . . . . 0.0 109.753 166.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.0 mt -71.43 117.01 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 O-C-N 121.035 -1.04 . . . . 0.0 108.756 177.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.94 -35.88 8.78 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 125.308 1.432 . . . . 0.0 113.94 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -159.57 160.53 34.54 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 118.086 0.943 . . . . 0.0 112.191 170.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.1 t -128.72 124.08 60.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 124.067 0.947 . . . . 0.0 108.988 163.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -116.84 107.73 14.98 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.482 1.513 . . . . 0.0 110.333 -176.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -82.34 -12.28 58.07 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.778 1.231 . . . . 0.0 112.892 -174.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.4 mtm180 -72.29 -40.92 67.19 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.579 1.152 . . . . 0.0 110.836 175.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 80.4 p -96.23 -22.98 16.92 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.839 1.656 . . . . 0.0 113.811 176.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.9 41.75 14.03 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 124.594 1.092 . . . . 0.0 113.012 -176.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 76.7 t -125.76 130.16 72.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 124.629 1.172 . . . . 0.0 112.263 -173.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.8 mt -97.21 128.14 48.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 126.646 1.978 . . . . 0.0 107.884 166.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.0 t -119.46 128.54 54.1 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.831 0.852 . . . . 0.0 111.111 -177.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.4 mt -100.65 147.5 25.91 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.375 1.07 . . . . 0.0 111.96 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -133.28 161.02 42.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 126.639 1.976 . . . . 0.0 110.681 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -67.75 128.02 34.95 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 121.452 -0.78 . . . . 0.0 111.319 177.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? . . . . . 0 N--CA 1.472 0.648 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 -171.31 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 4.1 mpp? . . . . . 0 CA--C 1.544 0.723 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.39 161.21 28.05 Favored 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 -159.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.79 127.82 53.89 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 125.125 1.37 . . . . 0.0 110.272 165.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 79.2 t -101.16 139.57 22.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 125.562 1.545 . . . . 0.0 109.614 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 14.6 p -130.03 145.11 36.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 125.449 1.499 . . . . 0.0 112.763 174.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp -147.8 158.24 43.93 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.603 1.561 . . . . 0.0 112.267 178.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 32.7 m -114.91 131.3 56.92 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.842 1.257 . . . . 0.0 110.859 175.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -82.67 161.66 22.09 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.415 1.886 . . . . 0.0 112.813 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.27 -23.05 66.94 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 174.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 44.6 p30 -79.43 -1.12 35.83 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.398 1.079 . . . . 0.0 113.906 174.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.45 -6.07 84.0 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 125.793 1.663 . . . . 0.0 115.568 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.7 170.81 54.95 Favored Glycine 0 CA--C 1.537 1.42 0 CA-C-N 118.941 1.371 . . . . 0.0 113.18 171.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 70.4 mtm180 -125.84 155.2 41.53 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.677 1.191 . . . . 0.0 112.645 177.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 68.0 t -134.08 141.4 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 126.001 1.72 . . . . 0.0 109.593 -178.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -131.98 146.02 51.83 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.09 1.356 . . . . 0.0 111.799 178.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -130.95 121.14 49.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 125.46 1.504 . . . . 0.0 108.814 174.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.68 166.72 22.85 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 125.144 1.354 . . . . 0.0 114.352 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 52.36 39.39 27.32 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 125.867 1.667 . . . . 0.0 113.336 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -69.7 117.43 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 C-N-CA 125.296 1.438 . . . . 0.0 110.701 -178.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 77.3 mt -78.19 -34.9 49.24 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.388 1.075 . . . . 0.0 111.743 171.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -155.14 143.02 19.97 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.155 0.982 . . . . 0.0 112.189 178.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 7.3 p -125.27 139.77 50.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 125.931 1.692 . . . . 0.0 109.307 167.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 78.4 mtm-85 -136.3 141.85 43.86 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.787 1.635 . . . . 0.0 110.383 -169.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 C-N-CA 125.282 1.433 . . . . 0.0 110.748 -177.85 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.667 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 68.5 t -115.94 146.79 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 124.424 1.09 . . . . 0.0 112.206 177.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -130.13 152.99 48.97 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.155 1.782 . . . . 0.0 111.391 171.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 16.7 m -130.32 152.89 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 125.74 1.616 . . . . 0.0 111.559 176.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 85.4 m -132.06 126.31 33.51 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.255 1.422 . . . . 0.0 110.121 173.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 17.6 p -94.54 170.25 9.61 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.213 1.005 . . . . 0.0 113.538 -176.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 59.2 tp -50.09 -30.17 10.47 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 127.191 2.197 . . . . 0.0 114.082 169.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -92.41 10.82 28.38 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.444 1.498 . . . . 0.0 113.281 -178.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 59.3 18.53 6.76 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.562 1.945 . . . . 0.0 114.393 -171.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -76.73 143.57 39.86 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 120.9 -1.125 . . . . 0.0 110.528 172.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -121.73 145.34 48.13 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 124.631 1.173 . . . . 0.0 112.604 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -138.28 154.37 49.04 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.608 1.563 . . . . 0.0 110.639 171.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.38 144.15 34.36 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.822 1.249 . . . . 0.0 112.732 -177.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -141.42 96.55 6.98 Favored Pre-proline 0 CA--C 1.544 0.716 0 C-N-CA 125.597 1.559 . . . . 0.0 111.329 -168.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -64.52 148.78 90.64 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 123.434 2.756 . . . . 0.0 113.317 176.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.28 5.4 89.65 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 125.198 1.38 . . . . 0.0 114.855 177.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 42.5 mt -109.48 163.54 13.33 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.933 1.293 . . . . 0.0 113.581 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.58 157.51 44.37 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 127.715 2.406 . . . . 0.0 109.716 166.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 38.3 mt -69.28 123.19 22.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 O-C-N 121.184 -0.948 . . . . 0.0 109.059 176.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -105.9 -44.11 1.45 Allowed Glycine 0 C--N 1.34 0.757 0 N-CA-C 115.602 1.001 . . . . 0.0 115.602 -168.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -150.51 143.83 24.96 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.511 1.156 . . . . 0.0 111.677 -177.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 47.6 t -137.67 130.27 41.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 125.416 1.486 . . . . 0.0 109.067 -176.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -131.0 110.57 11.33 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 122.151 0.977 . . . . 0.0 111.626 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -81.25 -13.8 58.13 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.327 1.451 . . . . 0.0 112.565 -172.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 35.4 mtm180 -72.74 -23.8 60.88 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.991 1.316 . . . . 0.0 112.403 174.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 41.8 m -123.5 -14.11 7.42 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.536 1.534 . . . . 0.0 114.221 -177.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.58 29.38 63.75 Favored Glycine 0 CA--C 1.539 1.545 0 CA-C-N 119.372 0.987 . . . . 0.0 113.667 -176.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 86.0 t -104.99 138.87 27.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 125.403 1.481 . . . . 0.0 111.123 -176.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 71.8 mt -123.63 138.09 54.62 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 C-N-CA 126.397 1.879 . . . . 0.0 108.968 172.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 32.4 t -127.12 132.91 50.49 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.72 1.208 . . . . 0.0 111.606 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 27.0 mt -93.62 153.1 18.58 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.959 1.303 . . . . 0.0 112.144 176.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -131.02 158.97 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 125.981 1.712 . . . . 0.0 110.672 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -68.67 131.79 45.78 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 121.764 -0.585 . . . . 0.0 111.117 173.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? . . . . . 0 N--CA 1.479 0.979 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 -172.522 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.625 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 56.2 pttt -127.18 150.05 49.69 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.994 0.918 . . . . 0.0 111.24 162.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.7 t -104.02 139.0 26.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 125.462 1.505 . . . . 0.0 110.335 173.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.3 p -131.71 146.49 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 125.471 1.509 . . . . 0.0 111.383 172.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 pp . . . . . 0 N--CA 1.467 0.422 0 C-N-CA 125.057 1.343 . . . . 0.0 112.292 177.923 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 41.4 t . . . . . 0 N--CA 1.476 0.842 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -130.13 146.66 51.79 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.915 1.286 . . . . 0.0 112.144 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -131.21 109.5 16.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 126.283 1.833 . . . . 0.0 108.158 178.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.81 158.56 28.42 Favored Glycine 0 CA--C 1.533 1.205 0 C-N-CA 124.045 0.831 . . . . 0.0 114.595 -175.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 52.68 51.41 16.08 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 126.292 1.837 . . . . 0.0 113.641 172.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.5 t -73.92 126.67 35.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 127.942 2.497 . . . . 0.0 111.926 -178.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.8 mt -88.42 -28.85 20.63 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.342 1.057 . . . . 0.0 113.213 167.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -155.33 140.94 17.93 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.069 0.948 . . . . 0.0 111.986 -173.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.8 p -141.5 148.23 21.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 125.036 1.335 . . . . 0.0 110.302 169.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.6 ptt85 -155.37 141.12 18.05 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.94 0.896 . . . . 0.0 113.313 177.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.483 0 C-N-CA 125.875 1.67 . . . . 0.0 108.899 166.866 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.349 0 CA-C-O 119.608 -0.234 . . . . 0.0 111.459 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.2 t -92.82 138.92 18.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-N 118.149 0.431 . . . . 0.0 110.581 164.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 72.0 mtt85 -125.25 144.77 50.3 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.456 1.503 . . . . 0.0 110.237 171.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.3 p -145.03 143.96 22.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.432 1.093 . . . . 0.0 111.588 -172.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.2 m -128.81 131.53 47.76 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.694 1.597 . . . . 0.0 110.91 -175.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 41.3 p -96.38 169.06 10.18 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 125.038 1.335 . . . . 0.0 112.729 178.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -61.47 -14.92 32.67 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 114.886 1.439 . . . . 0.0 114.886 173.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -79.54 -2.98 44.77 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.671 1.188 . . . . 0.0 113.297 174.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 61.23 13.89 5.18 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.036 1.734 . . . . 0.0 113.951 -162.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -78.55 146.08 34.46 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.448 1.099 . . . . 0.0 110.66 169.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -131.16 152.85 50.03 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 125.189 1.396 . . . . 0.0 113.281 -172.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 -138.59 155.05 48.68 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.477 1.511 . . . . 0.0 111.519 178.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -139.28 141.89 37.75 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 125.137 1.375 . . . . 0.0 111.899 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -140.14 91.68 9.94 Favored Pre-proline 0 CA--C 1.546 0.813 0 C-N-CA 125.806 1.642 . . . . 0.0 110.961 -172.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -67.69 148.97 78.74 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 123.522 2.815 . . . . 0.0 112.918 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.13 -0.1 89.94 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 125.113 1.34 . . . . 0.0 114.981 -177.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 49.0 mt -103.92 163.39 12.39 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.813 1.307 . . . . 0.0 113.389 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.18 162.55 35.0 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 127.713 2.405 . . . . 0.0 110.099 163.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 40.4 mt -71.0 121.3 20.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 O-C-N 121.148 -0.97 . . . . 0.0 109.079 175.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.58 -46.82 2.44 Favored Glycine 0 N--CA 1.467 0.732 0 C-N-CA 124.93 1.252 . . . . 0.0 114.033 -172.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -149.1 155.9 41.41 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.971 1.308 . . . . 0.0 111.424 -178.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.5 t -139.53 126.98 25.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 124.061 0.944 . . . . 0.0 110.193 166.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -105.77 92.88 4.36 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.899 1.68 . . . . 0.0 110.218 175.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -68.21 -18.37 64.56 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.225 -0.922 . . . . 0.0 112.761 -178.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 43.3 mtt85 -60.26 -27.27 67.11 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.102 1.361 . . . . 0.0 112.769 170.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 31.1 m -128.5 -9.42 5.13 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.267 1.427 . . . . 0.0 114.62 -173.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.83 21.13 79.03 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.477 1.037 . . . . 0.0 114.61 -177.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 53.8 t -100.46 119.93 49.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 CA-C-N 119.118 1.459 . . . . 0.0 111.266 -176.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 12.7 mt -97.8 135.42 32.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 126.651 1.98 . . . . 0.0 108.146 168.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.1 t -126.61 130.46 50.53 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.691 1.196 . . . . 0.0 111.512 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.8 mt -96.24 154.27 17.35 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.675 1.19 . . . . 0.0 112.564 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -133.25 156.86 42.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 126.272 1.829 . . . . 0.0 110.654 176.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -75.08 133.32 41.59 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.083 -1.01 . . . . 0.0 112.016 175.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.839 0 C-N-CA 124.447 1.099 . . . . 0.0 113.924 -175.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 4.9 mpp? . . . . . 0 N--CA 1.47 0.558 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.43 176.58 9.58 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.981 1.312 . . . . 0.0 112.362 171.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -125.17 146.05 49.68 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 126.046 1.738 . . . . 0.0 111.242 163.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 54.5 t -105.13 143.67 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 125.117 1.367 . . . . 0.0 110.459 177.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 10.4 p -136.88 141.88 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.598 1.559 . . . . 0.0 111.694 171.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -153.18 160.02 42.77 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.505 1.522 . . . . 0.0 112.879 -177.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 15.2 m -114.15 128.42 56.37 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.272 1.429 . . . . 0.0 109.71 170.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -77.21 163.53 26.45 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.005 1.722 . . . . 0.0 112.209 178.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.0 -26.41 67.58 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.089 0.956 . . . . 0.0 113.533 175.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -78.11 -1.91 34.81 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 125.021 1.328 . . . . 0.0 113.848 173.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.69 -4.86 80.91 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 125.939 1.733 . . . . 0.0 115.775 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.51 154.17 43.64 Favored Glycine 0 CA--C 1.534 1.222 0 CA-C-N 118.869 1.335 . . . . 0.0 112.535 172.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -110.56 150.23 29.24 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.128 0.971 . . . . 0.0 113.195 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 97.6 t -131.44 140.44 48.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 126.152 1.781 . . . . 0.0 109.792 -178.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -130.62 143.12 50.54 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.289 1.436 . . . . 0.0 111.383 175.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 37.4 mt -131.76 124.23 53.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 125.019 1.328 . . . . 0.0 108.974 -178.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -95.41 166.39 25.46 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 124.376 0.989 . . . . 0.0 114.302 176.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 53.16 44.75 29.87 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 126.012 1.725 . . . . 0.0 113.627 176.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 81.7 t -76.03 119.83 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 124.91 1.284 . . . . 0.0 111.633 -176.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 98.6 mt -80.93 -31.57 34.98 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.958 1.303 . . . . 0.0 113.054 173.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -159.55 146.21 16.49 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 118.706 0.684 . . . . 0.0 111.927 -170.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 19.7 m -134.63 153.54 35.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 124.622 1.169 . . . . 0.0 111.842 166.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -144.63 131.22 19.94 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.726 1.21 . . . . 0.0 111.531 174.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.729 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 156.252 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.466 0 N-CA-C 111.536 0.198 . . . . 0.0 111.536 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 73.2 t -99.42 123.81 52.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 O-C-N 121.81 -0.556 . . . . 0.0 111.639 158.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -89.15 148.29 23.74 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.51 1.524 . . . . 0.0 111.329 165.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 10.5 t -135.74 143.61 35.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 125.871 1.669 . . . . 0.0 109.668 171.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 23.5 m -125.87 132.1 52.25 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.147 1.379 . . . . 0.0 110.087 174.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 30.4 p -101.66 165.99 10.93 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.328 1.051 . . . . 0.0 113.446 -178.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 69.1 tp -49.51 -28.81 5.85 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 127.165 2.186 . . . . 0.0 113.945 174.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -86.63 9.1 19.68 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 126.04 1.736 . . . . 0.0 113.752 -178.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 62.02 13.48 5.7 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 127.003 2.121 . . . . 0.0 114.878 -173.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -79.03 161.29 26.7 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.203 1.001 . . . . 0.0 111.808 168.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -133.83 153.93 51.38 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.761 1.224 . . . . 0.0 113.166 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -130.2 154.17 47.82 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 126.115 1.766 . . . . 0.0 110.219 172.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.06 136.25 31.84 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.277 1.031 . . . . 0.0 111.307 175.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -132.2 90.71 33.89 Favored Pre-proline 0 CA--C 1.54 0.593 0 C-N-CA 125.351 1.46 . . . . 0.0 110.726 -173.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -63.3 144.08 90.6 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 122.882 2.388 . . . . 0.0 113.166 -178.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.04 -1.17 88.98 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 125.65 1.595 . . . . 0.0 115.151 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 50.7 mt -97.68 164.25 12.49 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 119.307 1.554 . . . . 0.0 113.844 176.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.89 164.87 29.08 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 127.649 2.38 . . . . 0.0 110.449 160.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 22.6 mt -72.93 120.43 21.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 O-C-N 121.387 -0.821 . . . . 0.0 109.434 177.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -95.2 -38.21 4.89 Favored Glycine 0 CA--C 1.533 1.205 0 C-N-CA 124.153 0.882 . . . . 0.0 114.091 -175.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 59.5 ttt85 -153.21 145.01 23.52 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.645 1.578 . . . . 0.0 110.867 -175.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.0 t -127.79 126.09 66.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 123.52 0.728 . . . . 0.0 109.412 160.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -117.84 89.41 3.11 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 125.173 1.389 . . . . 0.0 110.341 -176.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -69.07 -11.24 60.61 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.721 1.608 . . . . 0.0 113.288 -170.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 58.4 mtt85 -63.5 -25.39 68.24 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.562 1.145 . . . . 0.0 112.615 169.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 29.4 t -129.75 -21.37 3.08 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.87 1.668 . . . . 0.0 113.398 -177.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.35 23.91 49.35 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 125.111 1.338 . . . . 0.0 113.852 -177.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 59.3 t -91.54 127.91 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 CA-C-N 118.266 1.033 . . . . 0.0 111.313 179.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 57.6 mt -101.97 122.93 54.81 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 C-N-CA 126.644 1.977 . . . . 0.0 108.108 167.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 24.3 m -112.22 128.68 56.32 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.063 0.945 . . . . 0.0 111.234 176.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 22.0 mt -97.44 153.29 18.21 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.795 0.838 . . . . 0.0 112.605 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -135.12 159.16 41.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 126.759 2.024 . . . . 0.0 110.464 178.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -73.26 132.19 42.84 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 120.957 -1.09 . . . . 0.0 111.767 174.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? . . . . . 0 N--CA 1.474 0.74 0 C-N-CA 123.837 0.855 . . . . 0.0 112.044 170.671 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.859 0 CA-C-O 121.474 0.654 . . . . 0.0 112.124 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.0 ptpt -123.41 144.69 49.33 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.065 1.746 . . . . 0.0 111.331 166.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 65.8 t -100.65 143.53 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 125.497 1.519 . . . . 0.0 110.622 178.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.4 p -128.62 143.38 41.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.534 1.533 . . . . 0.0 111.258 165.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 pp . . . . . 0 N--CA 1.47 0.55 0 C-N-CA 125.671 1.588 . . . . 0.0 111.713 177.041 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 87.2 t . . . . . 0 N--CA 1.476 0.852 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -132.87 151.4 52.04 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.585 1.154 . . . . 0.0 112.895 -178.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -132.38 115.86 26.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 125.575 1.55 . . . . 0.0 109.081 176.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.18 156.03 30.48 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 124.163 0.887 . . . . 0.0 114.154 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 53.92 48.41 21.3 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.575 1.55 . . . . 0.0 114.026 171.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.6 m -76.6 128.52 37.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 O-C-N 120.954 -1.091 . . . . 0.0 111.988 178.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 93.4 mt -78.03 -31.48 50.47 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.956 0.903 . . . . 0.0 111.17 171.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -157.54 146.84 19.96 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.732 1.213 . . . . 0.0 112.354 -174.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.4 t -140.33 134.3 34.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.7 1.6 . . . . 0.0 109.139 171.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.16 140.9 37.99 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 124.313 1.045 . . . . 0.0 112.563 179.291 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.658 0 C-N-CA 124.446 1.098 . . . . 0.0 110.232 163.535 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.691 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.9 t -98.84 144.99 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 123.712 0.805 . . . . 0.0 110.655 160.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 64.3 mtp180 -127.76 147.81 50.42 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.114 1.766 . . . . 0.0 111.374 170.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -146.69 146.11 19.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.743 1.217 . . . . 0.0 111.694 -172.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.6 m -123.76 130.98 53.47 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.065 1.346 . . . . 0.0 111.138 178.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 40.9 p -94.9 164.16 13.03 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.622 1.169 . . . . 0.0 114.13 -178.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.2 tp -49.83 -32.94 15.32 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.646 1.978 . . . . 0.0 113.092 168.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -82.37 8.06 12.42 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.35 1.86 . . . . 0.0 113.327 -179.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.9 t0 59.93 30.66 20.17 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 127.305 2.242 . . . . 0.0 114.13 -177.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -99.48 140.19 34.04 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.798 1.239 . . . . 0.0 111.223 173.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -97.21 143.38 28.06 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.665 0.745 . . . . 0.0 112.295 170.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -123.91 150.1 45.09 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 126.069 1.747 . . . . 0.0 110.589 170.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.05 138.08 31.52 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 124.675 1.19 . . . . 0.0 111.219 -178.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -139.94 91.22 10.41 Favored Pre-proline 0 CA--C 1.545 0.762 0 C-N-CA 125.033 1.333 . . . . 0.0 111.358 -170.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -61.01 146.3 97.94 Favored 'Trans proline' 0 CA--C 1.536 0.602 0 C-N-CA 123.413 2.742 . . . . 0.0 113.402 176.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.88 4.02 89.42 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 125.033 1.302 . . . . 0.0 115.276 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 45.9 mt -104.71 162.97 12.83 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 119.076 1.438 . . . . 0.0 113.536 176.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.35 160.81 39.35 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 127.595 2.358 . . . . 0.0 109.453 164.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 72.7 mt -73.01 122.55 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 O-C-N 120.829 -1.17 . . . . 0.0 109.552 177.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.06 -47.19 2.28 Favored Glycine 0 CA--C 1.527 0.842 0 C-N-CA 124.711 1.148 . . . . 0.0 114.065 -175.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -146.97 154.3 41.08 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 118.546 1.173 . . . . 0.0 112.711 -178.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.8 t -133.77 116.24 23.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 126.151 1.781 . . . . 0.0 109.37 169.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -103.3 90.33 3.68 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.219 1.408 . . . . 0.0 109.831 -179.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -66.77 -23.91 66.13 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.097 -1.002 . . . . 0.0 112.278 -178.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -65.73 -19.54 65.94 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.135 1.374 . . . . 0.0 113.915 170.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.0 m -124.19 -17.87 6.03 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.955 1.302 . . . . 0.0 114.406 -175.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.81 34.14 62.64 Favored Glycine 0 CA--C 1.533 1.2 0 CA-C-N 119.109 0.868 . . . . 0.0 113.457 -171.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.3 t -120.64 130.81 74.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.41 1.084 . . . . 0.0 111.537 -174.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 88.9 mt -106.72 136.12 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 126.64 1.976 . . . . 0.0 108.564 169.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.8 t -124.29 127.93 48.38 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.871 0.868 . . . . 0.0 111.26 177.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 27.2 mt -95.88 150.91 19.91 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.299 1.04 . . . . 0.0 111.699 176.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -132.03 161.34 41.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 126.268 1.827 . . . . 0.0 110.641 179.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -71.39 135.32 47.21 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 120.922 -1.111 . . . . 0.0 111.596 176.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.478 0.974 0 N-CA-C 114.387 1.255 . . . . 0.0 114.387 -176.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 5.2 mpp? . . . . . 0 CA--C 1.54 0.561 0 CA-C-O 121.314 0.578 . . . . 0.0 111.988 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -83.28 -179.19 7.32 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.856 1.262 . . . . 0.0 112.314 174.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -118.31 151.61 37.37 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.231 1.012 . . . . 0.0 111.937 158.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 76.4 t -103.02 144.83 13.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 124.722 1.209 . . . . 0.0 110.456 172.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 10.5 p -131.2 139.08 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 126.14 1.776 . . . . 0.0 110.769 169.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 pp -146.18 164.23 32.89 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.526 1.53 . . . . 0.0 111.442 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 20.6 m -121.96 129.16 52.27 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.135 0.974 . . . . 0.0 110.077 172.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -73.89 165.6 24.84 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.169 1.388 . . . . 0.0 112.062 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.07 -24.21 66.05 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 170.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -74.51 -6.4 48.18 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.717 1.607 . . . . 0.0 113.935 172.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.51 -5.16 84.34 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 125.996 1.76 . . . . 0.0 115.529 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.74 140.84 19.84 Favored Glycine 0 CA--C 1.535 1.308 0 CA-C-N 118.672 1.236 . . . . 0.0 112.883 175.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 30.9 mtm105 -81.29 157.24 25.19 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 118.039 0.92 . . . . 0.0 113.3 175.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 87.5 t -136.22 141.81 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 126.526 1.931 . . . . 0.0 109.14 171.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -127.61 143.92 51.12 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.635 1.174 . . . . 0.0 111.719 174.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 38.7 mt -130.77 107.68 14.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 125.612 1.565 . . . . 0.0 108.442 -174.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.69 154.88 40.46 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 123.982 0.801 . . . . 0.0 114.135 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 53.06 53.73 11.51 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.271 1.828 . . . . 0.0 114.621 168.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 18.5 m -79.89 134.1 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 124.439 1.096 . . . . 0.0 112.797 177.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 95.8 mt -81.87 -33.97 30.3 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.166 1.387 . . . . 0.0 112.268 172.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -159.68 144.45 15.19 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.23 0.612 . . . . 0.0 111.799 -171.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 38.6 t -137.31 139.75 43.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 124.962 1.305 . . . . 0.0 110.235 178.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 89.3 mtt180 -142.82 133.24 24.87 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.765 0.826 . . . . 0.0 112.06 -177.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.751 0 C-N-CA 124.679 1.192 . . . . 0.0 109.561 162.072 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.576 0 CA-C-O 120.682 0.277 . . . . 0.0 111.605 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 77.9 t -102.99 131.32 51.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 O-C-N 122.26 -0.275 . . . . 0.0 111.122 160.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -100.84 147.64 25.86 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.842 1.657 . . . . 0.0 110.727 168.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 31.7 t -137.63 139.51 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 125.203 1.401 . . . . 0.0 110.153 174.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 57.8 m -115.18 130.4 56.91 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.334 1.054 . . . . 0.0 110.035 169.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 57.3 p -98.84 168.56 10.05 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.276 1.03 . . . . 0.0 112.594 176.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -57.36 -16.48 9.12 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 178.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -82.5 3.33 28.82 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.044 1.338 . . . . 0.0 113.379 174.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 62.92 13.03 6.27 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 126.935 2.094 . . . . 0.0 114.109 -168.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -78.1 139.64 39.04 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 120.865 -1.147 . . . . 0.0 111.877 173.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -102.1 149.26 24.45 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.528 1.131 . . . . 0.0 112.537 174.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -136.81 149.09 47.55 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 126.479 1.912 . . . . 0.0 109.52 176.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -139.92 141.25 36.53 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.959 0.904 . . . . 0.0 112.9 -179.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -136.47 87.85 21.12 Favored Pre-proline 0 CA--C 1.543 0.691 0 C-N-CA 125.523 1.529 . . . . 0.0 110.807 -170.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -66.08 145.54 79.4 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 123.038 2.492 . . . . 0.0 113.025 -177.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.94 -0.58 89.11 Favored Glycine 0 CA--C 1.537 1.465 0 C-N-CA 124.837 1.208 . . . . 0.0 115.289 -177.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 59.3 mt -100.86 161.18 13.77 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.758 1.279 . . . . 0.0 113.53 176.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.53 164.18 30.85 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 127.948 2.499 . . . . 0.0 110.256 163.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 27.4 mt -72.81 121.57 23.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 O-C-N 121.029 -1.045 . . . . 0.0 109.358 176.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.17 -45.21 2.86 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 124.687 1.137 . . . . 0.0 114.013 -176.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 76.6 ttt-85 -150.14 145.13 26.13 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.576 1.15 . . . . 0.0 111.617 -177.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 32.4 t -131.73 120.8 46.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 126.496 1.919 . . . . 0.0 108.282 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -118.61 98.72 6.38 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.297 1.439 . . . . 0.0 110.531 -172.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -82.15 -4.09 56.25 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.017 1.327 . . . . 0.0 113.419 -171.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 67.8 mtt85 -65.33 -36.42 84.0 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.734 0.814 . . . . 0.0 111.552 174.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 36.7 m -134.83 -5.54 2.45 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.1 1.36 . . . . 0.0 114.501 -175.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.43 65.22 1.96 Allowed Glycine 0 CA--C 1.533 1.184 0 CA-C-N 119.353 0.978 . . . . 0.0 112.804 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 60.7 t -128.66 136.96 58.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 124.277 1.031 . . . . 0.0 111.158 177.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 85.8 mt -123.89 120.18 58.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 125.914 1.686 . . . . 0.0 109.323 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 16.0 m -105.0 129.84 53.36 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.68 1.192 . . . . 0.0 111.295 177.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 25.5 mt -99.03 153.01 19.2 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.287 1.035 . . . . 0.0 111.923 176.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -137.05 158.96 36.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 126.727 2.011 . . . . 0.0 111.162 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 19.2 mp0 -66.11 129.56 40.23 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.633 0.773 . . . . 0.0 111.926 175.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.787 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -175.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.491 0 CA-C-O 121.444 0.64 . . . . 0.0 112.651 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -117.09 134.27 54.97 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.463 1.105 . . . . 0.0 111.285 163.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 88.4 t -99.85 141.66 16.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 124.907 1.283 . . . . 0.0 109.867 176.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.1 p -141.52 141.83 29.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.86 1.264 . . . . 0.0 112.392 -177.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp . . . . . 0 CA--C 1.539 0.552 0 C-N-CA 126.13 1.772 . . . . 0.0 112.412 -179.168 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 93.4 t . . . . . 0 N--CA 1.471 0.599 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -127.88 136.92 52.05 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.716 1.606 . . . . 0.0 110.935 177.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.0 mt -133.9 109.59 13.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.688 1.195 . . . . 0.0 109.076 -174.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.68 175.33 45.39 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 124.286 0.946 . . . . 0.0 113.587 176.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 56.25 29.96 15.81 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.993 1.317 . . . . 0.0 113.993 177.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 72.3 t -73.23 114.33 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 124.439 1.096 . . . . 0.0 109.818 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.0 tp -86.21 -27.55 24.43 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.578 1.151 . . . . 0.0 111.82 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -155.43 148.92 25.05 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.082 1.353 . . . . 0.0 112.388 177.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.3 p -143.06 143.9 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 125.533 1.533 . . . . 0.0 110.702 173.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -134.92 143.99 47.23 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 126.051 1.74 . . . . 0.0 111.598 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.588 0 C-N-CA 124.211 1.004 . . . . 0.0 109.034 160.064 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.419 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 82.1 t -98.44 145.7 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 O-C-N 121.564 -0.71 . . . . 0.0 109.73 157.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -137.03 131.74 33.26 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.452 1.501 . . . . 0.0 110.195 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.5 m -119.27 152.16 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 124.821 1.248 . . . . 0.0 111.899 -177.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 64.6 m -130.56 121.3 25.44 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.72 1.608 . . . . 0.0 109.65 174.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 42.0 p -83.7 161.0 21.19 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.458 0.703 . . . . 0.0 111.724 172.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.5 pp -65.37 -10.53 34.03 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 171.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -81.2 3.55 23.35 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 124.667 1.187 . . . . 0.0 113.15 171.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 63.44 11.41 5.54 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 127.391 2.277 . . . . 0.0 114.584 -171.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -82.32 141.58 32.76 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.073 -1.017 . . . . 0.0 111.183 170.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -122.6 152.7 40.18 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 125.124 1.37 . . . . 0.0 112.614 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -138.35 154.0 48.96 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.363 1.465 . . . . 0.0 110.418 171.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.38 145.14 34.99 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.908 0.883 . . . . 0.0 111.838 -178.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -138.5 92.03 12.0 Favored Pre-proline 0 CA--C 1.543 0.694 0 C-N-CA 125.468 1.507 . . . . 0.0 110.855 -170.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -60.76 147.27 95.59 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 123.589 2.859 . . . . 0.0 113.545 177.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.63 3.82 90.35 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 124.797 1.189 . . . . 0.0 114.522 178.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 56.6 mt -108.07 163.15 13.4 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 118.802 1.301 . . . . 0.0 113.027 176.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.92 160.06 40.65 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 127.604 2.362 . . . . 0.0 110.264 165.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 43.0 mt -68.24 117.97 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 O-C-N 121.468 -0.77 . . . . 0.0 109.063 174.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.43 -48.43 2.0 Favored Glycine 0 CA--C 1.528 0.844 0 C-N-CA 124.021 0.819 . . . . 0.0 114.353 -170.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 75.1 ttt-85 -152.62 140.16 19.73 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.547 1.139 . . . . 0.0 110.828 -174.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.1 t -119.55 134.27 63.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 123.698 0.799 . . . . 0.0 109.408 169.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -131.14 92.89 3.28 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.454 1.502 . . . . 0.0 110.637 -174.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -73.28 -15.24 61.41 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.616 1.166 . . . . 0.0 113.604 -166.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 50.0 mtm180 -66.88 -23.97 66.06 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.367 1.067 . . . . 0.0 112.325 173.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.1 m -124.1 -7.94 7.7 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.635 1.574 . . . . 0.0 113.937 178.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.36 21.88 79.21 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 125.273 1.416 . . . . 0.0 114.276 -178.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 96.0 t -93.14 137.15 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.721 1.208 . . . . 0.0 111.616 -173.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 86.0 mt -117.41 102.31 13.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 127.053 2.141 . . . . 0.0 108.016 172.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.9 m -90.21 127.76 36.21 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.073 0.949 . . . . 0.0 110.875 179.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.6 mt -92.99 153.86 18.49 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.597 0.759 . . . . 0.0 111.97 175.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -134.29 160.9 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 125.895 1.678 . . . . 0.0 111.044 178.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -71.27 134.88 47.13 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.151 -0.968 . . . . 0.0 111.956 177.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? . . . . . 0 N--CA 1.474 0.766 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -178.919 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 3.6 mpp? . . . . . 0 N--CA 1.47 0.574 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -151.3 159.23 44.43 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.961 1.305 . . . . 0.0 112.147 -177.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -101.65 134.82 44.2 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.341 1.456 . . . . 0.0 111.068 172.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 4.6 t -100.18 138.74 23.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 125.286 1.434 . . . . 0.0 109.69 165.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -139.65 140.99 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 124.906 1.282 . . . . 0.0 112.313 -179.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 pp -142.79 156.62 45.0 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.744 1.617 . . . . 0.0 112.653 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 16.8 m -107.27 131.56 54.06 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.721 1.209 . . . . 0.0 110.872 172.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -80.25 162.98 24.34 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.393 1.877 . . . . 0.0 112.931 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.1 -23.88 67.28 Favored 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 174.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 47.0 p30 -80.79 0.19 35.9 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.109 1.364 . . . . 0.0 113.727 175.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.84 -6.83 82.18 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 125.118 1.342 . . . . 0.0 115.234 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.73 174.6 52.56 Favored Glycine 0 CA--C 1.54 1.652 0 CA-C-N 119.109 1.454 . . . . 0.0 113.275 170.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -130.01 152.55 49.34 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.148 1.379 . . . . 0.0 113.114 178.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 97.5 t -128.68 138.51 54.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 126.171 1.788 . . . . 0.0 109.308 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -129.15 141.45 51.17 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.194 1.397 . . . . 0.0 111.225 -177.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 92.5 mt -132.14 111.23 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 125.738 1.615 . . . . 0.0 108.307 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.57 168.31 41.79 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.302 0.953 . . . . 0.0 114.197 178.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 53.26 43.21 31.8 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.93 1.692 . . . . 0.0 113.922 172.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 90.4 t -71.08 129.8 34.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 124.49 1.116 . . . . 0.0 111.46 -178.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 96.2 mt -89.21 -39.0 13.84 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.733 1.213 . . . . 0.0 112.305 170.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -151.53 142.92 23.44 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.589 1.156 . . . . 0.0 111.676 -177.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 7.2 p -142.87 144.67 23.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 125.023 1.329 . . . . 0.0 110.606 173.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -137.2 144.78 43.04 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.116 1.367 . . . . 0.0 112.658 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.728 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 152.101 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.499 0 CA-C-O 120.681 0.277 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 49.9 t -99.74 135.79 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 O-C-N 121.85 -0.531 . . . . 0.0 110.745 162.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -119.13 143.88 46.95 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.408 1.883 . . . . 0.0 109.985 171.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 9.8 p -147.66 145.8 18.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 C-N-CA 124.496 1.118 . . . . 0.0 112.811 -174.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 63.1 m -129.12 132.56 47.4 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.858 2.063 . . . . 0.0 111.043 -176.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 32.3 p -105.05 167.1 9.93 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.559 1.144 . . . . 0.0 113.929 -175.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 51.7 tp -45.97 -35.76 4.98 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 127.608 2.363 . . . . 0.0 114.237 170.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -84.45 6.75 22.19 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.081 1.752 . . . . 0.0 113.889 -176.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 61.4 11.58 3.79 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.797 2.039 . . . . 0.0 114.35 -170.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -76.39 142.04 41.26 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 120.973 -1.079 . . . . 0.0 110.499 169.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -124.43 151.27 44.7 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.881 1.272 . . . . 0.0 112.116 -178.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 -138.01 156.88 47.37 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.626 1.57 . . . . 0.0 111.539 179.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -145.65 143.78 30.04 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.206 1.002 . . . . 0.0 112.376 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -142.95 95.25 6.24 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 125.645 1.578 . . . . 0.0 111.886 -169.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -60.72 146.64 96.94 Favored 'Trans proline' 0 CA--C 1.54 0.816 0 C-N-CA 123.673 2.915 . . . . 0.0 114.013 178.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.1 4.81 89.79 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 124.399 1.0 . . . . 0.0 115.119 177.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 48.0 mt -105.87 161.88 14.06 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 118.614 1.207 . . . . 0.0 113.769 177.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.73 163.59 32.88 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 127.944 2.498 . . . . 0.0 110.063 165.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 32.0 mt -74.31 124.88 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 O-C-N 121.27 -0.894 . . . . 0.0 109.124 175.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -103.5 -36.03 3.41 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 124.41 1.005 . . . . 0.0 114.651 -173.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 76.0 ttt-85 -157.44 147.57 20.73 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-N 118.658 1.229 . . . . 0.0 111.022 -175.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 13.8 t -130.3 133.12 64.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 123.937 0.895 . . . . 0.0 109.712 167.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -125.64 101.2 6.78 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.652 1.581 . . . . 0.0 110.875 -174.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -81.94 -3.94 55.48 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.595 1.158 . . . . 0.0 112.971 -171.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 65.2 mtt85 -64.51 -27.53 69.03 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.31 1.044 . . . . 0.0 112.0 166.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 45.6 m -131.81 -12.27 3.35 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.7 1.6 . . . . 0.0 114.202 -174.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.76 41.3 34.72 Favored Glycine 0 CA--C 1.532 1.097 0 C-N-CA 124.17 0.89 . . . . 0.0 113.024 -178.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 43.1 t -117.07 135.06 58.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.553 1.141 . . . . 0.0 111.845 -175.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 44.9 mt -116.35 114.74 46.94 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 C-N-CA 127.744 2.418 . . . . 0.0 107.951 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 22.9 t -105.41 132.71 51.25 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.782 1.233 . . . . 0.0 111.926 -176.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 mp -103.32 148.2 26.14 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.814 1.646 . . . . 0.0 111.382 -176.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -135.43 160.36 40.13 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 126.272 1.829 . . . . 0.0 111.407 -177.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 26.5 mp0 -70.84 127.12 31.54 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.274 1.03 . . . . 0.0 112.008 177.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? . . . . . 0 N--CA 1.476 0.85 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 -171.361 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.579 0 CA-C-O 121.123 0.487 . . . . 0.0 109.901 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -138.41 135.52 35.34 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.306 1.442 . . . . 0.0 111.123 173.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.2 t -101.66 142.96 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 125.266 1.426 . . . . 0.0 110.453 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.9 p -136.68 140.27 43.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 125.316 1.446 . . . . 0.0 111.638 172.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 pp . . . . . 0 N--CA 1.469 0.5 0 C-N-CA 125.642 1.577 . . . . 0.0 112.005 -177.084 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 52.9 t . . . . . 0 N--CA 1.477 0.923 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.0 mp0 -131.32 142.47 50.1 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.552 1.541 . . . . 0.0 110.771 177.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 32.9 mt -135.28 122.66 36.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 125.034 1.334 . . . . 0.0 109.222 -178.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -96.23 173.23 29.97 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 124.72 1.152 . . . . 0.0 113.834 173.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 54.67 40.36 31.84 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.14 1.376 . . . . 0.0 114.117 175.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 83.7 t -78.21 128.72 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 125.446 1.498 . . . . 0.0 112.096 -176.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 89.4 mt -92.38 -33.77 14.44 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.282 1.433 . . . . 0.0 112.772 172.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 62.8 tt0 -157.64 147.39 20.25 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 118.781 0.719 . . . . 0.0 112.103 -169.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.1 t -137.8 139.76 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.707 1.603 . . . . 0.0 110.011 175.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -137.88 114.99 10.89 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.598 1.159 . . . . 0.0 112.393 178.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.735 0 C-N-CA 125.964 1.706 . . . . 0.0 110.097 169.166 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.526 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 82.8 t -100.24 136.63 30.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 122.936 0.495 . . . . 0.0 110.487 164.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.0 mtt85 -116.57 150.5 37.91 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.861 1.665 . . . . 0.0 110.069 173.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.1 t -136.69 140.89 42.31 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 125.416 1.486 . . . . 0.0 110.324 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 36.0 m -123.89 145.0 49.42 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.251 1.421 . . . . 0.0 110.839 177.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 49.3 p -130.54 163.9 26.05 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.87 1.268 . . . . 0.0 112.19 -176.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.98 -5.71 13.9 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 115.424 1.638 . . . . 0.0 115.424 -179.269 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -78.02 0.73 23.36 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.651 1.181 . . . . 0.0 113.274 170.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 61.01 13.3 4.49 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 126.673 1.989 . . . . 0.0 114.016 -164.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -83.84 155.56 22.9 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.76 1.224 . . . . 0.0 112.266 172.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -137.07 150.38 48.0 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.697 1.599 . . . . 0.0 112.372 -178.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 -132.19 154.0 50.0 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.945 1.698 . . . . 0.0 110.689 -179.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -146.13 140.18 26.5 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.042 0.937 . . . . 0.0 112.817 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -141.25 95.55 7.37 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 125.411 1.484 . . . . 0.0 111.12 -170.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -60.33 149.37 86.18 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 123.878 3.052 . . . . 0.0 113.507 175.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.37 9.8 86.11 Favored Glycine 0 CA--C 1.533 1.169 0 C-N-CA 124.827 1.203 . . . . 0.0 115.254 175.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.8 mt -111.47 161.97 15.58 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.846 1.258 . . . . 0.0 113.822 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -146.14 163.04 36.6 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 127.562 2.345 . . . . 0.0 110.467 165.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 23.2 mt -74.52 123.57 30.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 O-C-N 121.119 -0.988 . . . . 0.0 110.044 177.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -88.07 -45.32 5.11 Favored Glycine 0 N--CA 1.471 0.97 0 C-N-CA 124.603 1.097 . . . . 0.0 113.308 177.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -156.19 162.71 40.16 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.71 1.204 . . . . 0.0 113.144 173.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.35 124.24 51.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.826 1.251 . . . . 0.0 109.147 170.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -110.0 91.34 3.61 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.927 1.691 . . . . 0.0 110.409 -177.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -67.96 -16.39 64.04 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.714 1.206 . . . . 0.0 113.38 -171.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.9 mtm180 -61.47 -26.76 68.1 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.883 0.873 . . . . 0.0 113.075 173.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.2 t -134.22 4.38 3.46 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.808 1.243 . . . . 0.0 113.507 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.77 18.23 72.07 Favored Glycine 0 CA--C 1.539 1.559 0 C-N-CA 124.777 1.18 . . . . 0.0 115.076 -178.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.7 t -81.55 124.18 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 CA-C-N 118.816 1.308 . . . . 0.0 111.052 -176.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 97.3 mt -106.98 115.8 49.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 126.56 1.944 . . . . 0.0 108.628 173.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.4 t -103.64 125.26 50.04 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.405 1.082 . . . . 0.0 111.355 -178.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 27.0 mt -102.36 148.56 25.33 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.471 1.109 . . . . 0.0 112.171 177.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.7 pp -133.84 162.09 39.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 126.934 2.094 . . . . 0.0 110.491 -179.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -69.42 128.66 37.33 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.502 -0.749 . . . . 0.0 111.522 176.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? . . . . . 0 N--CA 1.476 0.854 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -175.053 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 53.3 mtm . . . . . 0 N--CA 1.469 0.483 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -102.05 179.49 4.31 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.015 1.326 . . . . 0.0 112.241 177.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.53 142.12 48.62 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.694 1.198 . . . . 0.0 111.709 158.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 19.8 t -99.71 145.28 10.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 125.692 1.597 . . . . 0.0 110.093 -179.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 12.4 p -135.13 141.16 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 125.108 1.363 . . . . 0.0 111.631 171.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -149.83 155.86 40.81 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.556 1.542 . . . . 0.0 112.613 -176.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 17.0 m -116.1 132.83 56.54 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.142 1.377 . . . . 0.0 110.916 178.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -85.22 160.55 19.86 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 126.372 1.869 . . . . 0.0 112.075 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.69 -24.94 67.9 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 177.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -78.21 -0.73 29.66 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 125.03 1.332 . . . . 0.0 113.51 174.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.54 -3.85 86.56 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 125.517 1.532 . . . . 0.0 115.358 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.84 166.07 54.41 Favored Glycine 0 N--CA 1.476 1.3 0 CA-C-N 118.676 1.238 . . . . 0.0 112.843 172.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -127.5 152.49 47.52 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.836 1.255 . . . . 0.0 113.563 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 96.2 t -131.84 141.6 45.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 125.666 1.586 . . . . 0.0 109.76 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -130.29 141.88 50.58 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.254 1.422 . . . . 0.0 111.737 177.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 53.1 mt -138.6 110.98 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 124.713 1.205 . . . . 0.0 109.309 -169.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.79 162.72 33.04 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 124.464 1.031 . . . . 0.0 115.428 -175.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 55.96 45.01 24.69 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.259 1.823 . . . . 0.0 113.821 170.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 3.2 p -79.78 127.62 39.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 123.976 0.911 . . . . 0.0 111.334 -178.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 86.4 mt -82.69 -34.43 27.34 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.408 1.483 . . . . 0.0 112.671 173.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -155.94 143.67 19.57 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.39 1.076 . . . . 0.0 112.341 -179.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 19.0 m -124.82 145.25 32.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 125.101 1.36 . . . . 0.0 110.548 167.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -138.19 138.45 38.57 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.125 1.37 . . . . 0.0 111.035 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.548 0 C-N-CA 123.752 0.821 . . . . 0.0 108.982 164.15 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.717 0 CA-C-O 120.397 0.141 . . . . 0.0 111.323 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 60.9 t -106.58 141.0 22.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 122.921 0.489 . . . . 0.0 111.365 162.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -118.21 143.17 46.74 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 126.649 1.98 . . . . 0.0 110.108 171.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 3.7 m -137.93 140.14 41.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.804 1.242 . . . . 0.0 110.72 -177.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 92.8 m -132.74 132.95 42.86 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.614 1.166 . . . . 0.0 111.638 -173.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 29.8 p -113.71 169.17 9.18 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.96 1.304 . . . . 0.0 113.51 -174.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -60.77 -14.96 24.66 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 115.975 1.843 . . . . 0.0 115.975 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -81.47 4.09 22.38 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.882 1.273 . . . . 0.0 113.627 174.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 61.77 14.3 6.08 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.329 1.852 . . . . 0.0 114.036 -166.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -79.44 155.4 28.35 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.159 0.983 . . . . 0.0 112.265 171.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -144.27 141.61 29.93 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.46 1.504 . . . . 0.0 110.804 -175.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -134.52 153.66 51.83 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.424 1.49 . . . . 0.0 110.316 178.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -140.07 141.82 36.18 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.468 1.107 . . . . 0.0 112.62 -176.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -138.18 96.98 9.85 Favored Pre-proline 0 CA--C 1.546 0.805 0 C-N-CA 125.697 1.599 . . . . 0.0 111.048 -169.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -62.43 147.86 94.21 Favored 'Trans proline' 0 CA--C 1.533 0.469 0 C-N-CA 123.951 3.101 . . . . 0.0 113.737 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.66 3.08 90.66 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 124.924 1.25 . . . . 0.0 114.452 176.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 63.6 mt -107.42 161.28 14.96 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 118.934 1.367 . . . . 0.0 113.587 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.61 161.49 37.93 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 128.596 2.758 . . . . 0.0 109.91 167.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 22.6 mt -74.3 122.83 28.41 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 O-C-N 120.992 -1.068 . . . . 0.0 109.87 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.61 -49.24 1.31 Allowed Glycine 0 CA--C 1.53 1.005 0 C-N-CA 124.58 1.086 . . . . 0.0 114.529 -173.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -143.24 156.82 44.83 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 118.127 0.964 . . . . 0.0 112.867 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 12.2 t -135.76 131.55 50.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 126.436 1.895 . . . . 0.0 109.03 172.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -130.55 111.49 12.31 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.03 1.332 . . . . 0.0 110.114 173.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -81.04 -15.01 57.3 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.966 0.906 . . . . 0.0 113.382 -175.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 56.2 mtm180 -68.98 -45.93 69.39 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.612 1.165 . . . . 0.0 111.509 175.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 12.3 m -88.87 -19.4 25.92 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.773 1.229 . . . . 0.0 113.565 173.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.66 36.9 58.09 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 124.345 0.974 . . . . 0.0 113.398 -171.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 71.5 t -109.3 139.93 30.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 125.318 1.447 . . . . 0.0 112.281 -172.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 73.6 mt -119.65 128.76 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 125.982 1.713 . . . . 0.0 108.422 170.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 24.4 m -114.3 128.35 56.31 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.089 0.955 . . . . 0.0 111.051 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 23.6 mt -94.61 152.3 18.62 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.003 0.921 . . . . 0.0 112.415 176.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -135.96 164.39 32.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 126.647 1.979 . . . . 0.0 110.772 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -70.31 132.04 45.07 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.898 -1.126 . . . . 0.0 112.229 177.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? . . . . . 0 N--CA 1.479 0.993 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 -176.291 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.869 0 CA-C-O 121.999 0.904 . . . . 0.0 113.411 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -135.95 143.85 45.11 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.444 1.897 . . . . 0.0 110.753 170.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.0 t -99.16 143.72 12.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 124.734 1.213 . . . . 0.0 109.953 179.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.5 p -133.97 145.6 32.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 125.728 1.611 . . . . 0.0 111.043 167.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.537 0.448 0 C-N-CA 124.416 1.086 . . . . 0.0 113.221 -178.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.4 t . . . . . 0 N--CA 1.477 0.893 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -129.49 142.93 50.66 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.827 1.651 . . . . 0.0 111.201 175.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 46.0 mt -133.04 112.65 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 125.461 1.504 . . . . 0.0 109.215 -178.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.75 162.26 32.75 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 124.363 0.982 . . . . 0.0 114.149 175.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 52.43 43.44 30.93 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 126.051 1.74 . . . . 0.0 113.715 174.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.2 p -73.69 135.97 26.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 124.012 0.925 . . . . 0.0 111.133 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.6 mt -94.48 -35.15 12.43 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.365 1.066 . . . . 0.0 112.275 175.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -155.15 143.48 20.33 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.019 0.928 . . . . 0.0 112.355 -175.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.9 t -133.89 140.75 45.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 125.843 1.657 . . . . 0.0 109.716 174.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -134.01 146.44 50.4 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.711 1.605 . . . . 0.0 111.325 175.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.527 0 C-N-CA 125.458 1.503 . . . . 0.0 111.263 176.473 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.782 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.8 t -87.89 147.8 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 124.254 1.022 . . . . 0.0 110.284 160.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -134.95 142.88 46.6 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 126.479 1.912 . . . . 0.0 110.578 177.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -148.49 145.64 18.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 124.074 0.95 . . . . 0.0 112.181 -174.086 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 42.3 m -133.85 132.67 40.64 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.497 1.119 . . . . 0.0 112.547 -177.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 44.5 p -102.74 167.14 10.08 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.581 1.552 . . . . 0.0 113.392 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.45 -8.99 45.75 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.552 1.316 . . . . 0.0 114.552 171.12 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -78.19 1.85 20.08 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.285 1.034 . . . . 0.0 112.595 171.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.306 2.0 p30 56.77 10.95 0.81 Allowed 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 128.936 2.895 . . . . 0.0 114.686 -165.252 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -74.37 129.01 36.98 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.349 1.06 . . . . 0.0 111.187 171.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -102.43 148.36 25.6 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.177 1.391 . . . . 0.0 111.426 175.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -134.07 145.06 49.03 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.094 1.758 . . . . 0.0 110.36 179.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -148.43 140.71 24.17 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.17 0.988 . . . . 0.0 112.084 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -142.23 101.63 5.7 Favored Pre-proline 0 CA--C 1.545 0.751 0 C-N-CA 124.567 1.147 . . . . 0.0 111.967 -170.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -61.34 148.09 93.85 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 123.374 2.716 . . . . 0.0 114.07 176.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.16 3.89 82.54 Favored Glycine 0 CA--C 1.539 1.542 0 C-N-CA 125.358 1.456 . . . . 0.0 115.674 175.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 73.0 mt -100.83 163.62 12.23 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.645 1.223 . . . . 0.0 113.411 177.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.83 160.06 40.97 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 127.94 2.496 . . . . 0.0 109.483 163.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 20.6 mt -71.57 123.38 25.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 O-C-N 120.484 -1.385 . . . . 0.0 108.894 175.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.5 -34.19 5.1 Favored Glycine 0 CA--C 1.529 0.922 0 C-N-CA 124.839 1.209 . . . . 0.0 114.195 -174.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -158.02 147.66 19.88 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 118.463 1.131 . . . . 0.0 111.474 -173.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.7 t -130.91 126.84 60.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 160.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -117.09 111.36 19.42 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.875 1.27 . . . . 0.0 109.412 174.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -81.93 -15.17 54.78 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.492 1.117 . . . . 0.0 112.646 -172.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 34.2 mtm180 -70.19 -35.13 73.72 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.273 1.029 . . . . 0.0 111.468 175.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 80.5 p -105.56 -11.81 16.22 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.911 1.684 . . . . 0.0 113.539 177.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.86 30.6 67.94 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 124.977 1.275 . . . . 0.0 113.926 -177.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.3 t -104.41 126.64 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.696 1.199 . . . . 0.0 112.123 -175.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.5 mt -97.13 134.5 34.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 126.073 1.749 . . . . 0.0 107.667 162.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.4 t -127.65 132.9 49.67 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.215 1.006 . . . . 0.0 111.871 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.9 mt -98.49 152.14 19.86 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.746 1.219 . . . . 0.0 112.23 178.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -135.16 160.29 40.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 126.915 2.086 . . . . 0.0 110.908 178.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -68.2 130.12 41.98 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.424 -0.797 . . . . 0.0 111.411 175.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? . . . . . 0 N--CA 1.474 0.757 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -168.093 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 60.2 mtm . . . . . 0 N--CA 1.471 0.603 0 CA-C-O 120.97 0.414 . . . . 0.0 111.813 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.68 163.31 18.34 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.154 0.982 . . . . 0.0 113.366 -178.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -96.79 141.81 29.56 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.487 1.915 . . . . 0.0 110.405 165.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 59.6 t -113.92 141.89 28.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 125.273 1.429 . . . . 0.0 109.76 169.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -139.73 143.03 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 125.214 1.406 . . . . 0.0 112.042 178.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 pp -144.45 154.56 43.07 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.89 1.676 . . . . 0.0 111.178 178.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 37.2 m -119.4 122.3 41.46 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.25 1.02 . . . . 0.0 110.101 172.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -71.86 163.7 27.36 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.385 1.074 . . . . 0.0 112.037 178.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.03 -27.39 68.29 Favored 'General case' 0 CA--C 1.552 1.047 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 -178.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -79.56 2.97 20.29 Favored 'General case' 0 CA--C 1.556 1.181 0 C-N-CA 125.592 1.557 . . . . 0.0 113.659 174.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.36 0.49 90.11 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 125.71 1.624 . . . . 0.0 115.242 -177.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.99 114.77 4.06 Favored Glycine 0 CA--C 1.532 1.133 0 CA-C-N 118.849 1.325 . . . . 0.0 112.589 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 19.4 ttp180 -77.5 144.96 37.29 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 124.564 1.146 . . . . 0.0 112.707 176.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 60.0 t -132.2 134.84 59.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 126.133 1.773 . . . . 0.0 109.207 176.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -132.55 137.45 47.13 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.394 1.478 . . . . 0.0 111.2 -173.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 65.6 mt -134.91 111.83 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 125.388 1.475 . . . . 0.0 109.154 -172.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.94 158.9 35.44 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 123.562 0.601 . . . . 0.0 113.558 175.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 56.61 48.86 15.69 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.744 1.618 . . . . 0.0 114.866 167.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 19.1 m -76.83 134.51 28.62 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 O-C-N 121.086 -1.008 . . . . 0.0 111.91 168.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 91.8 mt -75.98 -35.11 59.74 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.409 1.084 . . . . 0.0 110.509 165.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -155.97 149.21 24.54 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.791 1.236 . . . . 0.0 111.994 -172.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 7.1 p -140.18 141.64 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 126.215 1.806 . . . . 0.0 109.963 172.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -137.75 131.48 31.35 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.606 1.563 . . . . 0.0 111.054 -177.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.695 0 C-N-CA 124.512 1.125 . . . . 0.0 109.181 161.36 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.685 0 CA-C-O 120.91 0.386 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 77.8 t -109.72 142.16 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 O-C-N 121.464 -0.772 . . . . 0.0 110.908 162.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 25.0 mtp-105 -126.22 152.97 45.36 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.294 1.437 . . . . 0.0 111.133 169.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 29.4 m -132.45 153.17 37.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 125.765 1.626 . . . . 0.0 111.915 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 54.9 m -129.44 131.2 46.69 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.613 1.565 . . . . 0.0 109.78 174.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 23.4 p -110.9 169.05 9.02 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.316 1.046 . . . . 0.0 113.392 -175.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -56.23 -19.06 12.25 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 115.446 1.646 . . . . 0.0 115.446 175.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -82.85 2.36 34.63 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.168 1.387 . . . . 0.0 113.196 176.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 60.64 14.86 5.28 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 126.031 1.732 . . . . 0.0 113.94 -165.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -76.42 154.05 35.14 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.968 0.907 . . . . 0.0 111.8 170.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -132.18 146.29 51.93 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 124.646 1.178 . . . . 0.0 111.675 173.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -138.3 154.53 49.01 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.613 1.565 . . . . 0.0 110.871 -178.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -140.77 144.13 35.3 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.926 0.89 . . . . 0.0 113.21 -171.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -141.8 93.69 7.5 Favored Pre-proline 0 CA--C 1.544 0.735 0 C-N-CA 125.61 1.564 . . . . 0.0 110.396 -170.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -62.86 149.56 91.06 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 123.738 2.959 . . . . 0.0 114.048 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.86 4.19 90.44 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 125.0 1.286 . . . . 0.0 114.872 176.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 57.2 mt -106.77 160.4 15.51 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.984 1.314 . . . . 0.0 113.838 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.49 162.66 34.81 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 127.617 2.367 . . . . 0.0 109.862 165.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 30.6 mt -73.7 125.31 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 O-C-N 121.363 -0.836 . . . . 0.0 109.014 176.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -108.45 -34.24 2.72 Favored Glycine 0 CA--C 1.532 1.133 0 C-N-CA 124.189 0.899 . . . . 0.0 115.27 -170.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -157.59 148.98 21.71 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 118.342 1.071 . . . . 0.0 111.46 -177.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 38.7 t -138.12 122.0 21.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 125.432 1.493 . . . . 0.0 110.04 176.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -109.65 102.84 11.64 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.544 1.138 . . . . 0.0 110.317 177.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -74.92 -18.37 60.42 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.656 -0.652 . . . . 0.0 112.568 -178.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 84.7 mtp180 -65.2 -23.3 67.05 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.946 1.298 . . . . 0.0 113.237 170.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 50.6 m -122.89 -18.03 6.6 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.117 1.367 . . . . 0.0 114.207 -177.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.45 31.19 59.25 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.622 1.106 . . . . 0.0 113.74 -175.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 17.8 t -117.51 135.93 56.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.666 1.186 . . . . 0.0 111.67 -175.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 97.0 mt -117.31 118.8 59.83 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 C-N-CA 127.666 2.386 . . . . 0.0 108.6 -176.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 18.2 m -103.06 131.37 50.1 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.731 1.212 . . . . 0.0 111.219 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 21.7 mt -95.96 153.57 17.69 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.623 1.169 . . . . 0.0 111.928 175.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -135.26 161.64 39.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 C-N-CA 126.836 2.054 . . . . 0.0 111.029 178.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -69.0 132.3 46.45 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.536 -0.728 . . . . 0.0 111.228 175.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? . . . . . 0 N--CA 1.476 0.852 0 N-CA-C 114.847 1.425 . . . . 0.0 114.847 -164.35 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.849 0 CA-C-O 122.12 0.962 . . . . 0.0 113.051 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.2 133.16 53.61 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.739 1.615 . . . . 0.0 110.806 164.027 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.6 t -100.55 144.26 12.87 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 124.907 1.283 . . . . 0.0 110.508 -179.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.8 p -133.35 142.79 40.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 125.172 1.389 . . . . 0.0 111.719 170.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 CA--C 1.538 0.501 0 C-N-CA 125.435 1.494 . . . . 0.0 112.682 -178.439 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.9 t . . . . . 0 N--CA 1.475 0.819 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -126.78 140.69 52.19 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.777 1.631 . . . . 0.0 111.369 176.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.0 mt -136.24 110.73 10.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 124.8 1.24 . . . . 0.0 109.874 -172.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.6 162.5 30.46 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.51 1.052 . . . . 0.0 114.35 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 54.09 42.02 31.77 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.414 1.886 . . . . 0.0 114.009 174.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.6 p -72.87 126.27 33.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 O-C-N 121.231 -0.918 . . . . 0.0 111.092 178.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.0 mt -83.16 -34.8 25.93 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.712 1.205 . . . . 0.0 111.505 173.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 65.2 tt0 -153.35 142.64 21.53 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.663 1.185 . . . . 0.0 112.27 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.9 p -132.22 145.64 34.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 126.104 1.762 . . . . 0.0 110.145 170.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -153.09 147.0 25.33 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.279 1.031 . . . . 0.0 112.722 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.528 0 C-N-CA 124.85 1.26 . . . . 0.0 108.96 168.75 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.588 0 N-CA-C 111.477 0.177 . . . . 0.0 111.477 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 66.9 t -88.68 139.87 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 O-C-N 121.865 -0.522 . . . . 0.0 110.091 160.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.3 mtt-85 -131.39 142.29 50.02 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 125.925 1.69 . . . . 0.0 109.266 -173.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.2 m -131.96 150.7 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 125.065 1.346 . . . . 0.0 111.997 -175.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 57.4 m -127.3 124.82 39.65 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.881 1.672 . . . . 0.0 109.541 170.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 40.5 p -98.14 166.57 11.35 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.512 1.125 . . . . 0.0 113.413 -176.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.3 tp -48.93 -31.06 6.71 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.968 2.107 . . . . 0.0 113.706 173.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -84.85 6.96 22.58 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.478 1.511 . . . . 0.0 113.893 -177.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 61.65 11.15 3.75 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.927 2.091 . . . . 0.0 114.606 -169.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -80.03 147.35 31.54 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.111 0.964 . . . . 0.0 111.408 172.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -130.12 148.2 51.94 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.205 1.402 . . . . 0.0 112.078 -176.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -140.99 158.84 43.37 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.285 1.434 . . . . 0.0 111.51 177.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.42 145.92 34.31 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.734 1.214 . . . . 0.0 112.37 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -138.72 94.88 10.11 Favored Pre-proline 0 CA--C 1.542 0.66 0 C-N-CA 126.388 1.875 . . . . 0.0 110.638 -168.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -60.9 148.51 92.23 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 123.666 2.911 . . . . 0.0 114.748 -178.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.2 1.01 87.61 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 124.986 1.279 . . . . 0.0 114.988 176.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 52.6 mt -97.28 162.69 13.23 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 118.985 1.393 . . . . 0.0 114.05 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.98 161.95 36.36 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 127.282 2.233 . . . . 0.0 110.74 162.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 41.5 mt -73.67 120.69 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 O-C-N 121.2 -0.938 . . . . 0.0 109.462 175.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.76 -48.11 2.0 Favored Glycine 0 CA--C 1.529 0.912 0 C-N-CA 124.115 0.864 . . . . 0.0 113.931 -173.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 75.9 ttt-85 -147.54 146.62 29.51 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.845 1.258 . . . . 0.0 112.186 -176.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 50.4 t -133.73 123.06 44.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 126.652 1.981 . . . . 0.0 108.384 177.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -124.58 94.84 4.32 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.238 1.415 . . . . 0.0 110.585 -170.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -74.76 -8.68 57.17 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.38 1.472 . . . . 0.0 113.241 -171.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 58.2 mtt85 -64.32 -23.91 67.46 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.527 1.131 . . . . 0.0 112.789 173.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.3 t -137.28 -21.55 1.18 Allowed 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 126.204 1.802 . . . . 0.0 113.507 178.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 85.44 36.78 10.31 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 120.956 -1.09 . . . . 0.0 113.081 -172.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.2 t -89.81 137.79 20.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 CA-C-N 118.055 0.927 . . . . 0.0 109.98 173.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 66.3 mt -124.0 129.94 74.04 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 C-N-CA 125.649 1.58 . . . . 0.0 108.809 172.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.8 m -121.77 128.17 51.44 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.649 1.18 . . . . 0.0 110.904 -177.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.8 mt -94.67 153.95 17.57 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.641 0.776 . . . . 0.0 112.422 178.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.6 pt -123.38 163.7 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 127.294 2.238 . . . . 0.0 109.929 176.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 -68.54 135.6 51.8 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.367 -0.833 . . . . 0.0 109.302 159.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 . . . . . 0 N--CA 1.478 0.943 0 O-C-N 121.397 -0.815 . . . . 0.0 112.792 -178.854 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 2.3 mpp? . . . . . 0 N--CA 1.477 0.911 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -160.24 171.03 19.92 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.864 1.665 . . . . 0.0 110.45 170.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 58.8 pttt -134.63 153.76 51.82 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.236 1.414 . . . . 0.0 111.941 168.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 75.5 t -99.15 146.48 8.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 125.393 1.477 . . . . 0.0 110.254 172.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 9.4 p -137.91 140.04 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 C-N-CA 125.36 1.464 . . . . 0.0 111.194 171.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -148.42 157.63 43.6 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.402 1.481 . . . . 0.0 112.442 -176.111 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 14.7 m -112.45 130.93 55.82 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.052 1.341 . . . . 0.0 110.505 173.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -80.87 163.66 23.23 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.235 1.414 . . . . 0.0 112.774 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.92 -20.56 65.31 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 123.597 0.759 . . . . 0.0 112.841 166.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -69.46 -11.62 60.97 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 125.069 1.348 . . . . 0.0 113.92 171.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.62 -9.9 57.62 Favored Glycine 0 CA--C 1.54 1.632 0 C-N-CA 125.507 1.527 . . . . 0.0 114.843 -171.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.02 171.12 55.12 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.991 1.282 . . . . 0.0 113.016 171.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -125.05 152.02 44.84 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.771 1.229 . . . . 0.0 112.917 -178.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 84.3 t -134.99 145.5 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 126.718 2.007 . . . . 0.0 109.801 -176.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -133.94 149.14 51.26 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.429 1.492 . . . . 0.0 111.95 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -131.37 113.98 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 125.543 1.537 . . . . 0.0 109.237 177.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.9 163.81 33.64 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.426 1.012 . . . . 0.0 114.635 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 53.25 44.98 29.45 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.929 1.692 . . . . 0.0 113.876 175.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 28.5 m -75.24 138.29 21.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 O-C-N 120.673 -1.267 . . . . 0.0 111.827 -178.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 97.0 mt -92.06 -29.88 16.32 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.138 1.375 . . . . 0.0 111.967 170.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 61.7 tt0 -156.14 146.45 21.57 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 124.049 0.94 . . . . 0.0 112.433 -177.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 19.5 t -142.09 135.94 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 125.979 1.712 . . . . 0.0 108.549 173.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -145.99 144.82 30.35 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.146 0.979 . . . . 0.0 112.914 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.657 0 C-N-CA 125.135 1.374 . . . . 0.0 108.776 168.381 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.725 0 CA-C-O 120.803 0.335 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 75.2 t -104.18 140.16 23.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 O-C-N 121.649 -0.657 . . . . 0.0 110.436 160.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -128.14 141.01 51.61 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.66 1.984 . . . . 0.0 109.801 177.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -150.67 146.12 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.825 0.85 . . . . 0.0 112.41 -168.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 30.8 m -126.87 138.92 53.39 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.476 1.91 . . . . 0.0 111.143 -175.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 26.4 p -104.98 167.25 9.83 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 -177.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 54.5 tp -51.15 -32.31 22.67 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 127.772 2.429 . . . . 0.0 113.396 171.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -87.31 8.49 24.06 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.969 1.708 . . . . 0.0 113.112 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 26.8 t0 61.33 24.62 14.7 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 127.022 2.129 . . . . 0.0 114.1 -176.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -85.62 150.97 24.26 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.008 0.923 . . . . 0.0 110.682 169.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -121.44 144.7 48.54 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.45 1.5 . . . . 0.0 111.862 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -134.54 152.73 51.98 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.76 1.624 . . . . 0.0 110.808 178.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.4 142.54 30.4 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.791 1.236 . . . . 0.0 112.077 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -139.96 90.89 10.54 Favored Pre-proline 0 CA--C 1.543 0.693 0 C-N-CA 125.228 1.411 . . . . 0.0 110.794 -171.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -60.94 144.85 99.66 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.523 2.815 . . . . 0.0 113.28 178.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.34 5.2 90.18 Favored Glycine 0 CA--C 1.533 1.192 0 CA-C-O 118.986 -0.897 . . . . 0.0 114.888 178.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 36.7 mt -104.89 163.42 12.53 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 119.152 1.476 . . . . 0.0 113.334 176.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.19 162.33 35.88 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 127.779 2.432 . . . . 0.0 109.535 164.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 53.6 mt -75.09 121.89 27.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 O-C-N 121.03 -1.043 . . . . 0.0 108.956 176.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -98.13 -38.04 4.18 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 124.45 1.024 . . . . 0.0 114.358 -175.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 75.2 ttt-85 -157.64 144.57 18.14 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.752 1.221 . . . . 0.0 111.576 -174.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 14.6 t -125.97 128.23 71.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 123.461 0.704 . . . . 0.0 109.706 166.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -115.3 95.36 5.14 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.383 1.873 . . . . 0.0 110.109 -177.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -75.79 -11.28 59.95 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.941 1.296 . . . . 0.0 112.916 -172.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 44.8 mtt85 -65.26 -33.36 75.81 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.775 1.23 . . . . 0.0 112.078 172.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 49.9 m -126.26 -4.88 6.7 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.698 1.599 . . . . 0.0 114.05 -175.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.44 41.21 67.46 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 124.935 1.255 . . . . 0.0 113.723 -178.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 55.2 t -111.2 126.74 68.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 CA-C-N 118.305 1.053 . . . . 0.0 111.809 -177.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 79.8 mt -107.68 111.54 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 C-N-CA 126.644 1.978 . . . . 0.0 108.59 175.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 36.0 m -100.42 125.49 46.71 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.182 0.993 . . . . 0.0 111.307 -178.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 18.1 mt -95.3 152.36 18.44 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.219 1.008 . . . . 0.0 111.475 176.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -133.55 159.7 42.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 126.987 2.115 . . . . 0.0 110.401 177.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -73.69 137.12 43.87 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 121.392 -0.818 . . . . 0.0 111.622 175.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? . . . . . 0 CA--C 1.548 0.895 0 C-N-CA 123.955 0.902 . . . . 0.0 112.868 178.145 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.794 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -136.5 130.55 32.68 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 126.196 1.798 . . . . 0.0 110.4 165.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 45.4 t -100.43 142.01 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 124.295 1.038 . . . . 0.0 110.663 -173.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.8 p -137.77 143.66 33.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 125.543 1.537 . . . . 0.0 111.583 173.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.617 0 C-N-CA 125.74 1.616 . . . . 0.0 112.177 177.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 42.1 t . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -136.87 145.52 44.48 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.821 1.248 . . . . 0.0 111.551 176.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.6 mt -136.37 124.4 35.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 124.732 1.213 . . . . 0.0 109.615 -177.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -95.2 162.02 23.58 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 124.627 1.108 . . . . 0.0 113.806 175.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 51.02 46.45 26.4 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.574 1.55 . . . . 0.0 112.99 -179.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 74.5 t -75.2 120.75 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 124.088 0.955 . . . . 0.0 109.785 177.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.9 tp -98.17 -23.36 15.73 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.355 1.462 . . . . 0.0 112.28 -175.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -160.95 150.53 17.11 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.862 0.865 . . . . 0.0 112.007 173.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 30.6 m -132.6 150.36 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 C-N-CA 124.743 1.217 . . . . 0.0 111.889 165.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -140.51 138.98 34.99 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.595 1.558 . . . . 0.0 111.627 176.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.713 0 C-N-CA 124.373 1.069 . . . . 0.0 110.758 166.223 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.624 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.6 t -105.12 144.01 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 123.905 0.882 . . . . 0.0 110.54 161.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -118.22 148.73 42.1 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 126.281 1.832 . . . . 0.0 111.097 170.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.9 t -132.55 140.9 46.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 126.439 1.896 . . . . 0.0 109.236 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.3 m -121.8 124.68 44.75 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.319 1.447 . . . . 0.0 109.798 171.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 48.8 p -87.75 168.39 13.0 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.0 0.92 . . . . 0.0 113.164 176.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.8 tp -48.47 -33.88 10.15 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.958 1.703 . . . . 0.0 113.734 167.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -83.96 6.87 20.23 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.745 1.618 . . . . 0.0 113.767 -174.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 61.18 11.24 3.39 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 127.076 2.151 . . . . 0.0 114.57 -170.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -77.13 131.97 38.59 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.072 -1.018 . . . . 0.0 110.577 170.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -98.8 149.5 22.82 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.137 0.975 . . . . 0.0 112.836 173.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -129.88 151.85 49.99 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.944 1.698 . . . . 0.0 110.226 170.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -140.67 143.22 34.99 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.037 0.935 . . . . 0.0 112.489 -177.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -138.61 91.58 12.08 Favored Pre-proline 0 CA--C 1.539 0.551 0 C-N-CA 125.293 1.437 . . . . 0.0 110.749 -173.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -67.68 147.5 75.99 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 123.006 2.471 . . . . 0.0 111.935 177.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.01 2.64 90.67 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 125.292 1.425 . . . . 0.0 114.601 -178.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 43.7 mt -108.82 165.16 11.77 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 118.808 1.304 . . . . 0.0 113.311 177.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.0 160.29 39.74 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 127.756 2.423 . . . . 0.0 109.889 163.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 34.2 mt -68.22 120.75 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 O-C-N 120.96 -1.087 . . . . 0.0 108.856 174.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -107.92 -39.65 1.82 Allowed Glycine 0 CA--C 1.531 1.04 0 C-N-CA 124.268 0.937 . . . . 0.0 115.073 -167.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 49.6 ttt180 -152.2 148.32 27.45 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 118.449 1.125 . . . . 0.0 111.586 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.7 t -133.29 129.41 56.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 125.269 1.428 . . . . 0.0 109.713 174.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -113.93 106.45 14.45 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.17 1.388 . . . . 0.0 110.903 172.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -79.19 -8.65 59.18 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.229 -0.92 . . . . 0.0 112.603 178.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.7 mtm180 -67.8 -23.16 65.17 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.298 1.839 . . . . 0.0 113.339 169.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 88.9 p -141.91 -10.05 0.9 Allowed 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 -171.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.27 6.32 88.85 Favored Glycine 0 CA--C 1.538 1.527 0 C-N-CA 125.493 1.521 . . . . 0.0 114.757 -177.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.9 t -74.02 133.08 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 CA-C-N 119.15 1.475 . . . . 0.0 111.686 -178.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 77.1 mt -116.02 125.71 73.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 126.855 2.062 . . . . 0.0 107.457 167.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 36.2 t -118.79 131.32 56.1 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.115 1.366 . . . . 0.0 110.776 -178.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.8 mt -101.59 148.11 25.62 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.448 1.099 . . . . 0.0 111.56 -178.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -128.58 157.74 41.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 125.965 1.706 . . . . 0.0 111.226 -178.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -71.49 125.48 27.15 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.573 -0.704 . . . . 0.0 112.065 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.759 0 C-N-CA 123.403 0.681 . . . . 0.0 112.629 173.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 74.5 mtm . . . . . 0 N--CA 1.469 0.49 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -82.66 173.66 11.72 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.25 1.02 . . . . 0.0 112.089 171.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -121.98 144.54 48.82 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.853 1.261 . . . . 0.0 110.922 164.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 73.2 t -99.84 144.05 12.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 125.117 1.367 . . . . 0.0 110.016 178.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 9.7 p -135.69 140.51 44.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 125.432 1.493 . . . . 0.0 111.496 173.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 pp -149.53 157.23 43.09 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.613 1.565 . . . . 0.0 112.709 -177.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 18.1 m -111.69 133.01 54.22 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.048 1.339 . . . . 0.0 111.16 177.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -83.37 161.7 21.28 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.454 1.502 . . . . 0.0 112.4 178.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.31 -21.66 65.43 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 169.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -70.33 -10.39 58.87 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.204 1.402 . . . . 0.0 113.917 172.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.14 -8.2 68.22 Favored Glycine 0 CA--C 1.539 1.587 0 C-N-CA 125.411 1.481 . . . . 0.0 114.44 -173.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.68 170.54 55.01 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 124.836 1.207 . . . . 0.0 112.927 170.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -126.84 153.56 45.5 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.633 1.173 . . . . 0.0 113.054 -179.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 68.9 t -132.88 144.17 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 126.376 1.871 . . . . 0.0 109.358 -176.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -131.76 149.11 52.57 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.098 1.359 . . . . 0.0 111.788 177.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -129.37 119.79 49.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 124.993 1.317 . . . . 0.0 109.142 173.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -94.74 170.82 29.76 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 124.847 1.213 . . . . 0.0 113.192 173.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 53.97 42.95 31.48 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.161 1.385 . . . . 0.0 113.46 178.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 70.1 t -80.81 121.61 34.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 125.436 1.495 . . . . 0.0 111.845 -176.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 89.9 mt -83.98 -32.5 24.95 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.807 1.243 . . . . 0.0 113.023 172.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -157.01 149.38 23.16 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.764 0.711 . . . . 0.0 112.294 -172.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 39.9 t -132.96 141.57 44.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 125.096 1.359 . . . . 0.0 109.716 170.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 41.3 mtt180 -134.22 136.13 43.46 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.801 1.64 . . . . 0.0 109.875 -179.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.428 0 C-N-CA 124.479 1.112 . . . . 0.0 111.288 179.806 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.42 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 70.0 t -83.05 137.69 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 123.462 0.705 . . . . 0.0 109.23 163.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -113.58 151.62 31.42 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.035 1.334 . . . . 0.0 111.064 173.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 41.2 t -136.51 141.33 41.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 125.318 1.447 . . . . 0.0 109.872 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 39.2 m -117.74 139.08 51.54 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.709 1.204 . . . . 0.0 110.634 177.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 25.4 p -128.84 155.06 45.81 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.182 1.393 . . . . 0.0 112.408 -178.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.41 -4.44 3.91 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 116.538 2.051 . . . . 0.0 116.538 -171.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -75.01 4.86 5.9 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.569 1.148 . . . . 0.0 113.289 167.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 59.43 25.47 14.22 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 126.628 1.971 . . . . 0.0 113.245 -164.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -90.74 154.79 19.28 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 124.509 1.124 . . . . 0.0 111.891 174.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -132.62 134.52 44.99 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 124.929 1.292 . . . . 0.0 110.903 174.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -114.07 154.05 28.39 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 126.638 1.975 . . . . 0.0 109.702 -176.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.96 137.91 26.47 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.538 0.735 . . . . 0.0 112.348 179.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -137.05 97.23 11.01 Favored Pre-proline 0 CA--C 1.546 0.801 0 C-N-CA 125.37 1.468 . . . . 0.0 111.034 -170.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_exo -61.58 148.89 91.94 Favored 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 123.966 3.11 . . . . 0.0 114.815 -178.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.88 19.69 78.36 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 124.337 0.97 . . . . 0.0 115.345 172.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 69.0 mt -112.45 166.73 11.04 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.347 1.459 . . . . 0.0 113.015 177.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -146.77 160.46 42.23 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 127.262 2.225 . . . . 0.0 109.938 164.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 50.6 mt -71.83 120.42 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 O-C-N 121.183 -0.948 . . . . 0.0 109.126 175.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.32 -41.75 6.44 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 124.726 1.155 . . . . 0.0 113.663 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 39.2 ptt85 -161.15 155.98 23.7 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.448 1.499 . . . . 0.0 112.708 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 24.9 t -132.91 114.79 22.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 C-N-CA 124.854 1.261 . . . . 0.0 108.763 171.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -111.17 89.0 2.92 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.479 1.112 . . . . 0.0 110.327 -167.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -67.76 -14.57 63.06 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 121.087 -1.008 . . . . 0.0 112.65 -176.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 53.9 mtm180 -60.48 -22.44 63.51 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.811 1.645 . . . . 0.0 113.743 166.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 21.3 t -132.86 -20.85 2.2 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.364 1.466 . . . . 0.0 113.905 -174.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.82 25.98 51.27 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 124.82 1.2 . . . . 0.0 113.714 -176.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 94.0 t -106.17 128.98 60.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.984 1.314 . . . . 0.0 111.843 -176.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 97.1 mt -102.19 117.82 48.12 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 C-N-CA 126.367 1.867 . . . . 0.0 107.95 165.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 32.7 t -106.38 126.32 52.1 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.423 0.689 . . . . 0.0 110.777 -178.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 32.9 mt -99.77 145.52 27.6 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.396 1.078 . . . . 0.0 111.891 175.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -133.76 156.68 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 126.295 1.838 . . . . 0.0 110.732 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 19.6 mp0 -70.86 129.8 40.01 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 121.363 -0.835 . . . . 0.0 112.283 -179.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? . . . . . 0 N--CA 1.477 0.925 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 179.989 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.736 0 CA-C-O 121.372 0.606 . . . . 0.0 112.292 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -124.79 149.42 47.41 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.662 1.185 . . . . 0.0 111.466 161.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 53.8 t -100.15 144.34 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 125.333 1.453 . . . . 0.0 110.24 174.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.5 p -135.74 140.71 43.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 125.622 1.569 . . . . 0.0 111.764 173.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.543 0.676 0 C-N-CA 125.753 1.621 . . . . 0.0 111.879 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 87.6 t . . . . . 0 N--CA 1.47 0.541 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -129.88 145.33 51.6 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.021 1.328 . . . . 0.0 111.25 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -126.32 109.94 22.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 125.321 1.448 . . . . 0.0 107.965 175.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.27 163.3 41.04 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 124.251 0.929 . . . . 0.0 113.787 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 52.98 48.18 22.99 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.954 1.702 . . . . 0.0 113.932 172.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.3 t -79.77 126.31 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 126.415 1.886 . . . . 0.0 112.241 -178.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 86.2 mt -80.73 -36.65 31.8 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.716 1.206 . . . . 0.0 112.3 172.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -158.6 150.03 20.86 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -175.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.5 t -134.11 142.17 41.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 126.24 1.816 . . . . 0.0 109.827 172.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -138.38 147.28 43.24 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.569 1.548 . . . . 0.0 111.493 174.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.433 0 C-N-CA 125.392 1.477 . . . . 0.0 109.998 176.626 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.523 0 CA-C-O 120.802 0.334 . . . . 0.0 111.466 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 72.3 t -112.32 142.67 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 123.71 0.804 . . . . 0.0 110.904 171.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -125.58 144.3 50.63 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.351 1.86 . . . . 0.0 109.793 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.7 t -137.3 145.34 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 125.534 1.534 . . . . 0.0 111.058 -173.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 86.6 m -124.53 128.77 49.44 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.781 1.233 . . . . 0.0 111.307 171.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 37.8 p -94.43 170.69 9.31 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.921 1.288 . . . . 0.0 112.826 177.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -58.31 -17.98 23.72 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 175.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -80.06 -0.96 37.82 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.684 1.194 . . . . 0.0 113.329 175.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 61.93 11.7 4.36 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.472 1.909 . . . . 0.0 113.888 -162.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -75.01 130.23 38.99 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.373 1.069 . . . . 0.0 111.277 174.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -96.87 148.43 22.94 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.425 1.09 . . . . 0.0 112.542 178.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -131.79 154.95 48.58 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.945 1.698 . . . . 0.0 110.453 171.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.81 146.22 35.63 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.05 0.94 . . . . 0.0 112.341 176.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -138.88 87.98 14.0 Favored Pre-proline 0 CA--C 1.545 0.755 0 C-N-CA 125.982 1.713 . . . . 0.0 110.323 -170.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -69.4 147.37 65.06 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 123.152 2.568 . . . . 0.0 112.369 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.87 3.39 90.51 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 125.515 1.531 . . . . 0.0 114.853 -177.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 35.3 mt -108.04 162.77 13.73 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 118.902 1.351 . . . . 0.0 113.413 178.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.44 161.05 38.86 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 127.875 2.47 . . . . 0.0 109.929 166.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 39.2 mt -72.28 122.25 24.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 O-C-N 120.976 -1.077 . . . . 0.0 109.425 175.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.1 -47.7 3.52 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 124.562 1.077 . . . . 0.0 113.302 -178.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.0 ptt85 -155.92 163.3 39.93 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.558 1.143 . . . . 0.0 112.531 173.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.2 t -126.66 128.38 71.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 123.965 0.906 . . . . 0.0 109.211 166.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -114.22 88.44 2.86 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.655 1.582 . . . . 0.0 110.445 -176.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -69.5 -10.71 59.25 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.394 1.478 . . . . 0.0 112.558 -173.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 62.2 mtt85 -61.02 -27.47 68.35 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.592 1.157 . . . . 0.0 112.222 169.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.7 m -135.16 0.66 2.87 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.585 1.554 . . . . 0.0 113.646 -176.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.96 32.65 73.59 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 124.717 1.151 . . . . 0.0 114.37 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.8 t -102.46 122.9 55.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 118.334 1.067 . . . . 0.0 111.788 -175.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.5 mt -97.67 112.54 29.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 125.751 1.62 . . . . 0.0 108.6 169.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.7 t -100.74 124.53 46.5 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 124.339 1.056 . . . . 0.0 111.859 -177.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.8 mt -98.72 149.8 22.46 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.81 1.244 . . . . 0.0 111.997 178.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -134.87 161.0 40.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 126.943 2.097 . . . . 0.0 110.528 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -70.83 133.01 46.14 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.205 -0.934 . . . . 0.0 112.101 176.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? . . . . . 0 N--CA 1.476 0.863 0 C-N-CA 123.831 0.852 . . . . 0.0 113.179 -178.926 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 5.5 mpp? . . . . . 0 N--CA 1.468 0.454 0 CA-C-O 121.363 0.601 . . . . 0.0 112.057 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.44 -177.21 6.08 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.839 1.255 . . . . 0.0 111.982 171.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -128.6 144.29 51.12 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.541 1.536 . . . . 0.0 111.105 164.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 25.5 t -100.35 142.45 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.736 1.214 . . . . 0.0 110.363 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 10.5 p -133.79 143.53 38.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 C-N-CA 125.903 1.681 . . . . 0.0 110.797 170.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp -138.02 151.19 47.64 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.621 1.568 . . . . 0.0 110.942 176.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 15.5 m -111.16 128.65 55.97 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.073 0.949 . . . . 0.0 110.795 176.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 36.5 mtmt -79.84 164.83 23.3 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 126.292 1.837 . . . . 0.0 112.726 179.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.12 -25.73 68.22 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.431 1.093 . . . . 0.0 113.815 174.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 44.3 p30 -79.94 -0.47 35.25 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.72 1.208 . . . . 0.0 113.78 175.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.13 -5.46 84.12 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 126.005 1.764 . . . . 0.0 115.642 -179.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.54 170.78 55.11 Favored Glycine 0 CA--C 1.538 1.505 0 CA-C-N 118.976 1.388 . . . . 0.0 113.308 171.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -128.59 154.26 46.38 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.913 1.285 . . . . 0.0 113.11 -179.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 46.1 t -133.92 143.49 38.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 126.276 1.831 . . . . 0.0 109.466 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 17.5 mp0 -130.27 150.86 51.32 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.018 0.927 . . . . 0.0 112.838 -175.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -133.01 107.31 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 125.56 1.544 . . . . 0.0 108.612 173.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.74 156.87 39.06 Favored Glycine 0 CA--C 1.531 1.036 0 C-N-CA 124.113 0.863 . . . . 0.0 114.03 -179.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 52.9 46.19 27.26 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 126.226 1.811 . . . . 0.0 113.586 174.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 11.1 p -67.93 130.39 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 124.145 0.978 . . . . 0.0 111.325 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 86.6 mt -86.88 -33.3 19.81 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.395 1.478 . . . . 0.0 111.866 172.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 70.8 tt0 -155.37 143.16 19.82 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.198 0.999 . . . . 0.0 112.157 178.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 7.6 p -130.83 138.43 53.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.655 1.582 . . . . 0.0 109.412 171.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 42.9 mtt85 -135.8 128.76 31.35 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.98 1.312 . . . . 0.0 110.578 -170.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.55 0 C-N-CA 125.083 1.353 . . . . 0.0 109.328 172.548 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.502 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 81.3 t -114.46 137.47 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 123.43 0.692 . . . . 0.0 111.555 164.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -114.61 151.88 32.77 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.564 1.546 . . . . 0.0 111.243 169.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 28.4 m -136.3 149.42 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 125.598 1.559 . . . . 0.0 111.102 176.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 28.0 m -132.38 135.29 46.04 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 126.033 1.733 . . . . 0.0 110.812 -178.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 23.1 p -120.08 166.38 13.47 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.989 0.916 . . . . 0.0 113.303 -177.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -65.2 -9.01 19.93 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 174.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -84.48 11.2 9.06 Favored 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 124.942 1.297 . . . . 0.0 113.159 172.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 61.07 11.4 3.39 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 127.165 2.186 . . . . 0.0 114.812 -170.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -85.83 148.98 25.56 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.088 1.355 . . . . 0.0 112.03 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -128.53 151.51 49.36 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.266 1.026 . . . . 0.0 112.376 166.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -131.03 157.49 42.88 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.222 1.409 . . . . 0.0 110.633 172.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -136.49 141.69 43.5 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.717 1.207 . . . . 0.0 111.938 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -139.27 90.01 11.96 Favored Pre-proline 0 CA--C 1.544 0.736 0 C-N-CA 125.675 1.59 . . . . 0.0 110.654 -172.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -66.19 146.83 82.66 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 122.945 2.43 . . . . 0.0 112.221 177.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.29 2.33 90.57 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 125.182 1.372 . . . . 0.0 115.428 -177.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 28.8 mt -99.26 163.65 12.46 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.128 1.464 . . . . 0.0 113.635 175.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -144.8 160.08 41.83 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 127.408 2.283 . . . . 0.0 110.587 164.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 29.1 mt -73.42 122.1 25.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 O-C-N 121.239 -0.913 . . . . 0.0 109.249 174.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.3 -36.05 3.97 Favored Glycine 0 CA--C 1.532 1.104 0 C-N-CA 124.4 1.0 . . . . 0.0 114.368 -177.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -153.7 145.05 23.06 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.669 1.588 . . . . 0.0 110.847 -173.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 39.9 t -136.96 105.68 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 125.987 1.715 . . . . 0.0 107.927 174.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -113.37 101.02 8.99 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.322 1.049 . . . . 0.0 110.421 -173.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -75.07 -16.48 60.57 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.196 1.398 . . . . 0.0 112.781 -173.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 25.3 mtt85 -64.81 -40.51 95.34 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 118.931 0.787 . . . . 0.0 111.319 172.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 55.2 m -93.34 -20.15 20.65 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.263 1.425 . . . . 0.0 113.614 175.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.86 31.59 62.06 Favored Glycine 0 CA--C 1.533 1.21 0 C-N-CA 124.391 0.996 . . . . 0.0 113.255 -171.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 94.6 t -114.65 130.99 68.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.561 1.144 . . . . 0.0 112.194 -171.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 14.3 mt -103.93 120.49 54.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 126.414 1.885 . . . . 0.0 108.482 169.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 15.8 m -104.44 121.1 42.72 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.256 1.022 . . . . 0.0 111.149 175.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 25.8 mt -91.05 149.37 21.85 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.29 1.036 . . . . 0.0 111.053 171.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -133.81 157.86 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 126.1 1.76 . . . . 0.0 110.621 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -70.32 130.56 42.3 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.729 -0.607 . . . . 0.0 110.653 173.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? . . . . . 0 N--CA 1.473 0.713 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -166.127 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.494 0 CA-C-O 121.096 0.474 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -140.41 129.26 23.22 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.739 1.616 . . . . 0.0 111.412 177.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 20.2 t -99.71 144.54 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 125.338 1.455 . . . . 0.0 110.664 -178.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.8 p -137.2 139.69 43.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 125.263 1.425 . . . . 0.0 111.14 174.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 pp . . . . . 0 CA--C 1.539 0.546 0 C-N-CA 125.625 1.57 . . . . 0.0 112.125 -177.316 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.7 t . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 120.767 0.317 . . . . 0.0 110.626 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.3 mp0 -128.98 147.34 50.85 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.313 1.445 . . . . 0.0 111.115 174.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 54.0 mt -133.04 118.57 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 125.407 1.483 . . . . 0.0 108.725 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.87 168.12 31.27 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 124.554 1.073 . . . . 0.0 114.228 175.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 54.6 41.62 31.82 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.764 1.626 . . . . 0.0 114.112 174.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 74.8 t -72.83 130.78 35.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 125.511 1.524 . . . . 0.0 112.172 -176.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 97.5 mt -98.21 -35.51 10.34 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.214 1.406 . . . . 0.0 113.276 174.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.2 tt0 -156.92 143.81 18.55 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.125 0.97 . . . . 0.0 111.661 -171.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.3 t -137.45 137.81 45.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 126.17 1.788 . . . . 0.0 109.276 174.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -133.84 146.15 50.36 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.797 1.639 . . . . 0.0 111.712 -179.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.438 0 C-N-CA 125.33 1.452 . . . . 0.0 110.321 173.595 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.625 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.7 t -121.05 140.01 46.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 C-N-CA 124.812 1.245 . . . . 0.0 111.558 175.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -120.76 147.48 45.26 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.977 2.111 . . . . 0.0 109.339 174.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -149.9 143.49 17.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 123.674 0.79 . . . . 0.0 112.598 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 61.3 m -127.46 145.48 50.82 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 126.326 1.85 . . . . 0.0 111.697 -175.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 43.6 p -125.49 166.35 16.8 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.887 1.275 . . . . 0.0 113.707 -169.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.5 tt -52.53 -30.28 29.62 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.663 1.985 . . . . 0.0 113.955 173.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -74.51 2.2 10.17 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.251 1.42 . . . . 0.0 113.803 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.1 t0 60.79 18.71 8.9 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.4 1.88 . . . . 0.0 113.095 -167.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -88.67 144.16 26.46 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.901 1.281 . . . . 0.0 110.896 174.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -136.25 137.36 40.69 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.103 1.361 . . . . 0.0 111.509 -175.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 61.0 m-70 -129.17 152.11 49.11 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.945 1.698 . . . . 0.0 111.332 -169.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -137.34 141.1 41.82 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.74 1.216 . . . . 0.0 111.951 176.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -140.14 91.99 9.79 Favored Pre-proline 0 CA--C 1.543 0.676 0 C-N-CA 125.496 1.518 . . . . 0.0 110.32 -173.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -68.99 148.94 71.16 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 123.04 2.493 . . . . 0.0 111.901 175.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.06 -2.95 85.79 Favored Glycine 0 CA--C 1.535 1.331 0 C-N-CA 125.43 1.49 . . . . 0.0 114.894 -175.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 40.3 mt -104.67 162.32 13.39 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 118.843 1.321 . . . . 0.0 113.7 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.03 158.07 45.07 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 127.488 2.315 . . . . 0.0 109.915 164.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 48.7 mt -71.95 114.97 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 174.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.54 -50.87 2.64 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 124.333 0.968 . . . . 0.0 113.827 -172.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 65.6 ttt180 -151.3 145.91 25.66 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.801 1.24 . . . . 0.0 112.004 -173.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.8 t -138.47 115.84 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 125.722 1.609 . . . . 0.0 109.33 -178.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -106.43 101.51 10.97 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.31 1.044 . . . . 0.0 110.483 178.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -67.56 -16.4 64.17 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.022 -1.049 . . . . 0.0 112.305 176.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 44.8 mtm105 -63.82 -20.01 65.46 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.731 2.012 . . . . 0.0 114.061 170.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.0 t -141.97 -13.13 0.84 Allowed 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 114.7 1.371 . . . . 0.0 114.7 -175.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.67 15.7 81.36 Favored Glycine 0 CA--C 1.536 1.344 0 O-C-N 120.643 -1.285 . . . . 0.0 113.58 -174.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.1 t -82.5 132.49 31.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 CA-C-N 118.653 1.226 . . . . 0.0 111.083 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 94.7 mt -120.52 109.17 24.78 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 C-N-CA 125.93 1.692 . . . . 0.0 108.444 174.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.1 m -96.28 120.75 37.14 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 124.589 1.155 . . . . 0.0 110.674 178.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.3 mt -91.11 151.08 21.14 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.575 0.75 . . . . 0.0 111.087 170.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -133.16 153.83 38.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 125.22 1.408 . . . . 0.0 111.156 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.1 mp0 -65.27 125.11 24.02 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.92 0.888 . . . . 0.0 109.77 173.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? . . . . . 0 N--CA 1.473 0.68 0 N-CA-C 114.452 1.279 . . . . 0.0 114.452 -158.621 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 44.8 mtm . . . . . 0 N--CA 1.478 0.95 0 N-CA-C 115.699 1.74 . . . . 0.0 115.699 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -97.02 179.73 4.83 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.75 1.62 . . . . 0.0 112.028 175.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -118.0 150.92 38.47 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.822 1.249 . . . . 0.0 112.031 161.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 74.4 t -100.6 144.88 12.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 124.902 1.281 . . . . 0.0 110.082 171.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 14.4 p -132.36 143.23 40.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 125.307 1.443 . . . . 0.0 111.634 168.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 pp -148.79 160.93 42.74 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.45 1.5 . . . . 0.0 112.588 -179.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 19.5 m -117.51 130.24 56.31 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.212 1.405 . . . . 0.0 110.521 175.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -78.41 164.14 25.04 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 126.076 1.75 . . . . 0.0 112.331 178.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.18 -25.06 67.56 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 175.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -79.03 -2.22 39.27 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.843 1.257 . . . . 0.0 113.729 173.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.32 -4.52 85.48 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 125.587 1.565 . . . . 0.0 115.6 -179.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.65 153.7 44.49 Favored Glycine 0 CA--C 1.535 1.296 0 CA-C-N 118.938 1.369 . . . . 0.0 112.151 172.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 92.3 mtm-85 -111.36 152.46 27.26 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.55 1.14 . . . . 0.0 113.037 -179.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 85.7 t -135.72 141.0 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 126.065 1.746 . . . . 0.0 109.867 -177.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -125.07 145.97 49.67 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.364 1.466 . . . . 0.0 111.709 176.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 50.5 mt -130.32 110.69 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 125.209 1.404 . . . . 0.0 108.444 177.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.16 154.89 33.92 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 123.978 0.799 . . . . 0.0 114.059 -179.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 52.28 54.46 10.69 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.7 2.0 . . . . 0.0 113.671 171.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 28.4 m -79.14 135.84 24.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 C-N-CA 124.257 1.023 . . . . 0.0 112.199 178.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 91.3 mt -82.02 -35.0 29.31 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.998 1.319 . . . . 0.0 112.082 170.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -158.97 142.11 14.62 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 118.465 0.575 . . . . 0.0 112.264 -169.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 3.5 t -140.38 135.43 35.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 125.209 1.403 . . . . 0.0 109.011 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.44 142.56 16.96 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 -178.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.663 0 C-N-CA 125.735 1.614 . . . . 0.0 110.07 173.708 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.732 0 CA-C-O 120.456 0.17 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 68.1 t -109.12 139.61 31.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 C-N-CA 123.542 0.737 . . . . 0.0 111.412 166.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 65.1 mtp180 -113.16 148.67 34.92 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.852 1.661 . . . . 0.0 111.454 168.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 3.0 t -135.69 140.36 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 126.36 1.864 . . . . 0.0 109.66 -177.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 39.6 m -122.49 132.97 54.59 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.918 1.287 . . . . 0.0 110.231 174.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 33.5 p -103.34 165.44 11.03 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.248 1.419 . . . . 0.0 112.58 178.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -58.93 -18.02 29.74 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 176.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -79.31 -1.53 37.22 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.188 1.395 . . . . 0.0 113.423 174.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 26.0 t0 60.9 17.21 7.6 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.953 1.701 . . . . 0.0 113.915 -165.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -80.58 136.33 36.23 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.716 1.206 . . . . 0.0 110.257 166.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -112.34 154.01 26.36 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.865 0.866 . . . . 0.0 113.102 174.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -130.77 150.92 51.72 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.243 1.817 . . . . 0.0 110.075 176.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.24 139.79 28.87 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.542 0.737 . . . . 0.0 112.435 -175.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -141.11 96.51 7.2 Favored Pre-proline 0 CA--C 1.543 0.702 0 C-N-CA 124.859 1.263 . . . . 0.0 111.981 -168.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -60.56 144.2 99.51 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 123.749 2.966 . . . . 0.0 113.51 174.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.34 1.75 90.48 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 125.076 1.322 . . . . 0.0 115.151 177.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 44.2 mt -100.01 161.47 13.59 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 118.789 1.294 . . . . 0.0 113.591 176.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -144.15 160.19 41.36 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 127.857 2.463 . . . . 0.0 109.578 164.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 49.4 mt -70.92 123.67 25.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 O-C-N 120.852 -1.155 . . . . 0.0 109.534 176.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.6 -34.56 4.95 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 125.032 1.301 . . . . 0.0 114.194 -178.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 74.3 ttt-85 -152.81 148.07 26.77 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 118.52 1.16 . . . . 0.0 112.551 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 45.4 t -133.71 128.84 54.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 126.746 2.018 . . . . 0.0 108.56 172.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -135.78 105.24 6.05 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 125.045 1.338 . . . . 0.0 111.25 -172.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -81.5 -16.03 53.1 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.455 1.102 . . . . 0.0 113.533 -178.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -73.87 -24.66 59.77 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.347 1.059 . . . . 0.0 112.384 177.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 49.5 m -121.61 -10.52 8.79 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.445 1.498 . . . . 0.0 114.798 176.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.32 43.09 32.76 Favored Glycine 0 CA--C 1.536 1.376 0 C-N-CA 124.448 1.023 . . . . 0.0 113.342 -179.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 86.5 t -125.56 137.28 58.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.866 1.266 . . . . 0.0 111.314 -171.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 81.5 mt -119.34 136.87 55.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 126.714 2.006 . . . . 0.0 108.436 169.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 29.9 t -128.37 133.73 48.69 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.186 0.994 . . . . 0.0 111.574 -177.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 24.6 mt -102.1 150.99 22.69 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.761 1.224 . . . . 0.0 112.257 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -132.43 158.13 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 126.519 1.927 . . . . 0.0 110.242 178.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -72.32 130.8 41.62 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.504 -0.747 . . . . 0.0 110.914 175.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? . . . . . 0 N--CA 1.477 0.885 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 -170.216 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.937 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -134.4 143.22 47.48 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.671 1.588 . . . . 0.0 111.872 167.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.8 t -99.66 142.6 14.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 125.89 1.676 . . . . 0.0 110.134 173.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.5 p -139.01 140.28 38.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.939 1.295 . . . . 0.0 111.578 173.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 pp . . . . . 0 N--CA 1.47 0.568 0 C-N-CA 125.186 1.395 . . . . 0.0 112.481 -178.901 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 56.0 t . . . . . 0 N--CA 1.48 1.055 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -128.61 137.54 51.74 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.469 1.508 . . . . 0.0 111.514 178.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 51.4 mt -132.57 102.56 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 125.946 1.699 . . . . 0.0 108.287 -178.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.91 177.15 54.44 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 123.786 0.707 . . . . 0.0 112.384 168.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 59.07 29.0 18.45 Favored 'General case' 0 CA--C 1.553 1.069 0 N-CA-C 114.325 1.232 . . . . 0.0 114.325 172.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.3 p -79.37 133.88 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 125.686 1.595 . . . . 0.0 112.782 -177.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 79.6 mt -97.96 -32.37 11.7 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.429 1.492 . . . . 0.0 113.065 173.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -155.83 146.77 22.27 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 119.161 0.892 . . . . 0.0 112.654 -175.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.5 t -136.98 139.64 44.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 126.101 1.76 . . . . 0.0 109.659 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -140.16 135.47 32.49 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.328 1.051 . . . . 0.0 112.6 179.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.659 0 C-N-CA 124.937 1.295 . . . . 0.0 109.142 162.847 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.606 0 N-CA-C 111.465 0.172 . . . . 0.0 111.465 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.4 t -98.81 139.06 21.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 O-C-N 122.141 -0.35 . . . . 0.0 110.66 164.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 67.5 mtt85 -123.25 150.78 43.04 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.91 1.684 . . . . 0.0 111.242 176.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.9 t -138.51 135.35 43.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 125.149 1.379 . . . . 0.0 110.012 -172.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 91.4 m -123.53 125.75 45.45 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.552 1.141 . . . . 0.0 111.162 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 43.0 p -98.53 165.79 11.66 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.483 1.113 . . . . 0.0 113.051 -178.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 pp -65.82 -14.22 61.0 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 114.274 1.212 . . . . 0.0 114.274 173.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -78.73 0.73 25.61 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.381 1.072 . . . . 0.0 113.021 173.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 62.07 11.18 4.13 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 127.057 2.143 . . . . 0.0 114.132 -167.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -79.87 141.48 36.1 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.518 1.127 . . . . 0.0 110.918 170.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -122.46 148.94 44.54 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.432 1.493 . . . . 0.0 112.246 -177.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 67.9 m-70 -130.11 152.73 49.24 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 126.049 1.739 . . . . 0.0 110.958 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -148.62 138.47 22.2 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.27 1.028 . . . . 0.0 112.292 -176.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -143.26 97.23 5.68 Favored Pre-proline 0 CA--C 1.546 0.82 0 C-N-CA 125.22 1.408 . . . . 0.0 111.443 -170.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -61.43 148.32 93.27 Favored 'Trans proline' 0 CA--C 1.534 0.518 0 C-N-CA 123.773 2.982 . . . . 0.0 114.201 175.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.66 3.7 90.25 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 124.968 1.27 . . . . 0.0 115.121 176.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 48.6 mt -100.97 162.97 12.52 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 118.716 1.258 . . . . 0.0 113.186 177.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.75 159.64 41.62 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 127.798 2.439 . . . . 0.0 109.835 162.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 82.6 mt -73.08 125.07 31.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 O-C-N 120.914 -1.116 . . . . 0.0 109.146 176.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.59 -36.72 4.21 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 125.176 1.369 . . . . 0.0 114.869 -173.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 29.9 mtm180 -147.78 158.41 44.01 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 118.758 1.279 . . . . 0.0 113.098 177.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.5 t -131.58 120.57 45.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 125.377 1.471 . . . . 0.0 108.162 159.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -123.09 84.91 2.34 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 122.471 1.129 . . . . 0.0 111.052 -165.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.407 ' H ' HD22 ' A' ' 53' ' ' LEU . 2.0 mm? -70.54 -13.62 62.18 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.744 1.617 . . . . 0.0 112.848 -171.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.6 mtp-105 -62.24 -25.17 67.67 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.109 1.764 . . . . 0.0 112.825 170.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 89.4 p -138.14 -8.85 1.54 Allowed 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -176.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.81 32.31 53.96 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 124.2 0.905 . . . . 0.0 113.543 -177.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.7 t -107.44 139.27 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.672 1.189 . . . . 0.0 111.337 -178.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 94.1 mt -118.65 113.62 42.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 126.354 1.861 . . . . 0.0 107.834 174.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.4 m -96.74 135.82 38.15 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.505 0.722 . . . . 0.0 110.56 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.2 mp -108.47 149.49 28.73 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.86 1.664 . . . . 0.0 110.545 174.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -136.54 161.81 36.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 126.743 2.017 . . . . 0.0 111.175 -176.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -70.26 132.99 46.57 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.23 -0.918 . . . . 0.0 111.274 174.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.542 0.641 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 -174.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 4.3 mpp? . . . . . 0 N--CA 1.473 0.71 0 CA-C-O 121.671 0.748 . . . . 0.0 112.388 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.83 175.21 5.21 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.258 1.423 . . . . 0.0 114.244 -175.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -130.48 127.37 39.06 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.497 1.919 . . . . 0.0 111.314 175.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 27.3 t -99.39 145.62 10.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 125.508 1.523 . . . . 0.0 110.373 -176.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.8 p -140.21 143.51 29.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.232 1.013 . . . . 0.0 112.208 175.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 pp -150.91 157.53 43.02 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.761 1.625 . . . . 0.0 112.668 -178.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 18.2 m -112.4 132.66 54.91 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.658 1.183 . . . . 0.0 110.873 177.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 35.3 mtmt -80.07 163.03 24.48 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 126.389 1.876 . . . . 0.0 112.748 177.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.5 -25.45 68.0 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 174.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 41.3 p30 -80.03 -1.34 39.36 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.389 1.076 . . . . 0.0 113.824 175.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.21 -7.42 82.11 Favored Glycine 0 CA--C 1.541 1.7 0 C-N-CA 125.927 1.727 . . . . 0.0 115.572 179.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.65 171.67 54.21 Favored Glycine 0 CA--C 1.534 1.248 0 CA-C-N 118.677 1.239 . . . . 0.0 113.076 171.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -128.94 153.98 47.0 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.814 1.245 . . . . 0.0 113.015 -178.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 97.5 t -131.6 141.57 45.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 126.384 1.874 . . . . 0.0 109.41 -178.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -131.05 142.66 50.32 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.305 1.442 . . . . 0.0 111.537 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 25.6 mt -134.9 106.58 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.856 1.262 . . . . 0.0 109.558 -178.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.17 175.81 51.49 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 123.688 0.661 . . . . 0.0 113.483 173.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 58.28 32.67 22.34 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.229 1.412 . . . . 0.0 114.708 168.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 35.4 m -76.98 135.81 25.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 O-C-N 121.004 -1.06 . . . . 0.0 113.268 -176.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 74.6 mt -82.16 -37.22 26.49 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.231 1.013 . . . . 0.0 111.805 169.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -159.48 148.51 18.07 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.575 0.75 . . . . 0.0 111.752 -176.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 40.0 t -130.48 138.1 54.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 127.293 2.237 . . . . 0.0 108.698 172.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -136.81 133.23 35.7 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.547 1.539 . . . . 0.0 111.491 -178.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.715 0 C-N-CA 124.018 0.927 . . . . 0.0 110.801 162.814 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.664 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 75.6 t -117.92 144.84 24.86 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 124.861 1.264 . . . . 0.0 110.948 164.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -130.21 147.63 51.96 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 127.35 2.26 . . . . 0.0 110.444 178.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -154.05 145.79 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 123.733 0.813 . . . . 0.0 112.274 -173.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 33.3 m -132.15 134.88 45.93 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.754 1.222 . . . . 0.0 112.51 -175.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 29.8 p -91.5 164.19 13.89 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 125.279 1.432 . . . . 0.0 113.851 179.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -67.27 -15.51 63.73 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 173.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -94.85 20.74 8.39 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.362 1.465 . . . . 0.0 112.522 170.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 62.38 18.62 10.45 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 127.877 2.471 . . . . 0.0 115.472 173.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -81.76 126.49 31.88 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.024 -1.048 . . . . 0.0 110.683 173.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -98.84 142.28 30.57 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.734 1.214 . . . . 0.0 111.398 176.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -134.87 151.38 50.85 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.033 1.333 . . . . 0.0 110.9 177.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -147.43 141.72 26.26 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.389 1.075 . . . . 0.0 112.336 -178.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -142.23 95.9 6.6 Favored Pre-proline 0 CA--C 1.548 0.872 0 C-N-CA 125.302 1.441 . . . . 0.0 111.137 -170.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -64.29 149.04 90.95 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 123.271 2.648 . . . . 0.0 113.069 174.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.6 0.36 89.89 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 125.915 1.721 . . . . 0.0 115.023 178.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 37.0 mt -101.49 164.49 11.74 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.188 1.395 . . . . 0.0 114.112 179.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.76 160.56 40.52 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 128.625 2.77 . . . . 0.0 110.135 164.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 46.1 mt -73.62 120.19 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 O-C-N 121.043 -1.036 . . . . 0.0 109.355 175.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.73 -43.61 2.86 Favored Glycine 0 N--CA 1.475 1.253 0 C-N-CA 124.759 1.171 . . . . 0.0 114.464 -173.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 74.9 ttt-85 -149.42 143.15 25.53 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.704 1.202 . . . . 0.0 111.178 -177.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 41.2 t -131.59 126.15 57.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.368 1.467 . . . . 0.0 108.912 177.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -125.94 106.22 9.48 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.54 1.536 . . . . 0.0 110.29 -167.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -81.74 -11.19 59.13 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.999 0.92 . . . . 0.0 112.743 -178.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 44.1 mtm105 -80.65 -43.43 20.45 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.041 1.336 . . . . 0.0 111.008 176.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 10.8 t -99.72 -18.96 17.0 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.276 1.43 . . . . 0.0 114.136 179.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.08 17.1 72.95 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 124.833 1.206 . . . . 0.0 114.268 -175.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 74.7 t -87.6 140.42 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 125.066 1.346 . . . . 0.0 112.396 -175.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 88.2 mt -120.65 105.84 17.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 126.626 1.97 . . . . 0.0 108.026 168.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 15.5 m -93.02 119.65 32.5 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.262 1.025 . . . . 0.0 110.37 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 31.2 mt -91.57 147.28 23.13 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 123.901 0.88 . . . . 0.0 111.011 171.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -135.44 161.35 39.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 126.12 1.768 . . . . 0.0 110.228 -179.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -70.64 138.23 50.56 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.339 -0.85 . . . . 0.0 111.79 175.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? . . . . . 0 N--CA 1.482 1.139 0 O-C-N 121.584 -0.697 . . . . 0.0 112.342 162.61 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.652 0 CA-C-O 121.633 0.73 . . . . 0.0 112.618 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -131.25 135.06 47.02 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 125.588 1.555 . . . . 0.0 110.809 168.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 85.5 t -99.91 144.12 12.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 125.413 1.485 . . . . 0.0 110.117 -174.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -138.21 141.46 37.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 125.144 1.378 . . . . 0.0 111.654 173.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 pp . . . . . 0 CA--C 1.538 0.505 0 C-N-CA 126.178 1.791 . . . . 0.0 111.111 179.46 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 67.3 t . . . . . 0 N--CA 1.474 0.74 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.2 mp0 -131.37 146.46 52.29 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.394 1.478 . . . . 0.0 111.655 177.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 25.6 mt -133.63 118.43 30.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.998 1.319 . . . . 0.0 108.872 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.43 155.71 27.35 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 123.706 0.669 . . . . 0.0 114.264 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 53.19 47.77 23.67 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.446 1.899 . . . . 0.0 114.623 168.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 m -75.34 138.15 21.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 O-C-N 121.484 -0.76 . . . . 0.0 111.938 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 80.2 mt -85.07 -33.59 22.41 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.465 1.106 . . . . 0.0 112.009 171.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 69.9 tt0 -154.44 145.93 23.12 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 118.72 0.691 . . . . 0.0 112.036 -172.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.5 t -136.48 136.52 48.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 126.166 1.786 . . . . 0.0 109.425 174.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -131.15 130.31 42.9 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.945 1.698 . . . . 0.0 111.278 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.573 0 C-N-CA 124.024 0.929 . . . . 0.0 109.099 162.998 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.569 0 CA-C-O 121.094 0.473 . . . . 0.0 111.552 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 90.4 t -109.23 137.92 39.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 123.035 0.534 . . . . 0.0 110.377 159.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 74.8 mtt85 -123.96 149.56 45.81 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.959 1.704 . . . . 0.0 111.068 174.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 37.3 t -138.36 145.51 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 125.633 1.573 . . . . 0.0 111.384 -172.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 68.7 m -124.8 132.86 53.3 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 125.049 1.339 . . . . 0.0 110.741 171.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 38.5 p -98.35 167.91 10.55 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.337 1.455 . . . . 0.0 112.99 178.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -63.2 -15.39 56.83 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 174.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -82.47 -0.61 47.17 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.835 1.254 . . . . 0.0 113.628 174.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 61.74 13.13 5.13 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 126.273 1.829 . . . . 0.0 113.781 -164.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -76.8 147.39 37.24 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.142 0.977 . . . . 0.0 110.311 168.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -129.38 151.49 49.96 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.02 1.328 . . . . 0.0 112.71 -173.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 -134.4 154.16 51.52 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.866 1.667 . . . . 0.0 111.202 -178.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -148.91 139.24 22.41 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.421 1.088 . . . . 0.0 112.179 -178.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -142.49 95.02 6.62 Favored Pre-proline 0 CA--C 1.544 0.742 0 C-N-CA 125.369 1.467 . . . . 0.0 111.488 -172.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -61.94 146.82 96.17 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 123.703 2.935 . . . . 0.0 113.494 175.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.12 1.32 89.92 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 124.978 1.275 . . . . 0.0 114.867 177.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.2 mt -98.25 160.95 13.96 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 118.43 1.115 . . . . 0.0 112.887 176.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.18 159.95 41.22 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 127.55 2.34 . . . . 0.0 110.802 164.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 32.2 mt -74.07 120.45 23.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 177.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -100.74 -38.55 3.39 Favored Glycine 0 N--CA 1.475 1.244 0 C-N-CA 124.417 1.008 . . . . 0.0 114.389 -175.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 70.1 ttt-85 -153.43 146.85 24.89 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.254 1.422 . . . . 0.0 111.056 -176.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.3 t -130.63 119.91 46.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 125.201 1.401 . . . . 0.0 109.166 171.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -116.47 96.34 5.47 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.414 1.485 . . . . 0.0 110.07 -175.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -75.88 -4.22 39.64 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.036 0.934 . . . . 0.0 113.294 -170.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 72.0 mtt85 -61.91 -28.37 69.48 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.221 1.008 . . . . 0.0 112.724 171.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.0 t -138.56 10.09 2.69 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.594 1.558 . . . . 0.0 113.041 175.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.29 31.2 79.76 Favored Glycine 0 CA--C 1.537 1.462 0 O-C-N 120.336 -1.477 . . . . 0.0 113.876 -179.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.1 t -84.93 124.68 40.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-N 118.917 1.359 . . . . 0.0 111.338 -177.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 91.2 mt -104.43 110.09 29.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 126.163 1.785 . . . . 0.0 108.362 172.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 51.0 m -97.17 121.93 39.62 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.083 0.953 . . . . 0.0 111.298 178.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.3 mt -95.96 150.65 20.22 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.461 1.104 . . . . 0.0 112.005 174.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -135.98 160.66 38.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 126.627 1.971 . . . . 0.0 110.46 -178.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -69.42 131.84 45.41 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.315 -0.865 . . . . 0.0 110.643 172.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 . . . . . 0 CA--C 1.549 0.919 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 -170.247 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 41.2 mtm . . . . . 0 N--CA 1.471 0.593 0 N-CA-C 113.885 1.068 . . . . 0.0 113.885 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -90.37 177.52 6.37 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.075 1.35 . . . . 0.0 112.328 176.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -126.31 135.5 51.59 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.219 1.408 . . . . 0.0 110.808 160.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 42.2 t -99.66 142.47 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.349 1.06 . . . . 0.0 110.123 -178.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 14.7 p -137.1 143.65 34.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 125.467 1.507 . . . . 0.0 111.523 174.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 pp -152.65 157.06 40.4 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.475 1.51 . . . . 0.0 112.634 -178.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 18.8 m -111.52 130.76 55.63 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.116 1.366 . . . . 0.0 109.789 169.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -82.52 162.14 22.11 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.734 1.613 . . . . 0.0 112.753 179.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.67 -24.39 66.71 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 175.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -75.16 -4.6 39.72 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 125.318 1.447 . . . . 0.0 113.951 173.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.34 -5.22 81.56 Favored Glycine 0 CA--C 1.542 1.729 0 C-N-CA 125.307 1.432 . . . . 0.0 115.152 -176.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.43 167.36 54.81 Favored Glycine 0 CA--C 1.533 1.167 0 CA-C-N 118.273 1.036 . . . . 0.0 112.6 171.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -127.7 152.48 47.66 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.543 1.137 . . . . 0.0 113.162 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 64.6 t -135.22 139.61 46.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.699 1.6 . . . . 0.0 109.812 -177.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -128.52 147.18 50.68 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.572 1.549 . . . . 0.0 111.037 176.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 34.7 mt -135.33 120.83 29.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 125.21 1.404 . . . . 0.0 108.993 -177.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -94.06 160.91 24.23 Favored Glycine 0 CA--C 1.542 1.777 0 C-N-CA 124.87 1.224 . . . . 0.0 113.669 177.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 50.83 45.98 26.66 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.723 1.609 . . . . 0.0 112.797 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 74.9 t -74.14 118.5 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 124.301 1.04 . . . . 0.0 110.067 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 21.8 tp -97.23 -23.65 16.07 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.095 1.358 . . . . 0.0 112.354 -176.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -156.77 147.7 21.87 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.291 0.95 . . . . 0.0 112.58 175.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 25.8 t -135.48 142.1 40.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 126.109 1.764 . . . . 0.0 110.244 174.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -137.13 145.5 43.91 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 125.273 1.429 . . . . 0.0 111.33 176.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.497 0 C-N-CA 124.981 1.312 . . . . 0.0 111.011 177.094 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.589 0 CA-C-O 121.114 0.483 . . . . 0.0 112.214 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 94.2 t -102.55 137.98 28.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 123.854 0.861 . . . . 0.0 111.045 177.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -118.62 147.36 43.83 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.448 1.899 . . . . 0.0 110.312 175.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 22.1 t -136.55 140.81 42.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.662 1.585 . . . . 0.0 110.371 -178.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 46.3 m -123.75 127.55 48.29 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.935 1.294 . . . . 0.0 110.511 172.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 49.3 p -87.92 167.01 14.11 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.551 1.14 . . . . 0.0 112.847 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 60.5 tp -47.44 -35.14 8.09 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.613 1.965 . . . . 0.0 113.488 165.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -82.75 5.21 22.15 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.087 1.755 . . . . 0.0 113.589 -176.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 60.9 12.42 3.84 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.636 1.975 . . . . 0.0 114.333 -171.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -74.24 133.83 42.67 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 120.708 -1.245 . . . . 0.0 110.208 168.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -109.72 146.92 34.09 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.855 1.262 . . . . 0.0 112.37 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -134.76 152.03 51.43 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.827 1.651 . . . . 0.0 111.19 177.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.77 141.29 29.09 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.552 1.141 . . . . 0.0 111.79 -179.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -139.89 88.02 12.3 Favored Pre-proline 0 CA--C 1.543 0.688 0 C-N-CA 125.36 1.464 . . . . 0.0 110.776 -170.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -68.27 145.88 67.53 Favored 'Trans proline' 0 CA--C 1.537 0.668 0 C-N-CA 122.953 2.435 . . . . 0.0 111.785 174.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.53 4.4 73.44 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 125.569 1.557 . . . . 0.0 114.666 -175.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 50.7 mt -114.51 163.38 15.45 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.154 1.381 . . . . 0.0 113.362 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.37 160.34 40.34 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 127.293 2.237 . . . . 0.0 109.875 164.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 33.9 mt -71.09 120.04 18.41 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 O-C-N 121.186 -0.946 . . . . 0.0 108.775 173.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -94.74 -45.42 3.16 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 123.966 0.793 . . . . 0.0 113.366 -178.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 41.6 ttp85 -150.03 147.15 27.48 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.58 1.152 . . . . 0.0 111.72 -173.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 24.4 t -129.32 130.77 67.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 125.393 1.477 . . . . 0.0 108.503 171.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -133.34 100.98 5.0 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.027 1.331 . . . . 0.0 110.375 -173.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -81.72 -8.97 59.75 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.423 1.489 . . . . 0.0 113.233 -168.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 25.6 mtm180 -68.89 -23.46 64.2 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.039 1.336 . . . . 0.0 112.036 171.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 44.9 m -128.61 -0.4 5.51 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.24 1.816 . . . . 0.0 113.83 179.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.86 24.73 73.01 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 124.697 1.141 . . . . 0.0 114.516 -176.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.7 t -91.59 135.17 27.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-N 118.865 1.333 . . . . 0.0 111.596 -173.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 89.5 mt -113.4 121.73 66.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 125.935 1.694 . . . . 0.0 107.31 165.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 34.4 t -114.24 123.28 49.17 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 124.663 1.185 . . . . 0.0 111.25 -177.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 23.3 mt -94.11 148.77 21.86 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.547 1.139 . . . . 0.0 112.215 178.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -130.22 158.72 42.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 125.958 1.703 . . . . 0.0 110.783 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -69.9 129.48 39.63 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.593 -0.692 . . . . 0.0 111.587 177.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? . . . . . 0 N--CA 1.477 0.897 0 N-CA-C 114.093 1.145 . . . . 0.0 114.093 -174.807 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.873 0 CA-C-O 121.171 0.51 . . . . 0.0 112.094 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -130.23 142.99 50.52 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.512 1.525 . . . . 0.0 111.547 166.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 32.6 t -99.96 141.67 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.532 1.133 . . . . 0.0 109.8 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.3 p -140.73 142.78 29.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 123.841 0.856 . . . . 0.0 112.518 178.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 pp . . . . . 0 N--CA 1.47 0.535 0 C-N-CA 125.079 1.351 . . . . 0.0 113.017 -172.965 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.4 t . . . . . 0 N--CA 1.476 0.855 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -140.79 128.39 21.47 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.212 1.405 . . . . 0.0 110.37 -174.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 83.1 mt -131.8 110.01 16.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 124.743 1.217 . . . . 0.0 110.102 -166.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.22 159.48 41.26 Favored Glycine 0 CA--C 1.534 1.242 0 C-N-CA 124.37 0.986 . . . . 0.0 115.0 -176.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 55.29 44.42 27.47 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.269 1.828 . . . . 0.0 114.167 169.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -71.54 133.16 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 124.146 0.978 . . . . 0.0 110.825 -178.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.1 mt -85.15 -41.42 15.69 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.975 0.91 . . . . 0.0 111.289 174.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -153.42 143.53 22.2 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.497 1.119 . . . . 0.0 111.067 178.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.6 p -134.44 137.75 50.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 126.383 1.873 . . . . 0.0 109.907 175.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 32.6 mtp-105 -135.22 137.67 42.85 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.476 1.51 . . . . 0.0 111.452 -173.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.628 0 C-N-CA 125.054 1.342 . . . . 0.0 108.285 166.295 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.518 0 CA-C-O 120.695 0.284 . . . . 0.0 111.508 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.1 t -105.55 139.46 26.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 O-C-N 121.602 -0.686 . . . . 0.0 110.476 160.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -127.0 141.2 51.85 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 126.822 2.049 . . . . 0.0 109.966 -177.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.4 m -133.67 152.28 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 C-N-CA 124.834 1.254 . . . . 0.0 112.613 -174.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 47.9 m -134.23 134.84 42.47 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.974 1.709 . . . . 0.0 110.675 173.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.2 p -117.73 165.51 13.54 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 124.483 1.113 . . . . 0.0 112.886 -178.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -66.13 -9.45 31.59 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 114.914 1.449 . . . . 0.0 114.914 176.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -81.34 4.86 19.18 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.916 1.286 . . . . 0.0 113.084 171.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 61.87 16.01 7.63 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 127.266 2.226 . . . . 0.0 114.345 -170.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -78.39 150.52 33.13 Favored 'General case' 0 C--O 1.237 0.406 0 O-C-N 121.212 -0.93 . . . . 0.0 112.669 171.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -134.69 140.6 46.11 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.515 1.526 . . . . 0.0 110.6 172.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -143.16 155.64 44.6 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.543 1.537 . . . . 0.0 111.613 -178.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -139.84 145.97 38.77 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.129 1.372 . . . . 0.0 112.726 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -137.09 94.36 12.6 Favored Pre-proline 0 CA--C 1.545 0.759 0 C-N-CA 126.071 1.748 . . . . 0.0 110.096 -174.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.07 149.82 65.43 Favored 'Trans proline' 0 CA--C 1.534 0.48 0 C-N-CA 123.101 2.534 . . . . 0.0 113.512 -178.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.67 7.09 82.24 Favored Glycine 0 CA--C 1.531 1.061 0 C-N-CA 125.528 1.537 . . . . 0.0 114.905 -177.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 75.7 mt -113.44 161.08 17.76 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.971 1.309 . . . . 0.0 113.8 -177.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.1 160.86 39.37 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 127.793 2.437 . . . . 0.0 109.509 166.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 42.3 mt -73.82 121.51 24.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 O-C-N 120.977 -1.077 . . . . 0.0 109.183 178.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -95.63 -49.9 2.07 Favored Glycine 0 CA--C 1.528 0.886 0 C-N-CA 124.628 1.108 . . . . 0.0 114.054 -173.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 30.8 mtm105 -148.9 162.97 38.79 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.665 1.186 . . . . 0.0 111.892 178.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.4 t -130.59 125.27 58.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 123.654 0.782 . . . . 0.0 110.531 163.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -94.09 90.94 6.6 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.937 1.695 . . . . 0.0 110.005 170.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -68.67 -10.61 57.29 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 120.882 -1.136 . . . . 0.0 112.226 174.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -60.43 -29.0 68.72 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.522 1.929 . . . . 0.0 113.138 167.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 90.5 p -139.88 -7.67 1.24 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.11 1.364 . . . . 0.0 114.164 -171.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.98 16.52 78.78 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 124.997 1.284 . . . . 0.0 114.854 -177.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 97.9 t -88.92 121.88 39.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 CA-C-N 119.561 1.68 . . . . 0.0 111.81 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 93.6 mt -97.26 114.17 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 126.008 1.723 . . . . 0.0 107.768 168.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.9 t -100.71 122.58 43.59 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.551 1.14 . . . . 0.0 111.28 -176.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.0 mt -93.32 151.89 19.5 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.428 1.091 . . . . 0.0 112.759 175.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -136.91 162.11 34.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 126.489 1.916 . . . . 0.0 110.923 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 54.8 mp0 -68.75 133.17 47.99 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.462 -0.774 . . . . 0.0 111.656 178.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? . . . . . 0 N--CA 1.477 0.876 0 N-CA-C 114.659 1.355 . . . . 0.0 114.659 -173.582 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 4.2 mpp? . . . . . 0 CA--C 1.552 1.035 0 CA-C-O 122.124 0.964 . . . . 0.0 113.388 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.03 -176.8 4.62 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.942 1.697 . . . . 0.0 110.832 175.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -125.56 142.43 51.51 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.66 0.784 . . . . 0.0 112.869 166.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 25.4 t -100.45 142.76 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.846 1.658 . . . . 0.0 110.129 176.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 14.6 p -134.05 138.62 49.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 125.069 1.348 . . . . 0.0 111.76 175.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 pp -150.17 159.37 44.47 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.241 1.416 . . . . 0.0 112.682 -174.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 13.4 m -109.22 132.18 54.37 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.165 1.386 . . . . 0.0 110.835 175.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -80.97 163.16 23.51 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.583 1.553 . . . . 0.0 112.983 178.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.88 -21.94 65.13 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 123.768 0.827 . . . . 0.0 112.827 166.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -69.27 -11.49 60.85 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.658 1.583 . . . . 0.0 113.434 171.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.6 -10.64 49.93 Favored Glycine 0 CA--C 1.54 1.655 0 C-N-CA 125.573 1.558 . . . . 0.0 115.008 -172.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.44 170.64 54.91 Favored Glycine 0 CA--C 1.532 1.14 0 CA-C-N 118.325 1.063 . . . . 0.0 112.805 170.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -122.56 153.25 39.49 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.95 1.3 . . . . 0.0 113.258 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 88.2 t -130.93 136.63 57.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 126.342 1.857 . . . . 0.0 110.009 -177.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -116.8 142.69 46.59 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.173 1.389 . . . . 0.0 110.73 170.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 69.7 mt -128.42 109.39 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 125.622 1.569 . . . . 0.0 108.201 -176.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.2 165.17 41.01 Favored Glycine 0 CA--C 1.538 1.518 0 C-N-CA 124.34 0.972 . . . . 0.0 114.345 -178.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 53.4 39.38 29.82 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.252 1.821 . . . . 0.0 114.092 174.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 61.7 t -70.97 126.1 30.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 125.227 1.411 . . . . 0.0 110.35 178.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 5.0 tt -105.65 -23.9 12.66 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.321 1.848 . . . . 0.0 112.719 -176.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -153.99 149.05 26.82 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.07 1.348 . . . . 0.0 110.79 167.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 11.5 p -140.67 145.91 24.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.807 1.243 . . . . 0.0 110.657 173.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 35.0 mtt85 -143.71 123.38 13.32 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.378 1.471 . . . . 0.0 111.993 -169.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.725 0 C-N-CA 124.138 0.975 . . . . 0.0 108.527 162.083 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.606 0 CA-C-O 120.851 0.358 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 64.9 t -97.94 133.15 41.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 O-C-N 121.864 -0.522 . . . . 0.0 110.016 154.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.75 145.8 39.9 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.991 1.716 . . . . 0.0 109.307 168.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 13.5 p -145.2 142.91 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.134 0.973 . . . . 0.0 111.473 -172.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 37.3 m -124.68 138.14 54.31 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.859 2.064 . . . . 0.0 110.763 -172.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 40.4 p -108.85 164.17 12.63 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.531 1.132 . . . . 0.0 111.614 172.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -64.88 -11.41 37.46 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 175.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -77.24 1.11 19.52 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.637 1.175 . . . . 0.0 113.152 172.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.2 t0 60.83 18.52 8.76 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 127.03 2.132 . . . . 0.0 113.846 -168.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 60.1 tt0 -86.6 141.8 28.73 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.251 1.42 . . . . 0.0 110.655 170.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -127.37 152.13 47.89 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.772 1.229 . . . . 0.0 112.857 177.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 67.6 m-70 -132.6 158.38 42.37 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.825 1.65 . . . . 0.0 111.113 178.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -140.73 141.13 34.93 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.471 1.109 . . . . 0.0 112.318 -176.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -140.34 93.05 9.09 Favored Pre-proline 0 CA--C 1.543 0.699 0 C-N-CA 125.635 1.574 . . . . 0.0 111.233 -174.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -59.84 146.64 95.17 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 124.044 3.163 . . . . 0.0 114.271 178.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.58 6.39 88.2 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.551 1.072 . . . . 0.0 115.211 178.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 48.7 mt -102.83 162.32 13.02 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 118.764 1.282 . . . . 0.0 113.252 174.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.56 162.47 35.8 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 127.758 2.423 . . . . 0.0 110.022 164.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 33.1 mt -73.84 120.0 22.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 O-C-N 120.868 -1.145 . . . . 0.0 108.897 175.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.32 -34.0 5.75 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 124.092 0.853 . . . . 0.0 114.63 -177.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 27.5 ttp85 -157.73 147.06 19.83 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.989 1.316 . . . . 0.0 111.584 -173.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 7.7 t -126.59 131.59 71.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 124.354 1.061 . . . . 0.0 109.207 164.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -129.48 95.53 4.03 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 126.462 1.905 . . . . 0.0 110.081 -171.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -80.73 -15.48 56.37 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.818 1.247 . . . . 0.0 112.786 -166.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -67.4 -18.44 65.12 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.054 0.941 . . . . 0.0 112.614 170.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 49.5 m -127.89 -5.48 5.66 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.373 1.469 . . . . 0.0 114.609 176.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.83 31.81 73.26 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 124.522 1.058 . . . . 0.0 114.614 -175.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 94.1 t -103.39 137.25 32.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.562 1.145 . . . . 0.0 112.053 -173.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 13.1 mt -115.15 109.83 29.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 C-N-CA 126.302 1.841 . . . . 0.0 107.671 171.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 18.0 m -94.81 121.33 36.28 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.563 -0.711 . . . . 0.0 110.766 178.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 28.1 mt -88.1 152.8 21.75 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.768 0.827 . . . . 0.0 111.919 173.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -132.57 158.09 43.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 126.673 1.989 . . . . 0.0 111.037 178.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -70.26 127.13 31.73 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.204 1.002 . . . . 0.0 110.524 173.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? . . . . . 0 CA--C 1.546 0.817 0 N-CA-C 114.317 1.228 . . . . 0.0 114.317 -169.456 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.775 0 CA-C-O 120.541 0.21 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -105.46 143.8 33.12 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.802 0.841 . . . . 0.0 111.776 163.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.6 t -99.27 137.59 26.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 125.015 1.326 . . . . 0.0 109.045 171.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.9 p -132.63 141.67 44.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 125.078 1.351 . . . . 0.0 112.201 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 pp . . . . . 0 N--CA 1.47 0.545 0 C-N-CA 125.387 1.475 . . . . 0.0 112.365 -176.33 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.1 t . . . . . 0 N--CA 1.474 0.756 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -127.66 143.05 51.19 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.161 1.384 . . . . 0.0 111.628 179.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -129.09 102.67 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 126.095 1.758 . . . . 0.0 108.082 177.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.0 160.21 44.38 Favored Glycine 0 CA--C 1.533 1.219 0 C-N-CA 124.229 0.919 . . . . 0.0 114.25 179.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 52.56 47.52 24.52 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.524 1.53 . . . . 0.0 113.519 174.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.8 m -70.8 131.31 34.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 O-C-N 120.928 -1.107 . . . . 0.0 110.671 172.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.7 mt -77.18 -32.13 55.9 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.257 1.023 . . . . 0.0 111.278 167.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -157.71 149.71 22.2 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.181 1.393 . . . . 0.0 112.072 -178.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.1 p -138.55 138.58 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 126.514 1.926 . . . . 0.0 110.529 170.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.31 138.6 40.17 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.844 1.258 . . . . 0.0 111.476 -177.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.85 0 C-N-CA 125.261 1.424 . . . . 0.0 110.457 167.92 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.665 0 CA-C-O 121.004 0.43 . . . . 0.0 111.471 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 79.3 t -114.22 143.85 23.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 124.137 0.975 . . . . 0.0 111.285 167.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -130.19 143.99 51.1 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.344 1.458 . . . . 0.0 110.806 175.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.7 m -135.13 150.67 29.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 125.343 1.457 . . . . 0.0 111.236 -176.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 23.9 m -134.49 130.81 37.24 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.172 0.989 . . . . 0.0 110.121 173.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 21.0 p -97.09 168.77 10.25 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.553 1.141 . . . . 0.0 113.961 -172.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.9 tp -49.64 -30.89 9.7 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.064 2.146 . . . . 0.0 114.079 172.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -91.09 10.72 25.68 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.787 1.635 . . . . 0.0 113.666 -178.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 62.41 15.52 7.81 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.936 2.095 . . . . 0.0 114.772 -174.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -77.66 154.88 31.76 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.841 -1.162 . . . . 0.0 110.814 168.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -139.37 141.28 37.6 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.3 1.04 . . . . 0.0 111.334 -172.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 58.6 m-70 -137.04 156.37 48.51 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.058 1.343 . . . . 0.0 111.315 178.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.16 142.71 34.02 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.767 1.227 . . . . 0.0 111.533 -179.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -139.1 91.69 11.23 Favored Pre-proline 0 CA--C 1.544 0.747 0 C-N-CA 125.454 1.502 . . . . 0.0 111.084 -168.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -61.14 145.99 98.12 Favored 'Trans proline' 0 CA--C 1.535 0.526 0 C-N-CA 123.614 2.876 . . . . 0.0 113.525 175.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.01 2.28 88.4 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 125.03 1.3 . . . . 0.0 114.689 177.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 61.2 mt -107.75 161.48 14.85 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 118.705 1.252 . . . . 0.0 113.523 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.28 160.88 39.38 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 127.851 2.461 . . . . 0.0 109.723 165.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 30.6 mt -72.31 122.07 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 O-C-N 120.924 -1.11 . . . . 0.0 108.957 176.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.69 -37.1 3.55 Favored Glycine 0 N--CA 1.47 0.961 0 C-N-CA 124.078 0.847 . . . . 0.0 114.854 -175.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -152.81 144.6 23.58 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.261 1.024 . . . . 0.0 111.733 -172.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.5 t -136.22 119.21 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 125.649 1.58 . . . . 0.0 108.824 176.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -120.88 108.46 13.94 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.524 1.129 . . . . 0.0 110.773 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -82.3 -14.44 55.39 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.176 1.39 . . . . 0.0 112.953 -173.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 29.8 mtm180 -73.05 -41.87 63.7 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.57 1.148 . . . . 0.0 110.643 173.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.7 t -90.59 -30.39 17.24 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.492 1.517 . . . . 0.0 113.898 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.36 42.39 9.34 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.526 1.06 . . . . 0.0 112.794 -174.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 81.3 t -130.16 139.66 50.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 124.456 1.103 . . . . 0.0 111.431 -171.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 81.3 mt -123.2 117.47 51.67 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 C-N-CA 126.79 2.036 . . . . 0.0 108.51 177.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.8 m -102.83 129.06 49.39 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.936 0.895 . . . . 0.0 110.989 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.3 mt -90.76 151.53 21.17 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.646 1.178 . . . . 0.0 111.584 172.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -134.03 161.56 40.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 126.014 1.726 . . . . 0.0 110.777 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -64.42 126.0 26.41 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.72 0.808 . . . . 0.0 111.532 174.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? . . . . . 0 N--CA 1.479 0.996 0 O-C-N 121.275 -0.891 . . . . 0.0 112.959 177.052 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 4.8 mpp? . . . . . 0 N--CA 1.473 0.682 0 CA-C-O 121.767 0.794 . . . . 0.0 112.844 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.21 -178.36 3.88 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.038 1.335 . . . . 0.0 112.942 172.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -132.78 150.57 52.14 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.097 1.759 . . . . 0.0 111.251 166.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 9.5 t -107.02 144.26 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 C-N-CA 125.047 1.339 . . . . 0.0 110.761 176.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.9 p -139.53 144.37 28.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 125.096 1.358 . . . . 0.0 112.217 173.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 pp -153.74 164.25 38.63 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.235 1.814 . . . . 0.0 112.164 178.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 20.9 m -116.81 128.92 55.75 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.516 1.126 . . . . 0.0 110.471 170.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -74.45 165.21 25.58 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.553 1.141 . . . . 0.0 112.999 178.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.58 -20.94 63.85 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 123.838 0.855 . . . . 0.0 112.939 165.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -69.13 -10.85 59.66 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.686 1.594 . . . . 0.0 113.439 170.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.35 -9.88 52.4 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 125.673 1.606 . . . . 0.0 114.725 -172.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.76 142.82 23.87 Favored Glycine 0 CA--C 1.532 1.126 0 CA-C-N 118.653 1.227 . . . . 0.0 112.283 175.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 96.2 mtm-85 -86.91 151.98 22.83 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.36 1.064 . . . . 0.0 112.374 176.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 85.8 t -132.33 139.15 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 125.947 1.699 . . . . 0.0 109.429 177.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -134.06 142.93 47.75 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.266 1.426 . . . . 0.0 111.363 -178.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 37.5 mt -130.78 114.16 26.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 125.316 1.446 . . . . 0.0 109.154 178.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -86.39 158.44 31.26 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 123.772 0.701 . . . . 0.0 114.061 177.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 54.23 44.51 28.98 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 126.412 1.885 . . . . 0.0 114.446 171.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 11.8 p -75.09 138.47 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.393 1.077 . . . . 0.0 112.533 -177.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 76.4 mt -91.4 -37.76 13.0 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.255 1.022 . . . . 0.0 112.724 174.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -152.24 145.19 24.46 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.919 0.888 . . . . 0.0 112.53 -177.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 9.9 t -135.58 140.27 44.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 125.826 1.651 . . . . 0.0 109.883 172.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -135.28 136.49 41.68 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.644 1.577 . . . . 0.0 111.111 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.698 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 160.687 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.678 0 CA-C-O 120.793 0.33 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 71.2 t -107.11 138.52 32.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 123.225 0.61 . . . . 0.0 110.413 162.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -130.1 138.79 50.88 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 126.285 1.834 . . . . 0.0 109.593 -179.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -146.51 145.97 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 124.015 0.926 . . . . 0.0 112.113 -168.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 47.5 m -131.77 126.33 34.15 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.802 1.241 . . . . 0.0 112.932 -177.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 30.7 p -87.37 170.48 11.36 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 124.997 1.319 . . . . 0.0 113.65 178.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -62.02 -15.47 44.54 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 172.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -87.16 3.96 44.28 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.774 1.23 . . . . 0.0 113.162 174.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 62.32 12.96 5.6 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.783 2.033 . . . . 0.0 114.21 -168.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -73.0 127.36 32.33 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.231 -0.918 . . . . 0.0 110.473 171.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -99.72 149.14 23.63 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.962 1.305 . . . . 0.0 112.284 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -135.07 147.47 49.58 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 126.091 1.756 . . . . 0.0 110.734 178.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.11 139.23 28.75 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.239 1.015 . . . . 0.0 112.598 -178.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -139.77 90.4 11.05 Favored Pre-proline 0 CA--C 1.542 0.671 0 C-N-CA 125.312 1.445 . . . . 0.0 110.847 -173.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -66.05 145.12 78.42 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 123.375 2.717 . . . . 0.0 112.416 177.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.7 3.15 83.93 Favored Glycine 0 CA--C 1.539 1.549 0 C-N-CA 124.929 1.252 . . . . 0.0 114.8 -177.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 64.1 mt -109.53 162.3 14.52 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 118.852 1.326 . . . . 0.0 113.598 177.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.46 162.0 35.6 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 128.056 2.542 . . . . 0.0 109.737 162.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 58.1 mt -72.14 124.92 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 O-C-N 121.157 -0.964 . . . . 0.0 109.044 177.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -106.03 -34.34 3.24 Favored Glycine 0 CA--C 1.527 0.784 0 C-N-CA 124.736 1.16 . . . . 0.0 114.718 -172.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 34.6 ttp85 -155.21 148.31 24.72 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.016 1.408 . . . . 0.0 111.784 -177.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 8.8 t -130.82 127.74 61.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 123.412 0.685 . . . . 0.0 109.267 161.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -118.9 86.93 2.64 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.53 1.532 . . . . 0.0 110.06 -174.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -65.02 -20.7 66.63 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.045 1.338 . . . . 0.0 113.126 -169.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 55.7 mtm180 -61.99 -25.82 67.86 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.981 1.313 . . . . 0.0 113.224 172.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 8.1 t -127.41 -7.06 5.81 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.492 1.517 . . . . 0.0 113.791 -178.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.21 24.1 74.27 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 125.345 1.45 . . . . 0.0 114.634 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 84.1 t -98.46 126.31 51.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 CA-C-N 118.628 1.214 . . . . 0.0 111.457 -175.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 83.1 mt -97.95 128.88 48.91 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 C-N-CA 127.15 2.18 . . . . 0.0 107.965 165.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 23.1 t -123.99 138.9 54.39 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.315 1.046 . . . . 0.0 111.117 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 23.5 mt -109.45 151.31 26.87 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.991 1.317 . . . . 0.0 112.276 -175.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -132.91 159.33 43.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 126.048 1.739 . . . . 0.0 111.445 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -70.66 128.73 37.07 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.339 -0.851 . . . . 0.0 111.94 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? . . . . . 0 N--CA 1.48 1.041 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 -178.998 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.517 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.8 tttt -106.56 130.68 54.29 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 126.276 1.83 . . . . 0.0 110.003 166.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 74.0 t -99.52 139.05 22.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 124.531 1.132 . . . . 0.0 109.15 166.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.4 p -139.68 139.29 38.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.2 1.0 . . . . 0.0 113.14 -178.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.646 0 C-N-CA 127.146 2.178 . . . . 0.0 110.22 175.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 24.2 t . . . . . 0 N--CA 1.47 0.546 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -136.57 131.18 33.46 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.663 1.185 . . . . 0.0 110.267 -178.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 41.0 mt -128.16 106.24 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 124.77 1.228 . . . . 0.0 108.245 -171.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.17 169.75 38.47 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 124.044 0.83 . . . . 0.0 114.682 178.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 58.15 35.37 25.02 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.996 1.719 . . . . 0.0 113.791 173.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 68.8 t -74.08 130.73 35.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 125.697 1.599 . . . . 0.0 111.756 -177.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 71.3 mt -99.23 -25.88 14.36 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.413 1.485 . . . . 0.0 113.491 175.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -157.46 142.57 16.94 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.329 0.968 . . . . 0.0 111.668 -177.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.8 t -134.84 142.62 39.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 125.539 1.536 . . . . 0.0 110.026 174.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.88 142.68 46.65 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.66 1.584 . . . . 0.0 110.619 176.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.648 0 C-N-CA 124.182 0.993 . . . . 0.0 109.286 164.078 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.458 0 CA-C-O 120.635 0.255 . . . . 0.0 111.616 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 70.6 t -99.18 140.89 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 122.592 0.357 . . . . 0.0 110.119 164.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.3 mtt180 -132.51 139.0 47.73 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.486 1.514 . . . . 0.0 109.553 -169.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.2 t -138.32 146.65 26.45 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 C-N-CA 123.946 0.899 . . . . 0.0 111.874 -166.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 53.1 m -132.3 142.43 49.35 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 125.262 1.425 . . . . 0.0 110.867 172.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 72.6 p -123.64 167.09 14.42 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 126.261 1.824 . . . . 0.0 111.711 -177.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.51 -6.25 10.19 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 115.42 1.637 . . . . 0.0 115.42 176.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -78.79 2.56 19.44 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.645 1.178 . . . . 0.0 112.855 170.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 61.41 16.42 7.46 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 126.717 2.007 . . . . 0.0 114.188 -170.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -79.96 158.37 26.62 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 122.45 1.119 . . . . 0.0 112.786 173.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -132.39 138.92 47.88 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 126.103 1.761 . . . . 0.0 110.308 178.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -137.05 152.78 50.47 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.102 1.361 . . . . 0.0 111.164 -173.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -146.42 143.09 28.79 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.246 1.018 . . . . 0.0 112.129 177.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -137.73 87.08 17.53 Favored Pre-proline 0 CA--C 1.547 0.856 0 C-N-CA 125.777 1.631 . . . . 0.0 109.991 -170.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -67.87 145.55 68.85 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 123.273 2.649 . . . . 0.0 112.64 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.12 5.25 76.94 Favored Glycine 0 CA--C 1.533 1.164 0 C-N-CA 124.862 1.22 . . . . 0.0 114.352 -178.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.6 mt -112.86 160.43 18.04 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.333 1.453 . . . . 0.0 113.976 178.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.32 161.16 38.74 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 127.753 2.421 . . . . 0.0 110.283 167.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 55.1 mt -71.83 124.4 28.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 O-C-N 121.062 -1.024 . . . . 0.0 109.285 176.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -90.08 -53.07 2.43 Favored Glycine 0 CA--C 1.53 0.995 0 C-N-CA 124.622 1.106 . . . . 0.0 112.702 177.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.1 ptt85 -153.25 161.47 42.36 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.625 1.17 . . . . 0.0 112.837 176.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.9 t -129.75 127.9 64.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 124.625 1.17 . . . . 0.0 109.791 170.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -122.44 103.85 9.0 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.651 1.18 . . . . 0.0 111.263 -174.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -81.85 -4.96 57.76 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.003 1.321 . . . . 0.0 113.13 -170.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.8 mtm180 -71.44 -23.57 61.87 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.478 1.111 . . . . 0.0 111.888 168.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.3 m -125.89 -12.24 6.5 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.059 1.344 . . . . 0.0 113.846 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.07 29.29 62.88 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 124.374 0.988 . . . . 0.0 113.435 -176.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.7 t -102.95 127.2 56.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 124.597 1.159 . . . . 0.0 111.594 -173.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.2 mt -100.31 113.0 34.63 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 C-N-CA 126.908 2.083 . . . . 0.0 107.879 167.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 27.2 t -101.03 124.41 46.71 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 124.897 1.279 . . . . 0.0 111.099 -177.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.7 mt -99.81 152.39 20.18 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.31 1.044 . . . . 0.0 112.802 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -135.72 159.78 39.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 126.296 1.838 . . . . 0.0 110.328 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.2 mp0 -69.51 130.18 41.76 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.21 -0.931 . . . . 0.0 111.706 178.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.476 0.85 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -176.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 35.8 mtm . . . . . 0 N--CA 1.469 0.49 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.67 170.68 14.73 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-O 122.311 1.053 . . . . 0.0 113.349 177.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -132.12 135.2 46.24 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 125.657 1.583 . . . . 0.0 110.608 165.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 39.8 t -99.77 142.87 14.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 124.657 1.183 . . . . 0.0 110.455 -177.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 9.7 p -133.91 138.61 50.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 C-N-CA 125.421 1.488 . . . . 0.0 111.255 170.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -152.06 168.08 26.4 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.72 1.608 . . . . 0.0 111.904 -177.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.7 m -125.41 130.25 51.49 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.396 1.078 . . . . 0.0 110.047 173.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -73.08 162.14 29.81 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.188 1.395 . . . . 0.0 112.207 176.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.41 -24.33 66.44 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 113.299 0.852 . . . . 0.0 113.299 175.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -76.02 -3.28 34.86 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 124.953 1.301 . . . . 0.0 114.231 171.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.06 -1.55 88.75 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 125.861 1.696 . . . . 0.0 115.435 -176.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.77 134.66 14.85 Favored Glycine 0 CA--C 1.534 1.27 0 CA-C-N 118.707 1.253 . . . . 0.0 113.165 178.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 8.3 mmt85 -75.85 149.1 37.9 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.882 1.273 . . . . 0.0 112.416 174.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 90.8 t -138.33 137.81 43.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.597 1.559 . . . . 0.0 109.456 172.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -132.21 140.35 48.66 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.855 1.662 . . . . 0.0 110.921 177.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 52.8 mt -135.4 122.45 35.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.547 1.139 . . . . 0.0 109.84 -171.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -96.81 165.03 23.05 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 125.048 1.308 . . . . 0.0 114.405 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 50.87 45.86 26.9 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.199 1.799 . . . . 0.0 112.791 178.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 85.4 t -74.88 121.69 26.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 C-N-CA 124.422 1.089 . . . . 0.0 109.972 -178.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 15.8 tp -94.91 -32.15 13.35 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.102 1.761 . . . . 0.0 111.901 -172.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 62.5 tt0 -157.33 148.14 21.41 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.025 1.73 . . . . 0.0 111.287 174.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 5.4 m -131.23 152.23 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 C-N-CA 124.663 1.185 . . . . 0.0 111.395 164.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -139.36 140.1 37.39 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.597 1.559 . . . . 0.0 111.273 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.492 0 C-N-CA 124.15 0.98 . . . . 0.0 108.79 166.328 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.525 0 CA-C-O 120.783 0.325 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 80.1 t -113.33 139.47 38.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 123.6 0.76 . . . . 0.0 110.72 166.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -117.48 143.5 45.99 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.711 1.605 . . . . 0.0 110.006 172.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 4.3 m -136.93 142.43 37.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.105 0.962 . . . . 0.0 111.522 -178.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 87.0 m -125.89 133.25 51.96 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.622 1.569 . . . . 0.0 110.234 -178.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 43.0 p -101.4 168.07 9.76 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 122.267 1.032 . . . . 0.0 113.142 -176.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 63.2 tp -49.76 -33.93 17.76 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.281 1.832 . . . . 0.0 113.838 170.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -80.6 6.63 12.07 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.892 1.677 . . . . 0.0 114.03 -176.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 30.6 t0 61.13 21.17 11.61 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.545 1.938 . . . . 0.0 114.032 -174.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -83.9 157.25 22.02 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 122.056 0.931 . . . . 0.0 111.267 165.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -140.7 139.63 34.77 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.685 1.194 . . . . 0.0 111.131 -176.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -135.04 153.73 51.96 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.282 1.433 . . . . 0.0 110.768 -176.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -138.7 141.57 38.96 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.335 1.054 . . . . 0.0 112.129 -177.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -137.27 93.47 12.96 Favored Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 125.281 1.432 . . . . 0.0 110.459 -170.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -61.37 146.17 97.49 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 123.888 3.059 . . . . 0.0 113.777 176.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.32 8.05 87.64 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 124.804 1.192 . . . . 0.0 114.57 177.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 62.3 mt -108.53 162.07 14.47 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 118.766 1.283 . . . . 0.0 113.254 177.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.44 159.21 42.7 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.545 2.338 . . . . 0.0 110.003 166.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 26.3 mt -71.96 112.76 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 174.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -85.36 -45.81 5.74 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 123.809 0.719 . . . . 0.0 113.325 -178.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -153.61 159.56 42.16 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.198 1.399 . . . . 0.0 112.793 178.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 11.7 t -130.61 114.44 28.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 126.014 1.725 . . . . 0.0 108.499 171.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -101.67 88.56 3.44 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.923 1.289 . . . . 0.0 109.698 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -65.32 -16.75 63.91 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -172.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 55.5 mtt85 -59.97 -24.54 64.5 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.125 1.37 . . . . 0.0 113.463 174.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 20.8 t -134.33 -0.78 2.94 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.416 1.886 . . . . 0.0 112.895 177.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.26 24.75 74.83 Favored Glycine 0 CA--C 1.533 1.198 0 O-C-N 120.566 -1.334 . . . . 0.0 113.922 -175.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 93.8 t -81.56 118.14 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 CA-C-N 118.24 1.02 . . . . 0.0 111.337 -177.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 78.7 mt -97.07 119.09 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 125.19 1.396 . . . . 0.0 107.908 169.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 12.1 t -107.84 125.01 50.94 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.621 0.768 . . . . 0.0 111.082 177.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 23.7 mt -97.87 142.84 29.12 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.691 0.796 . . . . 0.0 111.256 178.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.6 pp -128.92 156.73 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 125.852 1.661 . . . . 0.0 111.159 -177.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 53.9 mp0 -66.25 118.12 9.5 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.376 1.071 . . . . 0.0 111.853 178.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? . . . . . 0 N--CA 1.475 0.79 0 C-N-CA 124.075 0.95 . . . . 0.0 113.186 -176.555 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.808 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -130.33 136.84 49.53 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.226 1.81 . . . . 0.0 111.414 169.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.2 t -100.55 144.09 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 125.161 1.384 . . . . 0.0 110.469 -178.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.6 p -139.45 144.16 29.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 125.176 1.39 . . . . 0.0 111.535 172.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 pp . . . . . 0 N--CA 1.468 0.444 0 C-N-CA 124.579 1.152 . . . . 0.0 112.011 179.166 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 26.2 t . . . . . 0 N--CA 1.479 0.975 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -131.47 140.65 49.62 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.44 1.496 . . . . 0.0 110.712 178.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 31.5 mt -138.41 114.25 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.715 1.206 . . . . 0.0 109.926 -171.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.06 165.13 34.28 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.394 0.997 . . . . 0.0 114.577 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 56.26 38.13 29.5 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.001 1.72 . . . . 0.0 115.396 170.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.5 p -76.36 134.05 29.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.182 0.993 . . . . 0.0 111.666 -178.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.2 mt -91.67 -30.26 16.41 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.143 1.377 . . . . 0.0 113.178 173.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -158.85 145.23 16.95 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.929 0.891 . . . . 0.0 112.254 -175.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.0 m -133.94 148.55 30.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 125.189 1.396 . . . . 0.0 110.674 167.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.48 137.33 35.44 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.814 1.246 . . . . 0.0 111.492 175.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.501 0 C-N-CA 125.916 1.686 . . . . 0.0 109.275 171.445 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.792 0 N-CA-C 111.251 0.093 . . . . 0.0 111.251 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.9 t -116.81 131.55 69.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 122.975 0.51 . . . . 0.0 111.768 166.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 -105.34 149.28 26.2 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 126.172 1.789 . . . . 0.0 111.37 170.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.4 m -137.21 151.3 26.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 125.434 1.494 . . . . 0.0 111.325 178.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 84.9 m -134.56 130.61 36.81 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 125.493 1.517 . . . . 0.0 112.029 -177.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 36.6 p -104.23 167.3 9.84 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 125.026 1.33 . . . . 0.0 112.982 179.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -63.46 -13.16 37.59 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 174.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -79.45 3.2 19.22 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.485 1.114 . . . . 0.0 113.331 174.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 60.95 11.24 3.2 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 127.162 2.185 . . . . 0.0 113.942 -165.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -80.98 143.82 32.28 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.677 1.191 . . . . 0.0 111.592 173.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -125.68 152.27 45.47 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.785 1.234 . . . . 0.0 112.584 174.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -134.64 155.9 49.68 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.425 1.49 . . . . 0.0 110.415 173.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.47 142.05 33.65 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.482 1.113 . . . . 0.0 111.948 -175.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -137.83 94.17 11.71 Favored Pre-proline 0 CA--C 1.544 0.723 0 C-N-CA 124.899 1.28 . . . . 0.0 111.359 -169.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -62.73 145.51 94.96 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 123.537 2.824 . . . . 0.0 113.808 177.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.71 5.04 86.97 Favored Glycine 0 CA--C 1.535 1.33 0 C-N-CA 125.015 1.293 . . . . 0.0 114.594 175.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 66.2 mt -107.7 161.88 14.49 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.232 1.413 . . . . 0.0 113.218 178.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.57 161.25 38.19 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.222 1.809 . . . . 0.0 110.544 164.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.3 mt -74.11 119.09 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 175.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -98.4 -34.58 5.26 Favored Glycine 0 CA--C 1.529 0.957 0 C-N-CA 124.174 0.892 . . . . 0.0 115.106 -177.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 39.4 ttp85 -157.03 143.82 18.42 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 118.656 1.228 . . . . 0.0 111.231 -174.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 42.7 t -132.81 125.7 52.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 124.936 1.294 . . . . 0.0 108.465 176.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -134.49 97.36 3.79 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.545 1.138 . . . . 0.0 110.857 -168.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -75.5 -7.3 53.79 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.351 1.46 . . . . 0.0 113.628 -169.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 66.7 mtt85 -63.61 -28.36 69.87 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.568 1.147 . . . . 0.0 112.708 173.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.2 t -132.4 4.16 3.97 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.84 1.656 . . . . 0.0 112.492 176.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 64.53 33.6 87.66 Favored Glycine 0 CA--C 1.535 1.329 0 O-C-N 120.675 -1.266 . . . . 0.0 113.526 -176.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.7 t -85.89 130.9 35.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 CA-C-N 118.28 1.04 . . . . 0.0 111.026 -178.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 88.0 mt -113.28 118.33 57.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 125.981 1.713 . . . . 0.0 107.657 169.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.0 t -116.49 125.42 51.92 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.498 1.119 . . . . 0.0 111.928 -174.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.4 mp -104.26 150.59 24.28 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.665 1.586 . . . . 0.0 111.205 -178.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.05 165.02 33.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.202 1.401 . . . . 0.0 111.363 178.115 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -68.02 118.1 10.75 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.552 0.741 . . . . 0.0 110.402 173.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? . . . . . 0 CA--C 1.549 0.933 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -175.255 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 3.5 mpp? . . . . . 0 N--CA 1.47 0.564 0 CA-C-O 121.571 0.701 . . . . 0.0 112.079 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.97 170.31 16.42 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 124.612 1.165 . . . . 0.0 113.33 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -121.52 129.4 52.88 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.83 1.252 . . . . 0.0 110.725 161.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 74.4 t -99.73 143.3 13.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.861 1.264 . . . . 0.0 110.086 -178.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.9 p -134.5 143.82 36.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.174 1.39 . . . . 0.0 111.366 171.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 pp -147.86 157.01 43.31 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.278 1.431 . . . . 0.0 112.304 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 16.7 m -112.58 131.51 55.58 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.932 1.293 . . . . 0.0 110.795 175.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 38.3 mtmt -79.84 161.82 25.42 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.457 1.503 . . . . 0.0 112.28 177.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.42 -21.74 64.39 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 123.471 0.709 . . . . 0.0 112.872 166.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -69.38 -11.26 60.67 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.166 1.386 . . . . 0.0 114.153 171.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.0 -9.93 54.91 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 125.22 1.39 . . . . 0.0 114.848 -171.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.04 167.75 54.45 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.514 1.054 . . . . 0.0 112.804 170.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -127.47 152.94 46.92 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.227 1.411 . . . . 0.0 113.225 -178.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 95.1 t -133.2 142.02 43.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 126.165 1.786 . . . . 0.0 109.728 -177.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -130.03 149.62 51.67 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.137 1.375 . . . . 0.0 112.127 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 25.1 mt -137.15 122.66 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 125.52 1.528 . . . . 0.0 109.401 -178.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -94.74 168.14 27.51 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 124.464 1.031 . . . . 0.0 114.232 176.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 56.41 35.87 26.61 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 125.877 1.671 . . . . 0.0 114.119 173.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 72.8 t -75.72 119.01 22.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 125.555 1.542 . . . . 0.0 111.944 -175.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 58.1 mt -79.22 -35.16 42.09 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.667 1.187 . . . . 0.0 112.709 169.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 72.5 tt0 -156.45 147.33 21.95 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 119.182 0.901 . . . . 0.0 113.037 -169.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 46.9 t -134.41 138.62 49.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 125.805 1.642 . . . . 0.0 109.789 174.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 37.8 mtt85 -139.36 128.63 24.03 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.529 1.132 . . . . 0.0 110.865 -171.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.615 0 C-N-CA 124.639 1.175 . . . . 0.0 110.421 171.951 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.536 0 CA-C-O 120.473 0.177 . . . . 0.0 111.271 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 92.8 t -111.44 142.31 24.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 123.817 0.847 . . . . 0.0 111.342 169.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 58.5 mtt85 -127.74 150.47 49.78 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 126.259 1.823 . . . . 0.0 110.387 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 21.9 t -136.77 144.0 33.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 124.67 1.188 . . . . 0.0 110.957 -172.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 85.0 m -131.4 134.47 46.29 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 124.463 1.105 . . . . 0.0 111.484 176.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 30.8 p -107.14 166.98 10.22 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.656 1.582 . . . . 0.0 112.51 178.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.21 -7.84 26.95 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 115.151 1.538 . . . . 0.0 115.151 174.7 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -79.4 0.52 28.92 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.473 1.109 . . . . 0.0 112.848 169.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 26.5 t0 59.34 22.75 11.16 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.144 1.778 . . . . 0.0 113.416 -168.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -84.5 141.82 30.48 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.871 1.268 . . . . 0.0 110.773 172.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -122.38 150.03 42.98 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.083 1.353 . . . . 0.0 112.367 -175.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -136.67 155.49 49.81 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.584 1.553 . . . . 0.0 111.156 -179.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.82 138.36 27.01 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.208 1.403 . . . . 0.0 112.108 177.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -139.63 90.62 11.12 Favored Pre-proline 0 CA--C 1.542 0.636 0 C-N-CA 125.92 1.688 . . . . 0.0 110.925 -172.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -67.46 146.23 73.78 Favored 'Trans proline' 0 CA--C 1.535 0.561 0 C-N-CA 123.061 2.507 . . . . 0.0 112.136 177.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.01 0.72 88.98 Favored Glycine 0 CA--C 1.538 1.493 0 C-N-CA 124.928 1.251 . . . . 0.0 114.853 -178.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 36.4 mt -100.77 162.43 12.91 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.082 1.441 . . . . 0.0 113.743 177.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.52 157.32 45.67 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 127.673 2.389 . . . . 0.0 109.786 165.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 42.6 mt -72.31 118.05 16.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 O-C-N 121.046 -1.034 . . . . 0.0 109.279 176.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -98.01 -35.7 4.98 Favored Glycine 0 CA--C 1.533 1.166 0 CA-C-O 119.382 -0.677 . . . . 0.0 114.512 -173.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 46.7 ttt-85 -158.44 148.95 20.18 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 118.186 0.993 . . . . 0.0 111.964 -173.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 10.9 t -131.57 131.53 62.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.584 1.153 . . . . 0.0 109.466 165.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -123.42 111.06 15.89 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 125.718 1.607 . . . . 0.0 109.675 176.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -81.77 -14.62 56.19 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.541 1.137 . . . . 0.0 113.314 -174.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 38.2 mtm180 -67.36 -38.17 84.36 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.821 1.248 . . . . 0.0 111.621 175.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 12.2 t -106.42 -12.89 15.51 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.022 1.329 . . . . 0.0 114.005 172.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.26 27.32 66.23 Favored Glycine 0 CA--C 1.538 1.493 0 O-C-N 120.71 -1.244 . . . . 0.0 113.98 -172.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 54.8 t -87.22 138.57 18.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 125.446 1.498 . . . . 0.0 111.494 -177.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 87.8 mt -118.07 126.3 74.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 C-N-CA 125.968 1.707 . . . . 0.0 108.06 165.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 16.4 m -111.9 128.02 56.02 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.338 0.655 . . . . 0.0 110.705 176.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 27.1 mt -100.34 146.43 26.96 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 124.713 1.205 . . . . 0.0 111.409 174.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -133.53 156.66 41.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 125.46 1.504 . . . . 0.0 110.719 -177.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 13.0 mp0 -66.65 131.22 45.51 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.321 -0.862 . . . . 0.0 110.948 175.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.78 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 -163.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.912 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -131.58 148.32 52.6 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.432 1.893 . . . . 0.0 111.487 163.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.8 t -99.38 146.01 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.264 1.025 . . . . 0.0 110.424 175.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.2 p -140.95 141.76 31.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 124.846 1.258 . . . . 0.0 112.381 178.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 pp . . . . . 0 N--CA 1.474 0.739 0 C-N-CA 125.795 1.638 . . . . 0.0 112.842 -178.068 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.5 t . . . . . 0 N--CA 1.47 0.555 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.2 mp0 -125.7 142.58 51.44 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 124.913 1.285 . . . . 0.0 110.944 175.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -126.94 96.08 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 125.412 1.485 . . . . 0.0 109.194 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.27 163.01 44.56 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 124.16 0.886 . . . . 0.0 113.843 178.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 53.14 40.99 32.13 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.072 1.349 . . . . 0.0 112.778 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.5 p -71.4 136.65 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 124.048 0.939 . . . . 0.0 111.46 179.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 33.4 mt -101.2 -31.11 11.17 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.797 0.839 . . . . 0.0 112.738 174.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -154.16 143.31 21.26 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.318 1.047 . . . . 0.0 112.405 -177.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.2 t -136.21 142.2 39.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 126.478 1.911 . . . . 0.0 109.897 174.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -135.64 138.69 43.12 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.83 1.652 . . . . 0.0 111.272 174.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.577 0 C-N-CA 124.779 1.232 . . . . 0.0 109.621 161.848 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.516 0 N-CA-C 112.789 0.662 . . . . 0.0 112.789 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 56.7 t -94.4 142.54 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.318 0.647 . . . . 0.0 109.865 155.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 51.5 mtt85 -129.11 143.94 51.03 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.961 1.704 . . . . 0.0 110.965 173.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -152.55 141.76 14.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 124.294 1.038 . . . . 0.0 112.509 -169.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.4 m -127.05 139.14 53.22 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.471 1.508 . . . . 0.0 111.732 -177.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 34.0 p -109.01 167.46 10.08 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.443 1.497 . . . . 0.0 114.331 -171.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.0 tt -55.16 -28.71 54.78 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.77 2.028 . . . . 0.0 113.373 171.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -80.05 6.73 10.7 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.183 1.393 . . . . 0.0 113.731 178.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 61.32 11.25 3.52 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 127.251 2.221 . . . . 0.0 114.661 -170.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -81.86 146.14 30.01 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.496 1.119 . . . . 0.0 111.07 172.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -135.3 137.36 42.4 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.016 1.726 . . . . 0.0 111.152 -174.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -128.33 152.13 48.51 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 125.689 1.596 . . . . 0.0 111.53 -171.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -130.4 139.71 50.61 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 125.133 1.373 . . . . 0.0 111.764 172.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -133.35 91.63 26.6 Favored Pre-proline 0 CA--C 1.543 0.698 0 C-N-CA 125.701 1.601 . . . . 0.0 110.491 -176.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -66.4 148.18 83.78 Favored 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 123.494 2.796 . . . . 0.0 113.069 -176.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.17 -1.14 76.89 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 125.978 1.752 . . . . 0.0 115.397 -178.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 34.9 mt -96.87 162.64 13.32 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 119.379 1.59 . . . . 0.0 113.832 178.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.03 160.47 39.87 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 127.883 2.473 . . . . 0.0 110.448 164.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.5 mt -72.14 118.03 16.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 O-C-N 121.321 -0.862 . . . . 0.0 109.036 175.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.47 -42.4 4.24 Favored Glycine 0 CA--C 1.53 1.016 0 C-N-CA 123.848 0.737 . . . . 0.0 113.848 -175.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -156.52 147.8 22.32 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.631 1.172 . . . . 0.0 112.148 -174.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 39.1 t -131.52 114.74 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 125.956 1.702 . . . . 0.0 109.202 174.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -98.14 107.57 20.07 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 125.074 1.35 . . . . 0.0 110.496 174.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -76.42 -20.66 56.87 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 121.767 -0.583 . . . . 0.0 111.531 173.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 70.1 mtm180 -66.56 -22.79 66.15 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 125.082 1.353 . . . . 0.0 113.896 174.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 96.2 p -133.3 -9.52 2.92 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 -177.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.39 42.04 43.11 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 124.251 0.929 . . . . 0.0 113.411 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.5 t -122.0 126.64 74.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 CA-C-N 118.343 1.071 . . . . 0.0 111.752 -176.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 98.9 mt -104.11 109.91 28.72 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 126.369 1.867 . . . . 0.0 108.186 171.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.6 t -98.15 125.64 43.26 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.511 1.124 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 25.2 mt -96.93 151.09 20.03 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.11 0.964 . . . . 0.0 111.693 176.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -133.66 155.02 39.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 126.188 1.795 . . . . 0.0 110.685 179.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.5 mp0 -67.78 124.25 22.79 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.575 0.75 . . . . 0.0 110.204 173.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.675 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 -168.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 5.0 mpp? . . . . . 0 N--CA 1.471 0.615 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.47 -170.97 0.72 Allowed 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.239 1.416 . . . . 0.0 112.652 168.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -141.06 152.84 45.15 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.428 1.891 . . . . 0.0 111.731 168.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 14.9 t -104.76 146.68 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 124.908 1.283 . . . . 0.0 110.953 176.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 8.6 p -139.01 144.92 28.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 125.569 1.548 . . . . 0.0 112.447 173.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 pp -143.85 158.65 43.54 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.161 1.784 . . . . 0.0 110.369 169.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 26.1 m -122.14 130.66 53.43 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.17 0.988 . . . . 0.0 111.27 177.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -81.57 161.92 23.35 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.314 1.846 . . . . 0.0 112.314 -178.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.99 -24.58 67.12 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.057 0.943 . . . . 0.0 113.405 173.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -74.07 -5.83 43.94 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.522 1.529 . . . . 0.0 114.178 172.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.61 -3.93 86.46 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.708 1.623 . . . . 0.0 115.607 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -84.22 151.08 26.68 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 124.697 1.142 . . . . 0.0 112.222 172.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 86.2 mtm-85 -96.83 160.1 14.55 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 117.895 0.847 . . . . 0.0 112.849 176.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 62.2 t -127.16 135.54 63.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.812 1.645 . . . . 0.0 108.431 165.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -137.76 144.86 41.82 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.608 1.163 . . . . 0.0 112.078 -171.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -132.57 108.52 13.49 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 125.134 1.374 . . . . 0.0 110.239 -175.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.37 167.29 42.92 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 124.24 0.924 . . . . 0.0 113.605 174.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 55.44 35.88 25.97 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.205 1.402 . . . . 0.0 114.174 175.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 11.3 p -75.16 134.28 29.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 124.465 1.106 . . . . 0.0 112.245 -176.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 75.9 mt -97.09 -29.89 13.36 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.257 1.423 . . . . 0.0 112.468 176.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -159.36 139.07 11.62 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.06 0.944 . . . . 0.0 111.986 -168.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 9.0 t -139.73 137.54 39.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 125.606 1.562 . . . . 0.0 109.996 176.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 4.4 ptt85 -153.22 141.89 20.94 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.366 1.066 . . . . 0.0 112.801 -172.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.551 0 C-N-CA 125.128 1.371 . . . . 0.0 110.15 176.436 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.498 0 CA-C-O 120.54 0.21 . . . . 0.0 111.336 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 92.0 t -115.0 139.88 39.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 123.867 0.867 . . . . 0.0 110.662 165.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -118.93 144.15 46.6 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.683 1.993 . . . . 0.0 110.56 173.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -145.81 134.28 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 124.249 1.02 . . . . 0.0 111.244 -176.278 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 5.2 m -127.29 134.79 49.99 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.501 1.121 . . . . 0.0 112.234 -168.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 36.2 p -106.71 167.31 9.95 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 125.552 1.541 . . . . 0.0 113.448 -175.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.65 -7.16 24.49 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 115.373 1.62 . . . . 0.0 115.373 172.305 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -79.24 1.1 25.94 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.172 0.989 . . . . 0.0 112.822 170.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 26.7 t0 59.15 19.11 7.07 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.513 1.925 . . . . 0.0 113.683 -166.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -88.76 135.66 33.4 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.203 1.401 . . . . 0.0 110.356 172.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -124.35 134.17 53.23 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.738 1.215 . . . . 0.0 111.335 -179.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -108.17 151.1 26.37 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 127.16 2.184 . . . . 0.0 110.665 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -139.84 137.75 35.18 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.386 1.074 . . . . 0.0 111.699 177.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -137.25 91.93 14.16 Favored Pre-proline 0 CA--C 1.54 0.579 0 C-N-CA 125.338 1.455 . . . . 0.0 110.693 -172.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -69.39 145.88 60.74 Favored 'Trans proline' 0 CA--C 1.535 0.553 0 C-N-CA 123.263 2.642 . . . . 0.0 112.872 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.11 -1.11 89.15 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 125.183 1.373 . . . . 0.0 115.382 -176.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 24.6 mt -98.36 163.99 12.47 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 118.77 1.285 . . . . 0.0 113.777 178.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.88 159.41 42.23 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 128.266 2.626 . . . . 0.0 109.925 163.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 52.9 mt -71.74 116.3 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 175.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.09 -39.75 3.95 Favored Glycine 0 CA--C 1.53 1.018 0 C-N-CA 124.53 1.062 . . . . 0.0 114.921 -172.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -155.32 150.77 27.19 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.554 1.142 . . . . 0.0 111.765 -174.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 33.5 t -140.14 132.44 33.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 125.523 1.529 . . . . 0.0 109.783 175.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.09 115.09 19.94 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.337 1.055 . . . . 0.0 110.756 173.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -80.12 -23.2 41.36 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.812 1.245 . . . . 0.0 112.583 -177.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -65.71 -41.41 92.32 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.527 1.131 . . . . 0.0 112.254 171.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 18.4 t -88.76 -25.37 22.32 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.176 0.99 . . . . 0.0 113.403 177.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.75 48.99 11.21 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 124.325 0.964 . . . . 0.0 112.463 -174.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 9.6 p -136.13 144.02 34.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.797 0.839 . . . . 0.0 113.112 -173.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 97.7 mt -116.58 132.93 64.8 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 127.546 2.339 . . . . 0.0 107.835 172.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 36.4 t -125.36 126.38 44.95 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.968 1.307 . . . . 0.0 111.404 -176.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 22.1 mt -99.85 149.31 23.52 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.867 1.267 . . . . 0.0 111.86 -177.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -132.54 154.24 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 125.812 1.645 . . . . 0.0 110.842 179.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -69.32 125.28 26.21 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.874 -0.517 . . . . 0.0 110.85 172.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? . . . . . 0 CA--C 1.544 0.731 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -175.97 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.567 0 CA-C-O 121.834 0.826 . . . . 0.0 113.043 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 72.1 tttt -91.57 127.68 37.11 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.186 0.995 . . . . 0.0 108.953 156.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.3 t -104.91 138.11 31.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.807 0.843 . . . . 0.0 109.994 171.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.8 p -134.4 139.94 46.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 125.023 1.329 . . . . 0.0 111.683 178.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 pp . . . . . 0 CA--C 1.538 0.498 0 C-N-CA 125.993 1.717 . . . . 0.0 111.335 179.697 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 91.8 t . . . . . 0 N--CA 1.472 0.671 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -130.97 131.02 44.13 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.391 1.476 . . . . 0.0 110.127 -176.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.9 mt -132.22 109.97 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 125.028 1.331 . . . . 0.0 109.807 -168.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.29 163.22 40.94 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 124.021 0.82 . . . . 0.0 113.662 176.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 55.48 38.73 30.66 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.806 1.642 . . . . 0.0 114.772 172.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 80.2 t -75.3 118.96 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.436 1.094 . . . . 0.0 110.766 174.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 50.7 mt -74.54 -38.3 62.78 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.206 1.402 . . . . 0.0 112.206 175.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -153.59 144.53 22.78 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.797 1.239 . . . . 0.0 111.249 -179.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.7 p -133.25 137.34 53.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 126.186 1.795 . . . . 0.0 110.451 175.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -133.33 138.06 46.2 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.749 1.619 . . . . 0.0 111.859 -175.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.64 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 163.188 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.577 0 CA-C-O 119.958 -0.068 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.2 t -91.99 137.96 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 O-C-N 121.989 -0.444 . . . . 0.0 110.631 163.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.2 mtt180 -131.7 139.86 49.14 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 126.065 1.746 . . . . 0.0 110.3 -171.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.1 m -131.23 150.23 34.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 124.749 1.219 . . . . 0.0 112.587 -174.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 58.4 m -125.17 126.88 45.95 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.785 1.234 . . . . 0.0 110.117 168.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 43.6 p -96.06 160.49 14.42 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.322 1.049 . . . . 0.0 113.273 -178.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.7 tt -52.58 -29.19 24.42 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.205 1.802 . . . . 0.0 113.359 166.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -77.72 5.56 9.12 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.36 1.464 . . . . 0.0 113.909 176.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.315 2.0 p30 59.3 10.89 1.92 Allowed 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 129.095 2.958 . . . . 0.0 115.244 -172.465 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -79.61 145.11 33.24 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.8 1.24 . . . . 0.0 111.18 169.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -127.02 148.69 50.11 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.256 1.422 . . . . 0.0 112.146 178.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -142.01 158.26 43.98 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.533 1.533 . . . . 0.0 111.013 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -143.56 143.84 31.69 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.166 1.386 . . . . 0.0 112.265 177.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -136.83 94.96 12.57 Favored Pre-proline 0 CA--C 1.545 0.758 0 C-N-CA 125.935 1.694 . . . . 0.0 111.084 -168.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_exo -61.93 147.44 95.18 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 123.8 3.0 . . . . 0.0 114.418 -179.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.17 4.14 90.32 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 125.11 1.338 . . . . 0.0 114.776 176.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.2 mt -103.2 162.53 12.9 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.452 1.101 . . . . 0.0 113.347 178.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.89 158.1 44.63 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 127.767 2.427 . . . . 0.0 109.901 165.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 59.5 mt -69.64 118.48 14.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 O-C-N 121.087 -1.008 . . . . 0.0 109.134 178.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.56 -61.17 1.39 Allowed Glycine 0 N--CA 1.469 0.889 0 C-N-CA 124.574 1.083 . . . . 0.0 113.653 -171.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -148.25 157.34 43.43 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 179.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 18.4 t -128.35 127.49 67.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 126.893 2.077 . . . . 0.0 108.995 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -124.46 92.54 3.68 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.88 1.272 . . . . 0.0 110.895 -178.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -70.56 -10.14 58.51 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 121.265 -0.897 . . . . 0.0 113.082 -177.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.7 mtm-85 -60.35 -27.39 67.33 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 125.948 1.699 . . . . 0.0 113.104 167.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.0 m -135.33 -7.06 2.27 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.057 1.343 . . . . 0.0 113.965 -176.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.49 21.72 79.33 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 124.284 0.945 . . . . 0.0 114.041 -176.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 47.7 t -96.73 138.87 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.701 1.2 . . . . 0.0 111.23 -178.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 63.8 mt -119.13 119.68 61.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 C-N-CA 127.506 2.323 . . . . 0.0 108.542 174.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.0 t -102.37 130.34 49.09 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.975 0.91 . . . . 0.0 111.522 177.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.8 mt -98.66 148.86 23.4 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.039 1.336 . . . . 0.0 111.617 176.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -135.32 163.16 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 126.007 1.723 . . . . 0.0 110.623 -178.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.3 mp0 -64.46 137.41 57.86 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.565 -0.71 . . . . 0.0 110.941 176.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? . . . . . 0 N--CA 1.478 0.948 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 -175.82 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 2.8 mpp? . . . . . 0 CA--C 1.54 0.587 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -157.8 165.38 35.46 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 124.977 1.311 . . . . 0.0 111.333 165.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -134.19 133.43 40.93 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.494 1.118 . . . . 0.0 111.801 169.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 49.8 t -98.54 145.72 9.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.972 1.309 . . . . 0.0 110.642 -179.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 8.8 p -138.63 140.97 38.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 125.397 1.479 . . . . 0.0 111.585 174.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -148.33 160.91 42.52 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.384 1.474 . . . . 0.0 112.272 176.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 23.6 m -114.52 131.69 56.56 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.218 1.407 . . . . 0.0 111.026 176.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -80.43 164.04 23.36 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.029 1.732 . . . . 0.0 112.555 178.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.49 -25.66 68.09 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.292 1.037 . . . . 0.0 113.682 175.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 49.5 p30 -79.15 -0.05 30.2 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.764 1.226 . . . . 0.0 114.263 174.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.97 -5.25 83.48 Favored Glycine 0 CA--C 1.539 1.57 0 C-N-CA 125.747 1.641 . . . . 0.0 115.161 -178.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.44 167.83 54.81 Favored Glycine 0 CA--C 1.534 1.25 0 CA-C-N 119.253 1.526 . . . . 0.0 112.72 171.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -127.46 151.95 48.18 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.633 1.173 . . . . 0.0 113.226 -177.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 40.1 t -129.21 147.2 33.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 126.739 2.016 . . . . 0.0 109.098 -175.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -139.58 148.32 42.37 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.56 1.144 . . . . 0.0 112.056 177.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -132.24 123.14 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 125.167 1.387 . . . . 0.0 109.503 176.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.6 174.12 26.65 Favored Glycine 0 CA--C 1.538 1.497 0 C-N-CA 125.415 1.483 . . . . 0.0 113.457 173.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 56.22 32.44 20.29 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.008 1.323 . . . . 0.0 113.318 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 79.2 t -72.85 134.64 29.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 125.149 1.38 . . . . 0.0 110.927 -175.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 20.7 tp -117.82 -22.53 7.92 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.94 1.296 . . . . 0.0 113.181 -178.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -152.15 140.8 20.83 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.265 1.426 . . . . 0.0 111.47 178.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 17.9 t -142.09 143.0 27.15 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 C-N-CA 125.194 1.398 . . . . 0.0 109.858 171.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 1.9 ptt85 -152.62 143.76 23.13 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 176.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.447 0 C-N-CA 125.27 1.428 . . . . 0.0 108.679 168.501 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.746 0 CA-C-O 120.641 0.258 . . . . 0.0 110.796 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 79.7 t -115.38 138.33 46.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 123.694 0.798 . . . . 0.0 111.193 165.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -113.89 144.02 43.72 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 126.487 1.915 . . . . 0.0 109.765 169.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -146.85 138.41 18.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 124.437 1.095 . . . . 0.0 110.92 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 4.4 m -131.07 134.23 46.42 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.597 1.159 . . . . 0.0 111.159 -176.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 24.6 p -81.22 166.67 20.37 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.384 1.074 . . . . 0.0 112.053 174.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 pp -66.87 -10.07 44.4 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 114.536 1.309 . . . . 0.0 114.536 171.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -85.66 5.8 30.37 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.785 1.234 . . . . 0.0 112.96 169.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 62.77 17.17 9.64 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.638 1.975 . . . . 0.0 114.706 -173.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -79.49 125.83 30.07 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.107 -0.996 . . . . 0.0 110.157 172.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -112.94 138.86 49.17 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.763 0.825 . . . . 0.0 112.663 -173.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 56.6 m-70 -126.28 152.03 46.7 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 127.162 2.185 . . . . 0.0 110.42 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.6 145.28 31.71 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.63 0.772 . . . . 0.0 112.555 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -138.85 97.48 8.94 Favored Pre-proline 0 CA--C 1.545 0.759 0 C-N-CA 125.366 1.467 . . . . 0.0 111.004 -171.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -61.47 147.46 95.41 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.623 2.882 . . . . 0.0 114.431 178.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.83 -4.15 58.23 Favored Glycine 0 CA--C 1.535 1.331 0 C-N-CA 125.002 1.287 . . . . 0.0 114.936 177.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 25.2 mt -90.71 163.14 14.61 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.112 1.456 . . . . 0.0 113.71 179.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.07 160.69 39.54 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 127.904 2.482 . . . . 0.0 110.197 163.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 48.6 mt -72.64 119.03 18.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 O-C-N 121.461 -0.775 . . . . 0.0 109.103 176.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -86.23 -44.72 5.84 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 124.587 1.089 . . . . 0.0 113.338 -177.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 28.4 ptt85 -157.84 155.73 30.21 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.632 1.173 . . . . 0.0 112.663 175.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 34.1 t -125.38 125.64 69.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 124.424 1.09 . . . . 0.0 108.638 170.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -127.21 83.46 2.17 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.111 1.364 . . . . 0.0 109.929 -166.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.415 ' H ' HD22 ' B' ' 53' ' ' LEU . 2.2 mm? -67.58 -16.42 64.17 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.696 1.598 . . . . 0.0 112.871 -170.025 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 22.2 mtp-105 -56.2 -26.98 52.95 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 126.103 1.761 . . . . 0.0 113.187 168.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 39.9 m -133.68 3.99 3.58 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.873 1.669 . . . . 0.0 114.171 179.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 67.15 17.55 68.13 Favored Glycine 0 CA--C 1.54 1.652 0 C-N-CA 124.806 1.193 . . . . 0.0 115.106 -176.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 71.1 t -85.93 134.67 26.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-N 118.285 1.042 . . . . 0.0 111.711 -173.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 96.7 mt -116.62 108.66 25.6 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 126.051 1.74 . . . . 0.0 107.779 169.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 26.7 t -97.85 129.0 44.84 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 121.287 -0.883 . . . . 0.0 111.457 -177.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 18.9 mt -108.34 146.23 33.29 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.341 1.057 . . . . 0.0 112.02 177.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -139.17 161.95 28.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 126.056 1.742 . . . . 0.0 110.759 -179.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -65.09 135.52 55.63 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.057 -1.027 . . . . 0.0 111.255 174.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? . . . . . 0 N--CA 1.475 0.787 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 -176.767 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.509 0 CA-C-O 119.471 -0.627 . . . . 0.0 111.575 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -60.39 160.84 22.12 Favored 'Trans proline' 0 CA--C 1.542 0.884 0 C-N-CA 124.537 3.491 . . . . 0.0 114.199 176.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -68.55 -10.89 61.35 Favored Glycine 0 CA--C 1.541 1.672 0 C-N-CA 124.749 1.166 . . . . 0.0 115.769 -178.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 12.4 t -149.89 -176.35 5.4 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.88 1.672 . . . . 0.0 110.616 178.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptm -140.94 138.33 33.75 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.651 1.18 . . . . 0.0 112.685 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 88.6 m -143.17 158.69 43.39 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 127.174 2.19 . . . . 0.0 110.823 178.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -70.0 170.96 10.27 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.837 0.855 . . . . 0.0 111.444 166.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.11 171.17 7.28 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-O 122.087 0.946 . . . . 0.0 113.458 178.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -133.02 144.93 50.39 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.8 1.64 . . . . 0.0 111.567 171.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 86.9 t -102.25 144.88 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 125.084 1.354 . . . . 0.0 110.95 176.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.0 p -136.51 141.07 42.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.803 1.641 . . . . 0.0 111.433 171.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp -151.48 160.3 43.78 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.054 1.342 . . . . 0.0 113.145 -177.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.9 m -114.21 132.4 56.13 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.538 1.535 . . . . 0.0 110.198 171.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.3 mtmt -80.99 162.75 23.71 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.498 1.519 . . . . 0.0 112.352 178.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.55 -20.58 64.81 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 123.666 0.786 . . . . 0.0 112.868 166.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -69.65 -11.27 60.71 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.59 1.556 . . . . 0.0 114.055 171.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.11 -9.5 57.02 Favored Glycine 0 CA--C 1.541 1.664 0 C-N-CA 125.704 1.621 . . . . 0.0 114.932 -172.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.76 168.47 54.27 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 124.963 1.268 . . . . 0.0 112.668 171.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -124.06 152.69 42.38 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.61 1.164 . . . . 0.0 113.378 -178.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 77.8 t -134.38 143.0 39.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 126.069 1.748 . . . . 0.0 110.25 -177.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -130.42 143.61 50.87 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.95 1.3 . . . . 0.0 110.96 175.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -130.45 114.01 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 124.809 1.244 . . . . 0.0 109.587 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.29 163.34 30.14 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 124.075 0.845 . . . . 0.0 113.853 178.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 54.82 41.77 31.66 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 126.068 1.747 . . . . 0.0 113.961 173.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.0 m -73.73 136.39 25.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 O-C-N 121.358 -0.839 . . . . 0.0 111.724 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.8 mt -90.97 -28.53 17.97 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.097 1.359 . . . . 0.0 112.015 173.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 64.3 tt0 -158.41 150.53 21.68 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.847 0.859 . . . . 0.0 112.567 178.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.2 t -134.65 138.1 50.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 126.631 1.972 . . . . 0.0 109.552 171.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -137.37 136.97 38.38 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 125.31 1.444 . . . . 0.0 111.726 -179.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.12 119.69 32.02 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.651 0.78 . . . . 0.0 109.09 165.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -157.32 131.98 8.64 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.885 0.874 . . . . 0.0 112.013 -170.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 64.5 26.43 70.8 Favored Glycine 0 N--CA 1.477 1.418 0 N-CA-C 115.73 1.052 . . . . 0.0 115.73 169.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.17 19.6 71.81 Favored Glycine 0 CA--C 1.536 1.392 0 CA-C-N 118.408 1.104 . . . . 0.0 114.162 -174.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.26 167.41 22.22 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.501 1.92 . . . . 0.0 111.421 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 88.7 t -109.39 128.3 65.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 O-C-N 121.746 -0.596 . . . . 0.0 110.662 163.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -99.57 147.01 25.8 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.862 1.665 . . . . 0.0 110.334 168.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -152.3 139.07 12.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 123.495 0.718 . . . . 0.0 111.694 175.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.0 m -126.07 145.58 50.27 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.053 1.341 . . . . 0.0 110.91 -171.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 43.5 p -122.32 164.98 16.97 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 125.089 1.356 . . . . 0.0 113.232 -172.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.09 -5.18 20.52 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 171.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -79.5 4.51 15.45 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.529 1.132 . . . . 0.0 112.858 170.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 60.83 14.06 4.89 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.803 2.041 . . . . 0.0 113.987 -167.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -89.33 146.14 24.9 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.935 1.294 . . . . 0.0 111.386 175.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.2 tt0 -132.11 132.47 43.31 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.891 1.277 . . . . 0.0 110.937 175.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -111.97 154.36 25.4 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 126.277 1.831 . . . . 0.0 111.269 -179.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -138.57 136.4 35.98 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.752 1.221 . . . . 0.0 111.526 173.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -132.06 92.55 29.11 Favored Pre-proline 0 C--O 1.239 0.534 0 C-N-CA 125.409 1.484 . . . . 0.0 110.281 -173.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -68.94 147.08 67.36 Favored 'Trans proline' 0 CA--C 1.54 0.817 0 C-N-CA 123.258 2.639 . . . . 0.0 112.876 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.37 6.91 85.55 Favored Glycine 0 CA--C 1.53 1.029 0 C-N-CA 125.018 1.294 . . . . 0.0 114.699 -178.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.6 mt -108.69 163.25 13.42 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.219 1.408 . . . . 0.0 113.106 178.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.09 160.57 39.63 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 127.375 2.27 . . . . 0.0 110.278 164.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 55.6 mt -72.58 116.43 14.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 O-C-N 121.583 -0.698 . . . . 0.0 109.265 174.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.49 -38.31 4.26 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 123.951 0.786 . . . . 0.0 114.436 -175.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -153.23 145.67 24.07 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.294 1.037 . . . . 0.0 111.703 -173.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 41.4 t -134.21 112.11 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 C-N-CA 125.514 1.526 . . . . 0.0 108.17 174.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -110.55 91.45 3.66 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.546 1.539 . . . . 0.0 110.896 -175.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -69.83 -12.12 61.38 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.109 1.364 . . . . 0.0 113.463 -173.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 59.6 mtt85 -61.86 -29.79 70.42 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.661 1.184 . . . . 0.0 112.233 171.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.8 m -129.74 -8.4 4.52 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.732 1.613 . . . . 0.0 114.017 -177.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.2 25.9 67.55 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 124.606 1.098 . . . . 0.0 114.234 -177.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.6 t -94.79 127.89 46.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 CA-C-N 118.362 1.081 . . . . 0.0 111.368 -177.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 92.5 mt -108.79 112.01 38.56 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 C-N-CA 126.347 1.859 . . . . 0.0 108.404 173.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.3 m -100.42 123.86 45.19 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.504 0.722 . . . . 0.0 110.879 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.9 mt -91.07 151.83 20.87 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.082 0.953 . . . . 0.0 111.134 173.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -131.92 151.5 35.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 125.583 1.553 . . . . 0.0 110.509 178.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.9 mp0 -69.37 127.87 34.57 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.783 0.833 . . . . 0.0 111.129 176.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.71 -21.6 55.08 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.673 0.789 . . . . 0.0 112.691 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -101.44 150.51 22.96 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.255 1.422 . . . . 0.0 111.653 166.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -122.18 7.96 9.73 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.921 1.288 . . . . 0.0 112.851 177.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 . . . . . 0 C--O 1.251 1.153 0 C-N-CA 125.628 1.571 . . . . 0.0 112.572 -179.72 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.465 0 CA-C-O 118.078 -1.401 . . . . 0.0 110.64 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -60.19 161.14 38.73 Favored 'Cis proline' 0 CA--C 1.542 0.921 0 CA-C-N 119.947 1.874 . . . . 0.0 114.958 1.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . 81.86 131.11 1.33 Allowed Glycine 0 CA--C 1.535 1.292 0 C-N-CA 124.64 1.114 . . . . 0.0 113.279 -169.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 23.2 t -161.49 152.21 17.94 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.876 1.67 . . . . 0.0 110.635 -176.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 88.3 mtp -66.0 154.27 39.9 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.691 0.796 . . . . 0.0 112.92 177.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 26.5 t -144.59 149.46 35.83 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.066 1.346 . . . . 0.0 111.209 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 5.4 mpp? -66.47 153.37 43.06 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.664 1.585 . . . . 0.0 114.09 -177.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.61 -179.82 5.52 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.404 1.481 . . . . 0.0 112.72 172.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -137.29 143.42 42.13 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.516 1.526 . . . . 0.0 111.752 168.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 89.4 t -100.86 145.82 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 125.369 1.468 . . . . 0.0 111.011 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 9.7 p -133.49 143.67 38.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 125.681 1.592 . . . . 0.0 111.8 168.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp -147.91 155.53 41.69 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.684 1.594 . . . . 0.0 112.284 177.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 22.0 m -110.3 132.05 54.52 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.77 1.228 . . . . 0.0 110.854 176.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -81.09 162.02 23.9 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.161 1.784 . . . . 0.0 112.493 178.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.76 -22.98 66.96 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.04 0.936 . . . . 0.0 113.509 173.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -74.94 -7.38 53.4 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.125 1.37 . . . . 0.0 114.067 173.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.13 -6.37 79.65 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 125.262 1.411 . . . . 0.0 114.931 -175.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.52 168.65 54.48 Favored Glycine 0 CA--C 1.533 1.211 0 CA-C-N 118.421 1.11 . . . . 0.0 112.553 169.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -127.82 153.23 46.84 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.675 1.19 . . . . 0.0 112.847 -178.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 75.6 t -134.15 142.05 42.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 126.095 1.758 . . . . 0.0 109.222 -177.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -129.03 149.79 50.7 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.793 1.237 . . . . 0.0 111.861 176.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -128.81 112.33 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 125.208 1.403 . . . . 0.0 108.337 174.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.29 154.9 26.71 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 124.019 0.819 . . . . 0.0 114.234 -176.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 52.15 48.14 23.3 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 126.177 1.791 . . . . 0.0 113.737 171.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 34.8 m -75.6 135.14 27.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 O-C-N 120.833 -1.167 . . . . 0.0 112.314 -176.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 92.1 mt -80.95 -31.16 35.04 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.69 1.196 . . . . 0.0 111.823 172.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -160.21 147.13 16.0 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.989 0.916 . . . . 0.0 112.923 -174.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t -134.29 138.86 49.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 126.042 1.737 . . . . 0.0 109.472 170.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -133.1 140.75 47.81 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 126.71 2.004 . . . . 0.0 110.458 -175.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.68 139.48 48.25 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.604 1.162 . . . . 0.0 111.154 167.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -123.87 20.11 9.26 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.862 1.265 . . . . 0.0 112.593 177.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.53 -55.48 3.73 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 126.363 1.935 . . . . 0.0 113.449 -178.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.8 -13.44 82.3 Favored Glycine 0 CA--C 1.535 1.331 0 C-N-CA 124.953 1.263 . . . . 0.0 114.754 176.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -160.66 165.09 31.17 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.884 1.274 . . . . 0.0 112.669 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -110.92 145.87 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 125.162 1.385 . . . . 0.0 110.825 161.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -130.26 148.86 52.14 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.1 1.76 . . . . 0.0 110.502 173.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -154.07 141.3 12.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 123.509 0.724 . . . . 0.0 112.696 -173.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 85.1 m -122.81 136.86 55.01 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.257 1.423 . . . . 0.0 112.04 -174.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 44.7 p -101.32 166.36 10.79 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.804 1.642 . . . . 0.0 113.525 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -64.52 -12.97 50.02 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 114.252 1.205 . . . . 0.0 114.252 171.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -79.44 2.76 20.68 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.227 1.411 . . . . 0.0 113.353 175.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.8 t0 60.14 23.81 13.1 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 126.149 1.78 . . . . 0.0 113.059 -167.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -99.73 136.12 40.13 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.495 1.518 . . . . 0.0 110.582 174.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -122.31 146.0 47.72 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.295 1.438 . . . . 0.0 111.696 -177.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -128.55 156.01 43.99 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 126.094 1.758 . . . . 0.0 111.109 -174.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.38 140.24 31.97 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.844 1.258 . . . . 0.0 111.814 178.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -139.21 92.19 10.82 Favored Pre-proline 0 CA--C 1.543 0.677 0 C-N-CA 125.744 1.618 . . . . 0.0 110.89 -173.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -62.23 148.6 92.95 Favored 'Trans proline' 0 CA--C 1.537 0.638 0 C-N-CA 123.599 2.866 . . . . 0.0 113.988 176.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.25 1.46 88.17 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 125.524 1.535 . . . . 0.0 114.783 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 54.5 mt -102.52 162.69 12.72 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 118.833 1.317 . . . . 0.0 112.995 177.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.26 158.95 43.21 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 128.153 2.581 . . . . 0.0 109.876 165.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 50.8 mt -70.66 118.91 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 O-C-N 121.233 -0.917 . . . . 0.0 109.503 177.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.31 -48.55 3.73 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 124.525 1.059 . . . . 0.0 113.31 -176.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -152.98 160.14 42.99 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.921 0.888 . . . . 0.0 113.309 179.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 25.9 t -131.49 110.19 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 126.408 1.883 . . . . 0.0 107.748 171.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -102.23 100.84 11.07 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.553 1.141 . . . . 0.0 111.098 179.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -75.28 -11.88 60.16 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.176 0.99 . . . . 0.0 113.543 -177.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 37.2 mtt85 -68.21 -27.11 66.1 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.19 0.996 . . . . 0.0 112.544 172.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 93.7 p -126.45 -15.53 5.6 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.622 1.569 . . . . 0.0 114.715 -177.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.13 15.05 79.59 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 124.842 1.21 . . . . 0.0 114.093 -174.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 89.1 t -88.9 123.57 41.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 CA-C-N 119.099 1.449 . . . . 0.0 111.683 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 97.5 mt -96.78 131.71 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 126.345 1.858 . . . . 0.0 107.6 163.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 8.4 t -122.23 133.29 54.71 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.522 0.601 . . . . 0.0 111.195 177.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 25.1 mt -98.85 149.64 22.7 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.74 1.216 . . . . 0.0 111.816 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -132.31 160.45 42.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 126.094 1.758 . . . . 0.0 110.854 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -70.68 133.22 46.45 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 121.714 -0.616 . . . . 0.0 111.635 176.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.8 -24.0 59.76 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 -173.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -110.81 147.44 34.49 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.395 1.478 . . . . 0.0 110.377 165.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -124.14 32.97 5.39 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.572 1.549 . . . . 0.0 111.318 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 . . . . . 0 C--O 1.252 1.226 0 C-N-CA 127.076 2.15 . . . . 0.0 112.832 -171.693 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.574 0 CA-C-O 119.784 -0.454 . . . . 0.0 112.076 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -75.52 -15.53 19.57 Favored 'Trans proline' 0 CA--C 1.545 1.069 0 C-N-CA 124.176 3.251 . . . . 0.0 114.479 -175.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 73.81 -168.11 54.22 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 124.228 0.918 . . . . 0.0 113.488 -175.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 28.8 t -67.28 139.95 57.32 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.396 1.078 . . . . 0.0 112.33 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ptm -70.36 156.03 39.86 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.15 0.98 . . . . 0.0 112.319 173.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 41.5 t -149.8 140.26 22.42 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.15 1.38 . . . . 0.0 109.802 174.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 33.8 mtm 48.68 -120.59 1.35 Allowed 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.813 1.645 . . . . 0.0 111.962 -173.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -143.17 169.49 17.51 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.737 1.215 . . . . 0.0 112.734 173.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -126.5 133.31 51.19 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 126.613 1.965 . . . . 0.0 111.055 171.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 18.5 t -100.0 143.08 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 126.063 1.745 . . . . 0.0 110.762 -174.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -137.29 141.11 40.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 125.361 1.464 . . . . 0.0 111.379 168.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -155.02 169.77 23.32 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.221 1.409 . . . . 0.0 112.724 -176.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.0 m -122.4 127.34 49.58 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.112 1.365 . . . . 0.0 109.77 167.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 35.3 mtmt -72.77 165.49 24.73 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.046 1.338 . . . . 0.0 112.327 179.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.14 -24.07 66.94 Favored 'General case' 0 CA--C 1.551 1.006 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 173.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.7 p30 -80.25 -1.76 42.11 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.926 1.29 . . . . 0.0 113.922 173.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.77 -6.0 84.11 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 125.798 1.666 . . . . 0.0 115.627 178.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.64 137.49 18.2 Favored Glycine 0 CA--C 1.534 1.262 0 CA-C-N 119.294 1.547 . . . . 0.0 112.485 175.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.2 mtm180 -84.13 152.62 24.19 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 117.975 0.888 . . . . 0.0 112.616 175.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.5 t -136.35 140.48 43.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.894 1.678 . . . . 0.0 110.106 178.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -132.46 135.5 46.09 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.951 1.7 . . . . 0.0 110.697 177.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.5 mt -137.33 123.45 27.38 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 C-N-CA 125.054 1.342 . . . . 0.0 110.126 -173.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -95.84 169.1 26.7 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.484 1.04 . . . . 0.0 113.753 176.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 54.61 39.03 30.94 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.646 1.578 . . . . 0.0 113.861 177.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 84.8 t -75.81 114.2 15.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 125.088 1.355 . . . . 0.0 110.529 -177.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 27.4 tp -84.65 -27.84 26.85 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 126.013 1.725 . . . . 0.0 112.729 -176.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -159.67 148.61 17.81 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.79 1.236 . . . . 0.0 112.675 175.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.5 m -132.81 147.09 31.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 125.222 1.409 . . . . 0.0 111.417 170.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -143.3 131.92 22.46 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.137 1.375 . . . . 0.0 111.934 175.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.18 147.81 27.82 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.006 0.922 . . . . 0.0 110.364 159.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -134.86 35.21 3.11 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.055 1.132 . . . . 0.0 114.055 -176.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.39 31.97 58.46 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 124.521 1.057 . . . . 0.0 114.674 170.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 156.75 -9.57 0.26 Allowed Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.985 1.278 . . . . 0.0 114.985 -176.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -150.65 163.82 37.6 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.402 1.881 . . . . 0.0 110.875 176.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 82.3 t -117.93 142.63 31.49 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 C-N-CA 123.982 0.913 . . . . 0.0 111.026 167.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -122.31 140.97 52.03 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 126.388 1.875 . . . . 0.0 110.025 174.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.5 m -137.48 140.2 42.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.16 0.984 . . . . 0.0 111.118 -177.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.3 m -129.62 131.93 46.61 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.501 1.121 . . . . 0.0 110.493 -174.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.4 p -97.1 161.0 14.02 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.464 1.106 . . . . 0.0 111.426 174.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.96 -3.86 14.48 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.928 1.455 . . . . 0.0 114.928 176.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -80.83 6.06 14.18 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.071 1.349 . . . . 0.0 113.588 171.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 62.72 10.44 4.2 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 127.0 2.12 . . . . 0.0 114.484 -169.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -80.9 133.3 35.53 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.438 1.095 . . . . 0.0 110.226 170.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -131.89 145.61 51.63 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.561 1.544 . . . . 0.0 110.877 -177.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -133.14 155.32 49.49 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.677 1.591 . . . . 0.0 111.395 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -138.54 137.42 37.03 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.719 1.208 . . . . 0.0 110.935 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -137.54 98.11 10.08 Favored Pre-proline 0 CA--C 1.545 0.787 0 C-N-CA 125.033 1.333 . . . . 0.0 110.926 -172.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -63.17 150.03 89.74 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 123.424 2.749 . . . . 0.0 114.142 175.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.5 8.0 81.34 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 125.121 1.343 . . . . 0.0 114.64 175.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.9 mt -117.89 162.03 18.79 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.181 1.392 . . . . 0.0 112.555 -176.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.1 159.19 42.72 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 127.724 2.409 . . . . 0.0 109.541 167.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 20.1 mt -71.86 123.88 27.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 O-C-N 121.05 -1.031 . . . . 0.0 108.961 177.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -103.64 -39.85 2.47 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 124.83 1.205 . . . . 0.0 114.453 -174.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -151.8 144.7 24.44 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 118.385 1.093 . . . . 0.0 111.792 -174.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.1 t -135.97 123.3 34.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 125.734 1.613 . . . . 0.0 109.345 175.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -131.35 100.64 5.24 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.349 1.06 . . . . 0.0 111.089 -174.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -75.42 -10.97 59.93 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.251 1.42 . . . . 0.0 113.146 -171.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -64.9 -25.83 68.06 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.858 1.263 . . . . 0.0 112.17 173.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.5 m -133.12 1.39 3.52 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.082 1.753 . . . . 0.0 113.465 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.08 23.94 76.0 Favored Glycine 0 CA--C 1.536 1.403 0 C-N-CA 125.077 1.322 . . . . 0.0 114.983 -177.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.7 t -86.36 135.0 26.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 CA-C-N 118.872 1.336 . . . . 0.0 111.823 -174.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 86.3 mt -117.0 130.99 71.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 127.113 2.165 . . . . 0.0 108.278 167.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.9 t -128.86 128.92 44.82 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.316 1.046 . . . . 0.0 111.166 -176.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.8 mp -96.41 151.25 19.73 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.695 1.198 . . . . 0.0 110.767 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -131.5 158.96 43.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 126.349 1.86 . . . . 0.0 110.642 177.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -67.59 133.4 49.35 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.447 -0.783 . . . . 0.0 111.588 177.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -74.42 -14.47 60.85 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 -169.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -136.37 138.86 42.03 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.168 1.787 . . . . 0.0 110.499 167.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -134.19 6.38 3.6 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 125.536 1.534 . . . . 0.0 113.419 -175.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.4 ptt85 . . . . . 0 C--O 1.252 1.201 0 C-N-CA 126.606 1.962 . . . . 0.0 113.711 178.287 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.67 0 CA-C-O 119.722 -0.488 . . . . 0.0 112.092 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -64.38 -26.73 63.17 Favored 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 124.122 3.214 . . . . 0.0 115.243 -176.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . 177.86 -140.87 4.91 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 124.938 1.256 . . . . 0.0 112.256 -178.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 34.6 t -66.44 -31.2 71.8 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.038 0.935 . . . . 0.0 112.717 173.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 5.0 ppp? -68.92 158.75 33.99 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.861 1.264 . . . . 0.0 113.198 176.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 27.9 p -155.23 162.28 40.95 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.206 1.402 . . . . 0.0 112.226 177.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -73.54 150.18 41.69 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.237 1.015 . . . . 0.0 112.118 174.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.18 171.87 13.79 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.784 1.234 . . . . 0.0 112.859 178.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -122.82 141.62 51.65 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.466 1.106 . . . . 0.0 111.372 160.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 24.1 t -98.55 141.99 15.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 125.547 1.539 . . . . 0.0 110.218 177.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.5 p -127.48 139.29 52.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 124.968 1.307 . . . . 0.0 111.285 168.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 pp -149.96 160.36 43.67 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.993 1.317 . . . . 0.0 112.887 -175.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 13.5 m -110.18 130.87 55.47 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.797 1.239 . . . . 0.0 109.724 172.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -77.1 163.48 26.58 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.271 1.428 . . . . 0.0 112.468 176.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.36 -25.12 65.62 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 171.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -76.03 -5.17 45.17 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.553 1.541 . . . . 0.0 114.168 172.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.83 -6.94 72.09 Favored Glycine 0 CA--C 1.539 1.563 0 C-N-CA 125.434 1.492 . . . . 0.0 115.691 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.55 162.78 53.42 Favored Glycine 0 CA--C 1.538 1.5 0 CA-C-N 118.499 1.149 . . . . 0.0 112.165 170.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -118.38 152.81 35.13 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.191 0.996 . . . . 0.0 113.32 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 99.8 t -135.99 141.94 40.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 125.755 1.622 . . . . 0.0 109.62 -174.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -123.29 142.51 50.87 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.807 1.243 . . . . 0.0 111.58 171.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 63.3 mt -134.01 107.63 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 125.325 1.45 . . . . 0.0 108.778 -174.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.0 178.05 53.68 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 123.98 0.8 . . . . 0.0 113.758 177.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 58.96 32.56 22.38 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 169.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 72.3 t -78.9 124.71 37.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 125.809 1.644 . . . . 0.0 112.354 -175.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 78.3 mt -84.4 -37.92 20.89 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.607 1.163 . . . . 0.0 112.274 170.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -156.11 148.99 24.1 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 118.929 0.786 . . . . 0.0 113.039 -171.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 38.9 t -135.33 135.93 51.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 126.508 1.923 . . . . 0.0 109.906 175.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -136.66 125.3 23.77 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.815 1.246 . . . . 0.0 111.165 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.67 126.85 37.94 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.631 1.172 . . . . 0.0 110.26 166.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -158.2 146.95 19.05 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.825 0.85 . . . . 0.0 112.767 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.89 -79.49 0.13 Allowed Glycine 0 CA--C 1.538 1.526 0 C-N-CA 125.539 1.543 . . . . 0.0 113.551 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -158.25 24.67 0.39 Allowed Glycine 0 CA--C 1.533 1.18 0 C-N-CA 127.04 2.257 . . . . 0.0 112.721 176.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.09 165.26 29.61 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.139 1.375 . . . . 0.0 112.524 -170.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 50.2 t -115.75 137.75 48.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 123.407 0.683 . . . . 0.0 110.74 164.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -116.99 150.82 37.95 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 126.034 1.734 . . . . 0.0 111.223 174.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.73 142.57 40.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 125.951 1.7 . . . . 0.0 110.907 -176.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 86.8 m -123.98 133.21 53.74 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.788 1.235 . . . . 0.0 110.302 173.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 40.2 p -104.26 164.6 11.61 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.934 1.293 . . . . 0.0 112.737 178.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 pp -64.27 -15.97 61.17 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 177.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -76.66 1.61 16.5 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.352 1.461 . . . . 0.0 113.642 172.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 24.6 t0 60.66 19.04 9.04 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 127.007 2.123 . . . . 0.0 113.84 -169.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -84.86 143.87 28.77 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 124.602 1.161 . . . . 0.0 110.513 170.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -122.32 148.36 45.13 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.802 1.241 . . . . 0.0 112.042 -178.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -134.08 154.37 51.22 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.146 1.378 . . . . 0.0 111.432 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -140.95 138.22 33.64 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.003 1.321 . . . . 0.0 112.188 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -139.05 92.27 10.96 Favored Pre-proline 0 CA--C 1.544 0.746 0 C-N-CA 125.51 1.524 . . . . 0.0 110.785 -173.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -69.66 149.7 67.84 Favored 'Trans proline' 0 CA--C 1.536 0.613 0 C-N-CA 123.08 2.52 . . . . 0.0 112.646 178.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.53 5.07 85.1 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 125.59 1.567 . . . . 0.0 114.684 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 76.8 mt -109.73 162.46 14.43 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.943 1.297 . . . . 0.0 113.605 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.5 159.08 42.94 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 127.774 2.43 . . . . 0.0 109.38 166.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 37.6 mt -73.91 121.97 26.07 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.848 0 O-C-N 121.246 -0.909 . . . . 0.0 108.952 178.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.91 -46.59 3.1 Favored Glycine 0 CA--C 1.53 1.031 0 C-N-CA 124.723 1.154 . . . . 0.0 114.405 -175.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 7.1 ptt-85 -157.64 164.27 37.39 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.405 1.082 . . . . 0.0 113.057 177.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 5.0 t -135.12 122.65 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 123.959 0.903 . . . . 0.0 110.033 169.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -100.84 88.08 3.48 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.164 1.385 . . . . 0.0 110.132 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -68.2 -10.3 53.39 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 120.911 -1.118 . . . . 0.0 112.887 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 48.3 mtm105 -59.47 -24.96 64.01 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 126.066 1.746 . . . . 0.0 113.637 164.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.1 t -136.63 -16.54 1.53 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.268 1.427 . . . . 0.0 114.072 -173.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.49 22.36 58.61 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 124.953 1.264 . . . . 0.0 113.995 -175.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 65.1 t -93.95 122.16 45.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 124.191 0.996 . . . . 0.0 111.374 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 86.1 mt -96.68 127.43 48.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 C-N-CA 125.74 1.616 . . . . 0.0 108.18 166.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 30.1 t -116.38 125.35 51.94 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.992 0.917 . . . . 0.0 111.486 -177.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.9 mp -101.28 145.97 28.16 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.33 1.452 . . . . 0.0 110.73 177.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -134.79 160.99 41.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 126.643 1.977 . . . . 0.0 110.493 -178.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 28.5 mp0 -65.6 131.44 46.38 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.247 -0.908 . . . . 0.0 111.995 178.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -70.47 -13.61 62.19 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -176.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -133.22 135.89 45.28 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.271 1.829 . . . . 0.0 109.342 162.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -85.59 4.75 34.77 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.479 1.289 . . . . 0.0 114.479 -172.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 17.9 ptm180 . . . . . 0 C--O 1.255 1.372 0 C-N-CA 126.294 1.838 . . . . 0.0 112.915 -179.077 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.515 0 N-CA-C 111.423 -0.671 . . . . 0.0 111.423 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -67.96 154.0 73.87 Favored 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 123.788 2.992 . . . . 0.0 112.411 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -86.06 -19.73 56.86 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 124.396 0.998 . . . . 0.0 114.374 177.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 33.8 t 63.36 154.78 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 127.421 2.288 . . . . 0.0 115.124 -174.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ptm -77.84 -10.5 59.59 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 167.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 64.6 m 61.69 163.42 0.08 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 127.986 2.515 . . . . 0.0 114.752 -174.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 5.6 mpp? -67.21 150.2 49.41 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.144 0.978 . . . . 0.0 113.317 -178.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.11 -172.32 2.71 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 125.095 1.358 . . . . 0.0 112.368 171.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -128.96 154.74 46.28 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.568 1.147 . . . . 0.0 111.548 161.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.2 t -100.74 146.45 9.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.316 1.046 . . . . 0.0 110.384 171.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.5 p -134.19 141.73 42.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 125.139 1.376 . . . . 0.0 111.456 170.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 pp -145.08 156.22 43.78 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.954 1.302 . . . . 0.0 112.177 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.7 m -111.21 130.66 55.58 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.888 1.275 . . . . 0.0 110.443 177.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -80.15 162.49 24.7 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 126.038 1.735 . . . . 0.0 112.049 178.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.23 -23.24 66.55 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.123 0.969 . . . . 0.0 113.167 173.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -75.37 -6.01 47.79 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.321 1.448 . . . . 0.0 113.86 172.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.84 -7.73 69.0 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 125.757 1.646 . . . . 0.0 114.967 -176.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.72 168.23 54.68 Favored Glycine 0 CA--C 1.538 1.471 0 CA-C-N 118.312 1.056 . . . . 0.0 112.815 170.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -127.34 152.64 47.2 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.178 0.991 . . . . 0.0 113.379 -176.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.0 t -131.93 141.86 44.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 126.488 1.915 . . . . 0.0 109.754 -178.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -128.09 147.67 50.54 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.25 1.42 . . . . 0.0 111.636 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.0 mt -131.56 101.95 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 125.261 1.424 . . . . 0.0 108.855 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.26 157.14 46.11 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 124.36 0.981 . . . . 0.0 113.711 -178.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 52.92 46.32 27.01 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 126.327 1.851 . . . . 0.0 114.128 173.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.0 p -73.81 135.34 27.74 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 124.995 1.318 . . . . 0.0 112.385 -177.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.4 mt -90.76 -39.62 12.29 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.747 1.219 . . . . 0.0 112.539 175.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 73.8 tt0 -154.23 146.38 23.73 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.759 -0.588 . . . . 0.0 112.061 -173.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.4 t -135.92 138.33 47.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 125.656 1.583 . . . . 0.0 110.297 175.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -134.54 137.05 43.49 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.297 1.439 . . . . 0.0 111.434 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -123.75 120.93 34.12 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.656 1.582 . . . . 0.0 110.668 176.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -156.95 141.08 16.39 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.55 1.14 . . . . 0.0 111.127 -176.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.5 21.49 57.59 Favored Glycine 0 CA--C 1.543 1.811 0 N-CA-C 115.189 0.836 . . . . 0.0 115.189 174.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.95 24.17 67.38 Favored Glycine 0 CA--C 1.538 1.48 0 C-N-CA 124.566 1.079 . . . . 0.0 114.708 -173.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.65 142.05 41.17 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 118.769 1.284 . . . . 0.0 112.145 175.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.8 t -106.85 137.6 36.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 123.469 0.708 . . . . 0.0 111.77 179.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -116.64 149.85 39.07 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.644 1.977 . . . . 0.0 110.211 175.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.7 t -139.48 142.05 33.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 125.222 1.409 . . . . 0.0 110.493 -174.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.4 m -129.87 135.59 48.55 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.098 1.359 . . . . 0.0 111.045 177.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.8 p -124.52 166.65 15.68 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.734 1.214 . . . . 0.0 113.269 -174.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -62.92 -14.08 42.39 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 115.606 1.706 . . . . 0.0 115.606 -177.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -79.61 5.67 12.54 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.964 1.306 . . . . 0.0 113.492 174.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.6 t0 60.02 26.28 15.59 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.982 2.113 . . . . 0.0 112.908 -168.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -93.87 153.32 18.32 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.185 1.394 . . . . 0.0 112.179 173.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -131.87 144.98 51.27 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 125.214 1.406 . . . . 0.0 111.581 177.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -137.1 152.15 49.69 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.923 1.689 . . . . 0.0 111.084 -173.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -145.85 141.28 27.73 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.855 0.862 . . . . 0.0 112.603 -178.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -141.11 94.12 7.91 Favored Pre-proline 0 CA--C 1.545 0.772 0 C-N-CA 126.109 1.764 . . . . 0.0 111.11 -170.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -63.07 151.71 83.34 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 123.48 2.787 . . . . 0.0 113.456 172.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.75 9.08 83.52 Favored Glycine 0 CA--C 1.53 1.029 0 C-N-CA 125.352 1.453 . . . . 0.0 115.051 177.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 72.5 mt -118.76 161.87 19.39 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.308 1.443 . . . . 0.0 113.561 -177.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -144.54 159.22 43.13 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 127.123 2.169 . . . . 0.0 109.753 166.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.0 mt -71.43 117.01 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 O-C-N 121.035 -1.04 . . . . 0.0 108.756 177.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.94 -35.88 8.78 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 125.308 1.432 . . . . 0.0 113.94 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -159.57 160.53 34.54 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 118.086 0.943 . . . . 0.0 112.191 170.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.1 t -128.72 124.08 60.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 124.067 0.947 . . . . 0.0 108.988 163.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -116.84 107.73 14.98 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.482 1.513 . . . . 0.0 110.333 -176.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -82.34 -12.28 58.07 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.778 1.231 . . . . 0.0 112.892 -174.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.4 mtm180 -72.29 -40.92 67.19 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.579 1.152 . . . . 0.0 110.836 175.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 80.4 p -96.23 -22.98 16.92 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.839 1.656 . . . . 0.0 113.811 176.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.9 41.75 14.03 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 124.594 1.092 . . . . 0.0 113.012 -176.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 76.7 t -125.76 130.16 72.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 124.629 1.172 . . . . 0.0 112.263 -173.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.8 mt -97.21 128.14 48.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 126.646 1.978 . . . . 0.0 107.884 166.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.0 t -119.46 128.54 54.1 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.831 0.852 . . . . 0.0 111.111 -177.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.4 mt -100.65 147.5 25.91 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.375 1.07 . . . . 0.0 111.96 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -133.28 161.02 42.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 126.639 1.976 . . . . 0.0 110.681 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -67.75 128.02 34.95 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 121.452 -0.78 . . . . 0.0 111.319 177.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -66.18 -27.76 68.25 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 -171.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -141.24 142.85 33.91 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.949 1.7 . . . . 0.0 110.452 169.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -146.29 11.49 1.17 Allowed 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 124.563 1.145 . . . . 0.0 113.826 -173.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 . . . . . 0 C--O 1.253 1.262 0 C-N-CA 126.463 1.905 . . . . 0.0 112.661 -175.766 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.374 0 CA-C-O 120.017 -0.324 . . . . 0.0 112.36 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -60.52 148.96 89.22 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 123.929 3.086 . . . . 0.0 114.132 -179.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -77.27 -22.58 70.42 Favored Glycine 0 CA--C 1.537 1.465 0 C-N-CA 123.579 0.609 . . . . 0.0 113.54 171.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 56.3 p -76.96 145.66 38.0 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.426 1.49 . . . . 0.0 113.124 176.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 59.0 mtp 62.86 167.03 0.13 Allowed 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 127.441 2.296 . . . . 0.0 116.05 174.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 26.9 p -156.39 172.78 17.91 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.834 1.654 . . . . 0.0 111.695 -174.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -61.8 165.35 5.33 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.961 1.305 . . . . 0.0 112.87 175.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.39 161.21 28.05 Favored 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 -159.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.79 127.82 53.89 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 125.125 1.37 . . . . 0.0 110.272 165.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 79.2 t -101.16 139.57 22.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 125.562 1.545 . . . . 0.0 109.614 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 14.6 p -130.03 145.11 36.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 125.449 1.499 . . . . 0.0 112.763 174.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp -147.8 158.24 43.93 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.603 1.561 . . . . 0.0 112.267 178.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 32.7 m -114.91 131.3 56.92 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.842 1.257 . . . . 0.0 110.859 175.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -82.67 161.66 22.09 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.415 1.886 . . . . 0.0 112.813 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.27 -23.05 66.94 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 174.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 44.6 p30 -79.43 -1.12 35.83 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.398 1.079 . . . . 0.0 113.906 174.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.45 -6.07 84.0 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 125.793 1.663 . . . . 0.0 115.568 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.7 170.81 54.95 Favored Glycine 0 CA--C 1.537 1.42 0 CA-C-N 118.941 1.371 . . . . 0.0 113.18 171.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 70.4 mtm180 -125.84 155.2 41.53 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.677 1.191 . . . . 0.0 112.645 177.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 68.0 t -134.08 141.4 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 126.001 1.72 . . . . 0.0 109.593 -178.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -131.98 146.02 51.83 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.09 1.356 . . . . 0.0 111.799 178.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -130.95 121.14 49.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 125.46 1.504 . . . . 0.0 108.814 174.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.68 166.72 22.85 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 125.144 1.354 . . . . 0.0 114.352 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 52.36 39.39 27.32 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 125.867 1.667 . . . . 0.0 113.336 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -69.7 117.43 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 C-N-CA 125.296 1.438 . . . . 0.0 110.701 -178.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 77.3 mt -78.19 -34.9 49.24 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.388 1.075 . . . . 0.0 111.743 171.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -155.14 143.02 19.97 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.155 0.982 . . . . 0.0 112.189 178.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 7.3 p -125.27 139.77 50.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 125.931 1.692 . . . . 0.0 109.307 167.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 78.4 mtm-85 -136.3 141.85 43.86 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.787 1.635 . . . . 0.0 110.383 -169.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -131.5 123.03 27.17 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 125.282 1.433 . . . . 0.0 110.748 -177.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -162.48 143.63 10.26 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.872 0.869 . . . . 0.0 111.864 -173.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.11 21.76 59.74 Favored Glycine 0 CA--C 1.544 1.901 0 C-N-CA 124.089 0.852 . . . . 0.0 115.058 175.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.25 25.75 60.96 Favored Glycine 0 CA--C 1.537 1.433 0 CA-C-N 118.365 1.082 . . . . 0.0 114.547 -174.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.47 157.54 44.37 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.167 1.387 . . . . 0.0 112.051 177.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 68.5 t -115.94 146.79 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 124.424 1.09 . . . . 0.0 112.206 177.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -130.13 152.99 48.97 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.155 1.782 . . . . 0.0 111.391 171.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 16.7 m -130.32 152.89 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 125.74 1.616 . . . . 0.0 111.559 176.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 85.4 m -132.06 126.31 33.51 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.255 1.422 . . . . 0.0 110.121 173.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 17.6 p -94.54 170.25 9.61 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.213 1.005 . . . . 0.0 113.538 -176.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 59.2 tp -50.09 -30.17 10.47 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 127.191 2.197 . . . . 0.0 114.082 169.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -92.41 10.82 28.38 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.444 1.498 . . . . 0.0 113.281 -178.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 59.3 18.53 6.76 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.562 1.945 . . . . 0.0 114.393 -171.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -76.73 143.57 39.86 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 120.9 -1.125 . . . . 0.0 110.528 172.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -121.73 145.34 48.13 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 124.631 1.173 . . . . 0.0 112.604 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -138.28 154.37 49.04 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.608 1.563 . . . . 0.0 110.639 171.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.38 144.15 34.36 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.822 1.249 . . . . 0.0 112.732 -177.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -141.42 96.55 6.98 Favored Pre-proline 0 CA--C 1.544 0.716 0 C-N-CA 125.597 1.559 . . . . 0.0 111.329 -168.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -64.52 148.78 90.64 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 123.434 2.756 . . . . 0.0 113.317 176.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.28 5.4 89.65 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 125.198 1.38 . . . . 0.0 114.855 177.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 42.5 mt -109.48 163.54 13.33 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.933 1.293 . . . . 0.0 113.581 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.58 157.51 44.37 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 127.715 2.406 . . . . 0.0 109.716 166.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 38.3 mt -69.28 123.19 22.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 O-C-N 121.184 -0.948 . . . . 0.0 109.059 176.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -105.9 -44.11 1.45 Allowed Glycine 0 C--N 1.34 0.757 0 N-CA-C 115.602 1.001 . . . . 0.0 115.602 -168.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -150.51 143.83 24.96 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.511 1.156 . . . . 0.0 111.677 -177.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 47.6 t -137.67 130.27 41.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 125.416 1.486 . . . . 0.0 109.067 -176.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -131.0 110.57 11.33 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 122.151 0.977 . . . . 0.0 111.626 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -81.25 -13.8 58.13 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.327 1.451 . . . . 0.0 112.565 -172.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 35.4 mtm180 -72.74 -23.8 60.88 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.991 1.316 . . . . 0.0 112.403 174.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 41.8 m -123.5 -14.11 7.42 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.536 1.534 . . . . 0.0 114.221 -177.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.58 29.38 63.75 Favored Glycine 0 CA--C 1.539 1.545 0 CA-C-N 119.372 0.987 . . . . 0.0 113.667 -176.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 86.0 t -104.99 138.87 27.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 125.403 1.481 . . . . 0.0 111.123 -176.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 71.8 mt -123.63 138.09 54.62 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 C-N-CA 126.397 1.879 . . . . 0.0 108.968 172.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 32.4 t -127.12 132.91 50.49 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.72 1.208 . . . . 0.0 111.606 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 27.0 mt -93.62 153.1 18.58 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.959 1.303 . . . . 0.0 112.144 176.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -131.02 158.97 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 125.981 1.712 . . . . 0.0 110.672 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -68.67 131.79 45.78 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 121.764 -0.585 . . . . 0.0 111.117 173.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -68.24 -14.57 63.09 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 -172.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 41.1 mm-40 -129.11 129.23 44.93 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.711 1.604 . . . . 0.0 108.807 156.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -143.01 18.97 1.95 Allowed 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 124.457 1.103 . . . . 0.0 113.353 -171.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 46.9 mtm105 . . . . . 0 C--O 1.253 1.272 0 C-N-CA 126.189 1.796 . . . . 0.0 113.233 -179.461 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.534 0 CA-C-O 119.694 -0.503 . . . . 0.0 112.339 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -60.54 145.44 98.78 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 124.035 3.157 . . . . 0.0 113.428 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -67.63 -20.71 72.27 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 124.075 0.845 . . . . 0.0 114.683 -177.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 29.9 t -75.09 -27.92 60.1 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.752 1.221 . . . . 0.0 113.567 174.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.7 mtp -84.08 154.62 23.1 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.16 1.384 . . . . 0.0 112.776 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 26.7 p -155.25 153.92 31.38 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.861 1.264 . . . . 0.0 112.264 174.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -120.18 164.18 16.61 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 126.558 1.943 . . . . 0.0 110.655 172.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.27 172.9 11.62 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.31 0.644 . . . . 0.0 112.183 177.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 56.2 pttt -127.18 150.05 49.69 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.994 0.918 . . . . 0.0 111.24 162.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.7 t -104.02 139.0 26.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 125.462 1.505 . . . . 0.0 110.335 173.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.3 p -131.71 146.49 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 125.471 1.509 . . . . 0.0 111.383 172.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 pp -144.4 155.57 43.82 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.057 1.343 . . . . 0.0 112.292 177.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.3 m -117.29 127.95 54.58 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.915 1.286 . . . . 0.0 110.131 172.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -79.95 165.17 22.89 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.973 1.709 . . . . 0.0 112.278 178.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.29 -26.08 68.21 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 178.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 55.8 p30 -81.64 -0.67 43.57 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 125.168 1.387 . . . . 0.0 114.315 174.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.8 -1.63 87.98 Favored Glycine 0 CA--C 1.539 1.542 0 C-N-CA 125.537 1.541 . . . . 0.0 115.696 -177.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.75 160.98 54.19 Favored Glycine 0 CA--C 1.532 1.149 0 CA-C-N 119.451 1.626 . . . . 0.0 112.596 171.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -129.92 151.07 50.89 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.808 1.243 . . . . 0.0 113.044 -177.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 41.4 t -137.15 141.01 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 125.911 1.684 . . . . 0.0 109.664 -177.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -130.13 146.66 51.79 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.915 1.286 . . . . 0.0 112.144 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -131.21 109.5 16.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 126.283 1.833 . . . . 0.0 108.158 178.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.81 158.56 28.42 Favored Glycine 0 CA--C 1.533 1.205 0 C-N-CA 124.045 0.831 . . . . 0.0 114.595 -175.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 52.68 51.41 16.08 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 126.292 1.837 . . . . 0.0 113.641 172.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.5 t -73.92 126.67 35.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 127.942 2.497 . . . . 0.0 111.926 -178.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.8 mt -88.42 -28.85 20.63 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.342 1.057 . . . . 0.0 113.213 167.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -155.33 140.94 17.93 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.069 0.948 . . . . 0.0 111.986 -173.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.8 p -141.5 148.23 21.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 125.036 1.335 . . . . 0.0 110.302 169.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.6 ptt85 -155.37 141.12 18.05 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.94 0.896 . . . . 0.0 113.313 177.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.11 117.37 29.78 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.875 1.67 . . . . 0.0 108.899 166.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -154.9 115.02 3.81 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.096 0.959 . . . . 0.0 111.571 -161.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.74 27.98 73.56 Favored Glycine 0 CA--C 1.54 1.655 0 O-C-N 121.018 -1.051 . . . . 0.0 114.897 174.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.92 17.29 67.93 Favored Glycine 0 CA--C 1.535 1.3 0 CA-C-N 118.515 1.158 . . . . 0.0 114.97 -177.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.68 153.06 44.44 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.753 1.621 . . . . 0.0 111.459 176.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.2 t -92.82 138.92 18.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-N 118.149 0.431 . . . . 0.0 110.581 164.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 72.0 mtt85 -125.25 144.77 50.3 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.456 1.503 . . . . 0.0 110.237 171.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.3 p -145.03 143.96 22.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.432 1.093 . . . . 0.0 111.588 -172.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.2 m -128.81 131.53 47.76 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.694 1.597 . . . . 0.0 110.91 -175.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 41.3 p -96.38 169.06 10.18 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 125.038 1.335 . . . . 0.0 112.729 178.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -61.47 -14.92 32.67 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 114.886 1.439 . . . . 0.0 114.886 173.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -79.54 -2.98 44.77 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.671 1.188 . . . . 0.0 113.297 174.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 61.23 13.89 5.18 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.036 1.734 . . . . 0.0 113.951 -162.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -78.55 146.08 34.46 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.448 1.099 . . . . 0.0 110.66 169.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -131.16 152.85 50.03 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 125.189 1.396 . . . . 0.0 113.281 -172.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 -138.59 155.05 48.68 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.477 1.511 . . . . 0.0 111.519 178.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -139.28 141.89 37.75 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 125.137 1.375 . . . . 0.0 111.899 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -140.14 91.68 9.94 Favored Pre-proline 0 CA--C 1.546 0.813 0 C-N-CA 125.806 1.642 . . . . 0.0 110.961 -172.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -67.69 148.97 78.74 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 123.522 2.815 . . . . 0.0 112.918 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.13 -0.1 89.94 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 125.113 1.34 . . . . 0.0 114.981 -177.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 49.0 mt -103.92 163.39 12.39 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.813 1.307 . . . . 0.0 113.389 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.18 162.55 35.0 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 127.713 2.405 . . . . 0.0 110.099 163.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 40.4 mt -71.0 121.3 20.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 O-C-N 121.148 -0.97 . . . . 0.0 109.079 175.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.58 -46.82 2.44 Favored Glycine 0 N--CA 1.467 0.732 0 C-N-CA 124.93 1.252 . . . . 0.0 114.033 -172.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -149.1 155.9 41.41 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.971 1.308 . . . . 0.0 111.424 -178.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.5 t -139.53 126.98 25.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 124.061 0.944 . . . . 0.0 110.193 166.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -105.77 92.88 4.36 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.899 1.68 . . . . 0.0 110.218 175.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -68.21 -18.37 64.56 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.225 -0.922 . . . . 0.0 112.761 -178.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 43.3 mtt85 -60.26 -27.27 67.11 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.102 1.361 . . . . 0.0 112.769 170.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 31.1 m -128.5 -9.42 5.13 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.267 1.427 . . . . 0.0 114.62 -173.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.83 21.13 79.03 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.477 1.037 . . . . 0.0 114.61 -177.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 53.8 t -100.46 119.93 49.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 CA-C-N 119.118 1.459 . . . . 0.0 111.266 -176.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 12.7 mt -97.8 135.42 32.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 126.651 1.98 . . . . 0.0 108.146 168.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.1 t -126.61 130.46 50.53 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.691 1.196 . . . . 0.0 111.512 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.8 mt -96.24 154.27 17.35 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.675 1.19 . . . . 0.0 112.564 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -133.25 156.86 42.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 126.272 1.829 . . . . 0.0 110.654 176.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -75.08 133.32 41.59 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.083 -1.01 . . . . 0.0 112.016 175.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.64 -9.72 59.25 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.447 1.099 . . . . 0.0 113.924 -175.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 89.3 mm-40 -116.44 136.05 53.32 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 126.213 1.805 . . . . 0.0 109.905 171.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -127.9 31.75 5.06 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 124.981 1.313 . . . . 0.0 112.163 -172.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 . . . . . 0 C--O 1.254 1.304 0 C-N-CA 126.497 1.919 . . . . 0.0 113.189 -172.063 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.618 0 CA-C-O 119.417 -0.657 . . . . 0.0 112.02 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -73.13 -27.49 7.94 Favored 'Cis proline' 0 C--N 1.353 0.787 0 CA-C-N 118.616 1.208 . . . . 0.0 113.708 -1.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -79.77 170.76 54.26 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 124.703 1.144 . . . . 0.0 113.536 174.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 97.2 p -136.57 0.22 2.46 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.094 1.357 . . . . 0.0 114.122 -177.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 72.5 mtm -73.73 161.36 30.32 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.533 1.133 . . . . 0.0 112.282 174.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 48.9 t -136.1 137.99 41.6 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.034 1.334 . . . . 0.0 109.58 169.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -118.82 154.62 32.58 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.565 1.146 . . . . 0.0 113.486 -164.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.43 176.58 9.58 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.981 1.312 . . . . 0.0 112.362 171.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -125.17 146.05 49.68 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 126.046 1.738 . . . . 0.0 111.242 163.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 54.5 t -105.13 143.67 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 125.117 1.367 . . . . 0.0 110.459 177.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 10.4 p -136.88 141.88 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.598 1.559 . . . . 0.0 111.694 171.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -153.18 160.02 42.77 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.505 1.522 . . . . 0.0 112.879 -177.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 15.2 m -114.15 128.42 56.37 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.272 1.429 . . . . 0.0 109.71 170.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -77.21 163.53 26.45 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.005 1.722 . . . . 0.0 112.209 178.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.0 -26.41 67.58 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.089 0.956 . . . . 0.0 113.533 175.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -78.11 -1.91 34.81 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 125.021 1.328 . . . . 0.0 113.848 173.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.69 -4.86 80.91 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 125.939 1.733 . . . . 0.0 115.775 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.51 154.17 43.64 Favored Glycine 0 CA--C 1.534 1.222 0 CA-C-N 118.869 1.335 . . . . 0.0 112.535 172.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -110.56 150.23 29.24 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.128 0.971 . . . . 0.0 113.195 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 97.6 t -131.44 140.44 48.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 126.152 1.781 . . . . 0.0 109.792 -178.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -130.62 143.12 50.54 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.289 1.436 . . . . 0.0 111.383 175.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 37.4 mt -131.76 124.23 53.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 125.019 1.328 . . . . 0.0 108.974 -178.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -95.41 166.39 25.46 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 124.376 0.989 . . . . 0.0 114.302 176.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 53.16 44.75 29.87 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 126.012 1.725 . . . . 0.0 113.627 176.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 81.7 t -76.03 119.83 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 124.91 1.284 . . . . 0.0 111.633 -176.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 98.6 mt -80.93 -31.57 34.98 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.958 1.303 . . . . 0.0 113.054 173.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -159.55 146.21 16.49 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 118.706 0.684 . . . . 0.0 111.927 -170.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 19.7 m -134.63 153.54 35.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 124.622 1.169 . . . . 0.0 111.842 166.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -144.63 131.22 19.94 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.726 1.21 . . . . 0.0 111.531 174.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.36 98.25 8.75 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 156.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -151.29 136.14 17.28 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.463 1.105 . . . . 0.0 112.059 -166.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.52 27.11 72.22 Favored Glycine 0 CA--C 1.536 1.392 0 N-CA-C 115.176 0.831 . . . . 0.0 115.176 176.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.74 21.47 76.71 Favored Glycine 0 CA--C 1.536 1.377 0 CA-C-N 118.354 1.077 . . . . 0.0 114.725 -174.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.55 167.51 22.85 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.333 1.853 . . . . 0.0 111.536 -176.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 73.2 t -99.42 123.81 52.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 O-C-N 121.81 -0.556 . . . . 0.0 111.639 158.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -89.15 148.29 23.74 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.51 1.524 . . . . 0.0 111.329 165.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 10.5 t -135.74 143.61 35.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 125.871 1.669 . . . . 0.0 109.668 171.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 23.5 m -125.87 132.1 52.25 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.147 1.379 . . . . 0.0 110.087 174.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 30.4 p -101.66 165.99 10.93 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.328 1.051 . . . . 0.0 113.446 -178.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 69.1 tp -49.51 -28.81 5.85 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 127.165 2.186 . . . . 0.0 113.945 174.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -86.63 9.1 19.68 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 126.04 1.736 . . . . 0.0 113.752 -178.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 62.02 13.48 5.7 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 127.003 2.121 . . . . 0.0 114.878 -173.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -79.03 161.29 26.7 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.203 1.001 . . . . 0.0 111.808 168.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -133.83 153.93 51.38 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.761 1.224 . . . . 0.0 113.166 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -130.2 154.17 47.82 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 126.115 1.766 . . . . 0.0 110.219 172.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.06 136.25 31.84 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.277 1.031 . . . . 0.0 111.307 175.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -132.2 90.71 33.89 Favored Pre-proline 0 CA--C 1.54 0.593 0 C-N-CA 125.351 1.46 . . . . 0.0 110.726 -173.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -63.3 144.08 90.6 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 122.882 2.388 . . . . 0.0 113.166 -178.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.04 -1.17 88.98 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 125.65 1.595 . . . . 0.0 115.151 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 50.7 mt -97.68 164.25 12.49 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 119.307 1.554 . . . . 0.0 113.844 176.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.89 164.87 29.08 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 127.649 2.38 . . . . 0.0 110.449 160.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 22.6 mt -72.93 120.43 21.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 O-C-N 121.387 -0.821 . . . . 0.0 109.434 177.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -95.2 -38.21 4.89 Favored Glycine 0 CA--C 1.533 1.205 0 C-N-CA 124.153 0.882 . . . . 0.0 114.091 -175.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 59.5 ttt85 -153.21 145.01 23.52 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.645 1.578 . . . . 0.0 110.867 -175.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 4.0 t -127.79 126.09 66.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 123.52 0.728 . . . . 0.0 109.412 160.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -117.84 89.41 3.11 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 125.173 1.389 . . . . 0.0 110.341 -176.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -69.07 -11.24 60.61 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.721 1.608 . . . . 0.0 113.288 -170.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 58.4 mtt85 -63.5 -25.39 68.24 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.562 1.145 . . . . 0.0 112.615 169.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 29.4 t -129.75 -21.37 3.08 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.87 1.668 . . . . 0.0 113.398 -177.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.35 23.91 49.35 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 125.111 1.338 . . . . 0.0 113.852 -177.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 59.3 t -91.54 127.91 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 CA-C-N 118.266 1.033 . . . . 0.0 111.313 179.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 57.6 mt -101.97 122.93 54.81 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 C-N-CA 126.644 1.977 . . . . 0.0 108.108 167.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 24.3 m -112.22 128.68 56.32 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.063 0.945 . . . . 0.0 111.234 176.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 22.0 mt -97.44 153.29 18.21 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.795 0.838 . . . . 0.0 112.605 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -135.12 159.16 41.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 126.759 2.024 . . . . 0.0 110.464 178.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -73.26 132.19 42.84 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 120.957 -1.09 . . . . 0.0 111.767 174.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -93.89 -15.49 24.95 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.837 0.855 . . . . 0.0 112.044 170.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -73.08 175.11 7.01 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.677 1.591 . . . . 0.0 112.122 166.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 55.21 37.41 28.86 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.977 1.711 . . . . 0.0 114.141 175.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 . . . . . 0 C--O 1.251 1.157 0 C-N-CA 125.587 1.555 . . . . 0.0 112.766 -179.817 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.428 0 CA-C-O 120.042 -0.31 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -67.02 159.9 49.8 Favored 'Trans proline' 0 CA--C 1.543 0.932 0 C-N-CA 123.906 3.071 . . . . 0.0 112.55 176.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 78.61 13.57 83.04 Favored Glycine 0 CA--C 1.541 1.665 0 C-N-CA 124.128 0.87 . . . . 0.0 114.891 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 66.7 m -66.37 161.11 23.26 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.31 1.055 . . . . 0.0 112.812 175.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 ppp? -121.13 159.07 26.55 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.452 1.901 . . . . 0.0 110.259 176.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 40.4 t -79.9 147.19 31.78 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -164.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -64.6 151.04 45.76 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.826 2.05 . . . . 0.0 114.374 -172.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -84.78 179.3 7.37 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.751 1.22 . . . . 0.0 112.124 168.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.0 ptpt -123.41 144.69 49.33 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.065 1.746 . . . . 0.0 111.331 166.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 65.8 t -100.65 143.53 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 125.497 1.519 . . . . 0.0 110.622 178.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.4 p -128.62 143.38 41.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.534 1.533 . . . . 0.0 111.258 165.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 pp -145.86 160.55 41.64 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.671 1.588 . . . . 0.0 111.713 177.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.4 m -122.15 127.78 50.47 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.421 1.088 . . . . 0.0 110.97 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -77.77 167.49 21.45 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.066 1.746 . . . . 0.0 112.487 178.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.15 -23.94 67.67 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -178.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 54.2 p-10 -85.33 1.16 49.65 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.988 1.315 . . . . 0.0 113.888 173.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.18 -0.28 89.41 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 125.49 1.519 . . . . 0.0 115.364 -178.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.39 139.94 23.84 Favored Glycine 0 CA--C 1.529 0.95 0 CA-C-N 119.674 1.737 . . . . 0.0 112.008 173.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 59.7 mtm180 -98.8 153.13 18.99 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 118.204 1.002 . . . . 0.0 113.351 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 87.2 t -134.25 146.7 30.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 126.721 2.009 . . . . 0.0 109.412 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -132.87 151.4 52.04 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.585 1.154 . . . . 0.0 112.895 -178.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -132.38 115.86 26.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 125.575 1.55 . . . . 0.0 109.081 176.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.18 156.03 30.48 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 124.163 0.887 . . . . 0.0 114.154 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 53.92 48.41 21.3 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.575 1.55 . . . . 0.0 114.026 171.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.6 m -76.6 128.52 37.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 O-C-N 120.954 -1.091 . . . . 0.0 111.988 178.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 93.4 mt -78.03 -31.48 50.47 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.956 0.903 . . . . 0.0 111.17 171.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -157.54 146.84 19.96 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.732 1.213 . . . . 0.0 112.354 -174.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.4 t -140.33 134.3 34.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.7 1.6 . . . . 0.0 109.139 171.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.16 140.9 37.99 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 124.313 1.045 . . . . 0.0 112.563 179.291 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.45 134.95 36.05 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.446 1.098 . . . . 0.0 110.232 163.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -135.94 -175.3 3.93 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 127.557 2.343 . . . . 0.0 111.22 -177.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.54 85.04 0.03 OUTLIER Glycine 0 CA--C 1.538 1.498 0 C-N-CA 126.138 1.828 . . . . 0.0 113.87 -174.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.11 14.87 76.06 Favored Glycine 0 CA--C 1.538 1.528 0 C-N-CA 126.435 1.969 . . . . 0.0 115.395 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -156.5 161.01 40.05 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.176 1.488 . . . . 0.0 113.405 -177.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.9 t -98.84 144.99 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 123.712 0.805 . . . . 0.0 110.655 160.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 64.3 mtp180 -127.76 147.81 50.42 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.114 1.766 . . . . 0.0 111.374 170.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -146.69 146.11 19.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.743 1.217 . . . . 0.0 111.694 -172.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.6 m -123.76 130.98 53.47 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.065 1.346 . . . . 0.0 111.138 178.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 40.9 p -94.9 164.16 13.03 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.622 1.169 . . . . 0.0 114.13 -178.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.2 tp -49.83 -32.94 15.32 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.646 1.978 . . . . 0.0 113.092 168.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -82.37 8.06 12.42 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.35 1.86 . . . . 0.0 113.327 -179.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.9 t0 59.93 30.66 20.17 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 127.305 2.242 . . . . 0.0 114.13 -177.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -99.48 140.19 34.04 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.798 1.239 . . . . 0.0 111.223 173.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -97.21 143.38 28.06 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.665 0.745 . . . . 0.0 112.295 170.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -123.91 150.1 45.09 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 126.069 1.747 . . . . 0.0 110.589 170.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.05 138.08 31.52 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 124.675 1.19 . . . . 0.0 111.219 -178.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -139.94 91.22 10.41 Favored Pre-proline 0 CA--C 1.545 0.762 0 C-N-CA 125.033 1.333 . . . . 0.0 111.358 -170.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -61.01 146.3 97.94 Favored 'Trans proline' 0 CA--C 1.536 0.602 0 C-N-CA 123.413 2.742 . . . . 0.0 113.402 176.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.88 4.02 89.42 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 125.033 1.302 . . . . 0.0 115.276 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 45.9 mt -104.71 162.97 12.83 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 119.076 1.438 . . . . 0.0 113.536 176.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.35 160.81 39.35 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 127.595 2.358 . . . . 0.0 109.453 164.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 72.7 mt -73.01 122.55 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 O-C-N 120.829 -1.17 . . . . 0.0 109.552 177.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.06 -47.19 2.28 Favored Glycine 0 CA--C 1.527 0.842 0 C-N-CA 124.711 1.148 . . . . 0.0 114.065 -175.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -146.97 154.3 41.08 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 118.546 1.173 . . . . 0.0 112.711 -178.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.8 t -133.77 116.24 23.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 126.151 1.781 . . . . 0.0 109.37 169.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -103.3 90.33 3.68 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.219 1.408 . . . . 0.0 109.831 -179.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -66.77 -23.91 66.13 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.097 -1.002 . . . . 0.0 112.278 -178.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -65.73 -19.54 65.94 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.135 1.374 . . . . 0.0 113.915 170.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.0 m -124.19 -17.87 6.03 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.955 1.302 . . . . 0.0 114.406 -175.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.81 34.14 62.64 Favored Glycine 0 CA--C 1.533 1.2 0 CA-C-N 119.109 0.868 . . . . 0.0 113.457 -171.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.3 t -120.64 130.81 74.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.41 1.084 . . . . 0.0 111.537 -174.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 88.9 mt -106.72 136.12 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 126.64 1.976 . . . . 0.0 108.564 169.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.8 t -124.29 127.93 48.38 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.871 0.868 . . . . 0.0 111.26 177.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 27.2 mt -95.88 150.91 19.91 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.299 1.04 . . . . 0.0 111.699 176.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -132.03 161.34 41.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 126.268 1.827 . . . . 0.0 110.641 179.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -71.39 135.32 47.21 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 120.922 -1.111 . . . . 0.0 111.596 176.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.11 -7.98 54.51 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 114.387 1.255 . . . . 0.0 114.387 -176.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -141.2 157.69 44.91 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.431 1.892 . . . . 0.0 110.866 171.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -126.16 36.77 4.45 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.105 1.362 . . . . 0.0 112.739 -171.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.1 mmp_? . . . . . 0 C--O 1.256 1.445 0 C-N-CA 125.266 1.427 . . . . 0.0 112.806 177.368 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.653 0 CA-C-O 119.927 -0.374 . . . . 0.0 112.324 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -71.82 -27.32 18.06 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 123.698 2.932 . . . . 0.0 113.719 -176.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . 56.67 -150.78 26.18 Favored Glycine 0 CA--C 1.541 1.717 0 C-N-CA 124.702 1.144 . . . . 0.0 113.588 178.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 33.2 t -73.45 -41.6 63.01 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.954 0.901 . . . . 0.0 111.74 171.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 83.2 mtp -136.4 145.56 45.46 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.831 1.652 . . . . 0.0 111.871 -178.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 30.2 p -147.91 173.36 12.93 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.058 1.743 . . . . 0.0 111.212 -178.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 5.2 mpp? -62.36 144.02 56.27 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.384 0.674 . . . . 0.0 111.988 172.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -83.28 -179.19 7.32 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.856 1.262 . . . . 0.0 112.314 174.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -118.31 151.61 37.37 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.231 1.012 . . . . 0.0 111.937 158.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 76.4 t -103.02 144.83 13.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 124.722 1.209 . . . . 0.0 110.456 172.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 10.5 p -131.2 139.08 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 126.14 1.776 . . . . 0.0 110.769 169.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 pp -146.18 164.23 32.89 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.526 1.53 . . . . 0.0 111.442 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 20.6 m -121.96 129.16 52.27 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.135 0.974 . . . . 0.0 110.077 172.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -73.89 165.6 24.84 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.169 1.388 . . . . 0.0 112.062 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.07 -24.21 66.05 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 170.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -74.51 -6.4 48.18 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.717 1.607 . . . . 0.0 113.935 172.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.51 -5.16 84.34 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 125.996 1.76 . . . . 0.0 115.529 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.74 140.84 19.84 Favored Glycine 0 CA--C 1.535 1.308 0 CA-C-N 118.672 1.236 . . . . 0.0 112.883 175.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 30.9 mtm105 -81.29 157.24 25.19 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 118.039 0.92 . . . . 0.0 113.3 175.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 87.5 t -136.22 141.81 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 126.526 1.931 . . . . 0.0 109.14 171.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -127.61 143.92 51.12 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.635 1.174 . . . . 0.0 111.719 174.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 38.7 mt -130.77 107.68 14.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 125.612 1.565 . . . . 0.0 108.442 -174.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.69 154.88 40.46 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 123.982 0.801 . . . . 0.0 114.135 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 53.06 53.73 11.51 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.271 1.828 . . . . 0.0 114.621 168.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 18.5 m -79.89 134.1 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 124.439 1.096 . . . . 0.0 112.797 177.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 95.8 mt -81.87 -33.97 30.3 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.166 1.387 . . . . 0.0 112.268 172.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -159.68 144.45 15.19 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.23 0.612 . . . . 0.0 111.799 -171.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 38.6 t -137.31 139.75 43.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 124.962 1.305 . . . . 0.0 110.235 178.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 89.3 mtt180 -142.82 133.24 24.87 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.765 0.826 . . . . 0.0 112.06 -177.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -93.29 100.06 12.48 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.679 1.192 . . . . 0.0 109.561 162.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 25.8 pt-20 -155.59 149.35 25.27 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.565 1.146 . . . . 0.0 112.73 -177.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 68.76 25.25 75.27 Favored Glycine 0 CA--C 1.539 1.561 0 C-N-CA 124.214 0.912 . . . . 0.0 115.137 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.96 18.04 80.21 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.393 0.997 . . . . 0.0 114.542 -174.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.35 168.32 20.38 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.197 1.799 . . . . 0.0 111.605 -173.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 77.9 t -102.99 131.32 51.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 O-C-N 122.26 -0.275 . . . . 0.0 111.122 160.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -100.84 147.64 25.86 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.842 1.657 . . . . 0.0 110.727 168.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 31.7 t -137.63 139.51 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 125.203 1.401 . . . . 0.0 110.153 174.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 57.8 m -115.18 130.4 56.91 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.334 1.054 . . . . 0.0 110.035 169.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 57.3 p -98.84 168.56 10.05 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.276 1.03 . . . . 0.0 112.594 176.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -57.36 -16.48 9.12 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 178.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -82.5 3.33 28.82 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.044 1.338 . . . . 0.0 113.379 174.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 62.92 13.03 6.27 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 126.935 2.094 . . . . 0.0 114.109 -168.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -78.1 139.64 39.04 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 120.865 -1.147 . . . . 0.0 111.877 173.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -102.1 149.26 24.45 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.528 1.131 . . . . 0.0 112.537 174.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -136.81 149.09 47.55 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 126.479 1.912 . . . . 0.0 109.52 176.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -139.92 141.25 36.53 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.959 0.904 . . . . 0.0 112.9 -179.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -136.47 87.85 21.12 Favored Pre-proline 0 CA--C 1.543 0.691 0 C-N-CA 125.523 1.529 . . . . 0.0 110.807 -170.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -66.08 145.54 79.4 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 123.038 2.492 . . . . 0.0 113.025 -177.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.94 -0.58 89.11 Favored Glycine 0 CA--C 1.537 1.465 0 C-N-CA 124.837 1.208 . . . . 0.0 115.289 -177.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 59.3 mt -100.86 161.18 13.77 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.758 1.279 . . . . 0.0 113.53 176.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.53 164.18 30.85 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 127.948 2.499 . . . . 0.0 110.256 163.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 27.4 mt -72.81 121.57 23.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 O-C-N 121.029 -1.045 . . . . 0.0 109.358 176.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.17 -45.21 2.86 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 124.687 1.137 . . . . 0.0 114.013 -176.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 76.6 ttt-85 -150.14 145.13 26.13 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.576 1.15 . . . . 0.0 111.617 -177.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 32.4 t -131.73 120.8 46.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 126.496 1.919 . . . . 0.0 108.282 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -118.61 98.72 6.38 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.297 1.439 . . . . 0.0 110.531 -172.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -82.15 -4.09 56.25 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.017 1.327 . . . . 0.0 113.419 -171.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 67.8 mtt85 -65.33 -36.42 84.0 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.734 0.814 . . . . 0.0 111.552 174.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 36.7 m -134.83 -5.54 2.45 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.1 1.36 . . . . 0.0 114.501 -175.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.43 65.22 1.96 Allowed Glycine 0 CA--C 1.533 1.184 0 CA-C-N 119.353 0.978 . . . . 0.0 112.804 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 60.7 t -128.66 136.96 58.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 124.277 1.031 . . . . 0.0 111.158 177.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 85.8 mt -123.89 120.18 58.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 125.914 1.686 . . . . 0.0 109.323 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 16.0 m -105.0 129.84 53.36 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.68 1.192 . . . . 0.0 111.295 177.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 25.5 mt -99.03 153.01 19.2 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.287 1.035 . . . . 0.0 111.923 176.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -137.05 158.96 36.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 126.727 2.011 . . . . 0.0 111.162 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 19.2 mp0 -66.11 129.56 40.23 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.633 0.773 . . . . 0.0 111.926 175.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.61 -7.42 57.58 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -175.132 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -132.13 130.72 41.53 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.54 1.536 . . . . 0.0 110.642 175.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 -139.61 25.02 2.41 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.868 1.267 . . . . 0.0 112.564 -170.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? . . . . . 0 C--O 1.251 1.151 0 C-N-CA 127.114 2.166 . . . . 0.0 111.509 -179.057 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.61 0 N-CA-C 112.258 -0.337 . . . . 0.0 112.258 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -69.32 164.38 34.33 Favored 'Trans proline' 0 CA--C 1.543 0.974 0 C-N-CA 123.937 3.091 . . . . 0.0 112.84 177.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 82.13 176.76 51.45 Favored Glycine 0 CA--C 1.539 1.548 0 C-N-CA 124.768 1.175 . . . . 0.0 113.976 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 21.0 m 56.39 19.6 4.15 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 126.481 1.913 . . . . 0.0 115.069 -176.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.1 mtm -147.98 164.71 32.93 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 127.486 2.314 . . . . 0.0 110.948 -174.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 38.7 t -125.38 137.06 54.02 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.772 1.229 . . . . 0.0 111.454 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -85.4 160.94 19.64 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.871 1.268 . . . . 0.0 112.522 -176.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.43 167.97 20.79 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.682 0.793 . . . . 0.0 112.651 -178.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -117.09 134.27 54.97 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.463 1.105 . . . . 0.0 111.285 163.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 88.4 t -99.85 141.66 16.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 124.907 1.283 . . . . 0.0 109.867 176.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.1 p -141.52 141.83 29.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.86 1.264 . . . . 0.0 112.392 -177.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp -150.54 156.37 41.27 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.13 1.772 . . . . 0.0 112.412 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.3 m -108.64 129.8 55.33 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.187 1.395 . . . . 0.0 109.845 170.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt -79.96 162.63 24.82 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.248 1.419 . . . . 0.0 112.677 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.24 -19.54 63.3 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 124.144 0.977 . . . . 0.0 113.143 166.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -70.13 -11.32 60.8 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.575 1.55 . . . . 0.0 113.847 171.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.06 -10.31 53.68 Favored Glycine 0 CA--C 1.539 1.539 0 C-N-CA 125.688 1.613 . . . . 0.0 114.407 -170.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.24 172.05 55.14 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 125.072 1.32 . . . . 0.0 113.353 171.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -127.67 154.33 45.42 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.575 1.15 . . . . 0.0 113.113 -179.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 93.4 t -130.4 133.69 63.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 125.841 1.656 . . . . 0.0 109.897 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -127.88 136.92 52.05 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.716 1.606 . . . . 0.0 110.935 177.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.0 mt -133.9 109.59 13.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.688 1.195 . . . . 0.0 109.076 -174.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.68 175.33 45.39 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 124.286 0.946 . . . . 0.0 113.587 176.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 56.25 29.96 15.81 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.993 1.317 . . . . 0.0 113.993 177.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 72.3 t -73.23 114.33 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 124.439 1.096 . . . . 0.0 109.818 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.0 tp -86.21 -27.55 24.43 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.578 1.151 . . . . 0.0 111.82 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -155.43 148.92 25.05 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.082 1.353 . . . . 0.0 112.388 177.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.3 p -143.06 143.9 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 125.533 1.533 . . . . 0.0 110.702 173.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -134.92 143.99 47.23 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 126.051 1.74 . . . . 0.0 111.598 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.35 104.17 14.93 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.211 1.004 . . . . 0.0 109.034 160.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -81.24 -176.85 6.2 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.946 1.699 . . . . 0.0 111.745 176.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.4 81.03 0.21 Allowed Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.778 1.18 . . . . 0.0 112.718 174.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.54 20.97 49.83 Favored Glycine 0 CA--C 1.538 1.52 0 C-N-CA 125.332 1.444 . . . . 0.0 115.016 179.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -151.49 161.87 41.94 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.958 1.303 . . . . 0.0 111.987 178.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 82.1 t -98.44 145.7 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 O-C-N 121.564 -0.71 . . . . 0.0 109.73 157.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -137.03 131.74 33.26 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.452 1.501 . . . . 0.0 110.195 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.5 m -119.27 152.16 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 124.821 1.248 . . . . 0.0 111.899 -177.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 64.6 m -130.56 121.3 25.44 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.72 1.608 . . . . 0.0 109.65 174.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 42.0 p -83.7 161.0 21.19 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.458 0.703 . . . . 0.0 111.724 172.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.5 pp -65.37 -10.53 34.03 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 171.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -81.2 3.55 23.35 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 124.667 1.187 . . . . 0.0 113.15 171.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 63.44 11.41 5.54 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 127.391 2.277 . . . . 0.0 114.584 -171.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -82.32 141.58 32.76 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.073 -1.017 . . . . 0.0 111.183 170.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -122.6 152.7 40.18 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 125.124 1.37 . . . . 0.0 112.614 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -138.35 154.0 48.96 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.363 1.465 . . . . 0.0 110.418 171.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.38 145.14 34.99 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.908 0.883 . . . . 0.0 111.838 -178.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -138.5 92.03 12.0 Favored Pre-proline 0 CA--C 1.543 0.694 0 C-N-CA 125.468 1.507 . . . . 0.0 110.855 -170.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -60.76 147.27 95.59 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 123.589 2.859 . . . . 0.0 113.545 177.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.63 3.82 90.35 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 124.797 1.189 . . . . 0.0 114.522 178.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 56.6 mt -108.07 163.15 13.4 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 118.802 1.301 . . . . 0.0 113.027 176.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.92 160.06 40.65 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 127.604 2.362 . . . . 0.0 110.264 165.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 43.0 mt -68.24 117.97 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 O-C-N 121.468 -0.77 . . . . 0.0 109.063 174.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.43 -48.43 2.0 Favored Glycine 0 CA--C 1.528 0.844 0 C-N-CA 124.021 0.819 . . . . 0.0 114.353 -170.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 75.1 ttt-85 -152.62 140.16 19.73 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.547 1.139 . . . . 0.0 110.828 -174.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.1 t -119.55 134.27 63.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 123.698 0.799 . . . . 0.0 109.408 169.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -131.14 92.89 3.28 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.454 1.502 . . . . 0.0 110.637 -174.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -73.28 -15.24 61.41 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.616 1.166 . . . . 0.0 113.604 -166.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 50.0 mtm180 -66.88 -23.97 66.06 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.367 1.067 . . . . 0.0 112.325 173.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.1 m -124.1 -7.94 7.7 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.635 1.574 . . . . 0.0 113.937 178.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.36 21.88 79.21 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 125.273 1.416 . . . . 0.0 114.276 -178.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 96.0 t -93.14 137.15 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.721 1.208 . . . . 0.0 111.616 -173.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 86.0 mt -117.41 102.31 13.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 127.053 2.141 . . . . 0.0 108.016 172.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.9 m -90.21 127.76 36.21 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.073 0.949 . . . . 0.0 110.875 179.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.6 mt -92.99 153.86 18.49 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.597 0.759 . . . . 0.0 111.97 175.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -134.29 160.9 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 125.895 1.678 . . . . 0.0 111.044 178.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -71.27 134.88 47.13 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.151 -0.968 . . . . 0.0 111.956 177.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -74.73 -21.22 59.48 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -178.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -97.35 139.18 33.68 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.727 1.611 . . . . 0.0 110.614 167.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -126.16 9.31 7.36 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 125.117 1.367 . . . . 0.0 114.127 -174.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 . . . . . 0 C--O 1.253 1.251 0 C-N-CA 126.009 1.724 . . . . 0.0 112.688 177.494 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.562 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -67.64 164.2 32.11 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 124.089 3.193 . . . . 0.0 113.028 177.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . 78.4 17.01 78.62 Favored Glycine 0 CA--C 1.536 1.403 0 N-CA-C 115.225 0.85 . . . . 0.0 115.225 178.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 23.2 t -68.0 152.16 45.96 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.129 0.972 . . . . 0.0 112.436 174.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 11.5 ptp 55.15 173.62 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 128.687 2.795 . . . . 0.0 115.653 -173.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 42.5 t -149.23 150.55 32.77 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.776 1.63 . . . . 0.0 111.261 -176.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -127.25 -83.09 0.61 Allowed 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.967 1.307 . . . . 0.0 112.599 -176.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -151.3 159.23 44.43 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.961 1.305 . . . . 0.0 112.147 -177.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -101.65 134.82 44.2 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.341 1.456 . . . . 0.0 111.068 172.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 4.6 t -100.18 138.74 23.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 125.286 1.434 . . . . 0.0 109.69 165.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -139.65 140.99 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 124.906 1.282 . . . . 0.0 112.313 -179.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 pp -142.79 156.62 45.0 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.744 1.617 . . . . 0.0 112.653 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 16.8 m -107.27 131.56 54.06 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.721 1.209 . . . . 0.0 110.872 172.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -80.25 162.98 24.34 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.393 1.877 . . . . 0.0 112.931 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.1 -23.88 67.28 Favored 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 174.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 47.0 p30 -80.79 0.19 35.9 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.109 1.364 . . . . 0.0 113.727 175.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.84 -6.83 82.18 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 125.118 1.342 . . . . 0.0 115.234 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.73 174.6 52.56 Favored Glycine 0 CA--C 1.54 1.652 0 CA-C-N 119.109 1.454 . . . . 0.0 113.275 170.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -130.01 152.55 49.34 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.148 1.379 . . . . 0.0 113.114 178.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 97.5 t -128.68 138.51 54.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 126.171 1.788 . . . . 0.0 109.308 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -129.15 141.45 51.17 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.194 1.397 . . . . 0.0 111.225 -177.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 92.5 mt -132.14 111.23 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 125.738 1.615 . . . . 0.0 108.307 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.57 168.31 41.79 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.302 0.953 . . . . 0.0 114.197 178.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 53.26 43.21 31.8 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.93 1.692 . . . . 0.0 113.922 172.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 90.4 t -71.08 129.8 34.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 124.49 1.116 . . . . 0.0 111.46 -178.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 96.2 mt -89.21 -39.0 13.84 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.733 1.213 . . . . 0.0 112.305 170.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -151.53 142.92 23.44 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.589 1.156 . . . . 0.0 111.676 -177.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 7.2 p -142.87 144.67 23.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 125.023 1.329 . . . . 0.0 110.606 173.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -137.2 144.78 43.04 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.116 1.367 . . . . 0.0 112.658 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.6 109.45 20.61 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 152.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 53.7 tt0 -152.54 130.09 11.47 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.241 1.016 . . . . 0.0 111.505 -173.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.74 30.7 68.12 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 123.935 0.779 . . . . 0.0 114.937 173.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.97 20.33 79.5 Favored Glycine 0 CA--C 1.531 1.081 0 CA-C-N 118.062 0.931 . . . . 0.0 114.202 -177.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.56 166.48 27.21 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.271 1.828 . . . . 0.0 111.072 -177.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 49.9 t -99.74 135.79 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 O-C-N 121.85 -0.531 . . . . 0.0 110.745 162.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -119.13 143.88 46.95 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.408 1.883 . . . . 0.0 109.985 171.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 9.8 p -147.66 145.8 18.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 C-N-CA 124.496 1.118 . . . . 0.0 112.811 -174.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 63.1 m -129.12 132.56 47.4 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.858 2.063 . . . . 0.0 111.043 -176.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 32.3 p -105.05 167.1 9.93 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.559 1.144 . . . . 0.0 113.929 -175.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 51.7 tp -45.97 -35.76 4.98 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 127.608 2.363 . . . . 0.0 114.237 170.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -84.45 6.75 22.19 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.081 1.752 . . . . 0.0 113.889 -176.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 61.4 11.58 3.79 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.797 2.039 . . . . 0.0 114.35 -170.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -76.39 142.04 41.26 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 120.973 -1.079 . . . . 0.0 110.499 169.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -124.43 151.27 44.7 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.881 1.272 . . . . 0.0 112.116 -178.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 -138.01 156.88 47.37 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.626 1.57 . . . . 0.0 111.539 179.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -145.65 143.78 30.04 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.206 1.002 . . . . 0.0 112.376 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -142.95 95.25 6.24 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 125.645 1.578 . . . . 0.0 111.886 -169.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -60.72 146.64 96.94 Favored 'Trans proline' 0 CA--C 1.54 0.816 0 C-N-CA 123.673 2.915 . . . . 0.0 114.013 178.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.1 4.81 89.79 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 124.399 1.0 . . . . 0.0 115.119 177.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 48.0 mt -105.87 161.88 14.06 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 118.614 1.207 . . . . 0.0 113.769 177.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.73 163.59 32.88 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 127.944 2.498 . . . . 0.0 110.063 165.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 32.0 mt -74.31 124.88 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 O-C-N 121.27 -0.894 . . . . 0.0 109.124 175.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -103.5 -36.03 3.41 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 124.41 1.005 . . . . 0.0 114.651 -173.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 76.0 ttt-85 -157.44 147.57 20.73 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-N 118.658 1.229 . . . . 0.0 111.022 -175.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 13.8 t -130.3 133.12 64.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 123.937 0.895 . . . . 0.0 109.712 167.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -125.64 101.2 6.78 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.652 1.581 . . . . 0.0 110.875 -174.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -81.94 -3.94 55.48 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.595 1.158 . . . . 0.0 112.971 -171.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 65.2 mtt85 -64.51 -27.53 69.03 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.31 1.044 . . . . 0.0 112.0 166.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 45.6 m -131.81 -12.27 3.35 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.7 1.6 . . . . 0.0 114.202 -174.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.76 41.3 34.72 Favored Glycine 0 CA--C 1.532 1.097 0 C-N-CA 124.17 0.89 . . . . 0.0 113.024 -178.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 43.1 t -117.07 135.06 58.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.553 1.141 . . . . 0.0 111.845 -175.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 44.9 mt -116.35 114.74 46.94 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 C-N-CA 127.744 2.418 . . . . 0.0 107.951 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 22.9 t -105.41 132.71 51.25 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.782 1.233 . . . . 0.0 111.926 -176.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 mp -103.32 148.2 26.14 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.814 1.646 . . . . 0.0 111.382 -176.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -135.43 160.36 40.13 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 126.272 1.829 . . . . 0.0 111.407 -177.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 26.5 mp0 -70.84 127.12 31.54 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.274 1.03 . . . . 0.0 112.008 177.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -75.98 -12.78 60.2 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 -171.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -141.83 145.5 34.76 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.939 1.696 . . . . 0.0 110.098 168.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -128.92 13.54 6.3 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -162.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 . . . . . 0 C--O 1.251 1.146 0 C-N-CA 126.53 1.932 . . . . 0.0 112.525 178.378 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.343 0 CA-C-O 119.807 -0.441 . . . . 0.0 112.291 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_exo -58.92 148.25 85.44 Favored 'Trans proline' 0 CA--C 1.538 0.721 0 C-N-CA 124.212 3.274 . . . . 0.0 114.45 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 175.73 140.61 3.49 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 124.889 1.233 . . . . 0.0 112.827 174.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 23.9 t -153.98 154.25 33.43 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.753 1.221 . . . . 0.0 112.606 179.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.67 -3.82 48.99 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.717 1.607 . . . . 0.0 114.879 178.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 31.5 p -144.36 168.17 20.72 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.661 1.584 . . . . 0.0 112.284 179.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 36.1 mtm -62.32 -50.32 72.12 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.194 1.397 . . . . 0.0 111.757 178.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -160.51 168.97 23.95 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.412 1.885 . . . . 0.0 109.901 165.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -138.41 135.52 35.34 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.306 1.442 . . . . 0.0 111.123 173.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.2 t -101.66 142.96 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 125.266 1.426 . . . . 0.0 110.453 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.9 p -136.68 140.27 43.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 125.316 1.446 . . . . 0.0 111.638 172.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 pp -151.53 164.14 37.48 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.642 1.577 . . . . 0.0 112.005 -177.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.5 m -125.07 129.67 50.71 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.547 1.139 . . . . 0.0 110.563 171.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -75.21 166.56 23.44 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.982 1.713 . . . . 0.0 111.729 -178.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.78 -25.08 67.25 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 174.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -77.63 -2.63 36.87 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 125.433 1.493 . . . . 0.0 114.085 173.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.13 -2.49 87.63 Favored Glycine 0 CA--C 1.54 1.607 0 C-N-CA 125.472 1.511 . . . . 0.0 115.586 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -85.15 140.89 18.82 Favored Glycine 0 CA--C 1.532 1.102 0 CA-C-N 119.005 1.403 . . . . 0.0 112.311 175.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.5 mtm-85 -83.57 161.04 21.3 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 118.404 1.102 . . . . 0.0 113.469 177.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 52.9 t -134.39 142.42 40.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 125.612 1.565 . . . . 0.0 109.28 166.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.0 mp0 -131.32 142.47 50.1 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.552 1.541 . . . . 0.0 110.771 177.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 32.9 mt -135.28 122.66 36.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 125.034 1.334 . . . . 0.0 109.222 -178.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -96.23 173.23 29.97 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 124.72 1.152 . . . . 0.0 113.834 173.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 54.67 40.36 31.84 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.14 1.376 . . . . 0.0 114.117 175.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 83.7 t -78.21 128.72 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 125.446 1.498 . . . . 0.0 112.096 -176.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 89.4 mt -92.38 -33.77 14.44 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.282 1.433 . . . . 0.0 112.772 172.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 62.8 tt0 -157.64 147.39 20.25 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 118.781 0.719 . . . . 0.0 112.103 -169.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.1 t -137.8 139.76 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.707 1.603 . . . . 0.0 110.011 175.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -137.88 114.99 10.89 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.598 1.159 . . . . 0.0 112.393 178.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.2 98.54 11.8 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.964 1.706 . . . . 0.0 110.097 169.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -161.21 153.48 20.1 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.349 1.06 . . . . 0.0 113.028 -174.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 62.47 24.61 66.05 Favored Glycine 0 CA--C 1.537 1.437 0 O-C-N 121.402 -0.811 . . . . 0.0 115.026 178.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.36 15.94 77.25 Favored Glycine 0 CA--C 1.539 1.58 0 C-N-CA 124.643 1.115 . . . . 0.0 114.743 -177.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.02 157.42 43.87 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 118.984 1.392 . . . . 0.0 112.351 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 82.8 t -100.24 136.63 30.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 122.936 0.495 . . . . 0.0 110.487 164.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.0 mtt85 -116.57 150.5 37.91 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.861 1.665 . . . . 0.0 110.069 173.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.1 t -136.69 140.89 42.31 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 125.416 1.486 . . . . 0.0 110.324 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 36.0 m -123.89 145.0 49.42 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.251 1.421 . . . . 0.0 110.839 177.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 49.3 p -130.54 163.9 26.05 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.87 1.268 . . . . 0.0 112.19 -176.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.98 -5.71 13.9 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 115.424 1.638 . . . . 0.0 115.424 -179.269 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -78.02 0.73 23.36 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.651 1.181 . . . . 0.0 113.274 170.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 61.01 13.3 4.49 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 126.673 1.989 . . . . 0.0 114.016 -164.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -83.84 155.56 22.9 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.76 1.224 . . . . 0.0 112.266 172.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -137.07 150.38 48.0 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.697 1.599 . . . . 0.0 112.372 -178.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 -132.19 154.0 50.0 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.945 1.698 . . . . 0.0 110.689 -179.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -146.13 140.18 26.5 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.042 0.937 . . . . 0.0 112.817 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -141.25 95.55 7.37 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 125.411 1.484 . . . . 0.0 111.12 -170.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -60.33 149.37 86.18 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 123.878 3.052 . . . . 0.0 113.507 175.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.37 9.8 86.11 Favored Glycine 0 CA--C 1.533 1.169 0 C-N-CA 124.827 1.203 . . . . 0.0 115.254 175.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.8 mt -111.47 161.97 15.58 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.846 1.258 . . . . 0.0 113.822 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -146.14 163.04 36.6 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 127.562 2.345 . . . . 0.0 110.467 165.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 23.2 mt -74.52 123.57 30.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 O-C-N 121.119 -0.988 . . . . 0.0 110.044 177.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -88.07 -45.32 5.11 Favored Glycine 0 N--CA 1.471 0.97 0 C-N-CA 124.603 1.097 . . . . 0.0 113.308 177.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -156.19 162.71 40.16 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.71 1.204 . . . . 0.0 113.144 173.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.35 124.24 51.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.826 1.251 . . . . 0.0 109.147 170.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -110.0 91.34 3.61 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.927 1.691 . . . . 0.0 110.409 -177.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -67.96 -16.39 64.04 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.714 1.206 . . . . 0.0 113.38 -171.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.9 mtm180 -61.47 -26.76 68.1 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.883 0.873 . . . . 0.0 113.075 173.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.2 t -134.22 4.38 3.46 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.808 1.243 . . . . 0.0 113.507 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.77 18.23 72.07 Favored Glycine 0 CA--C 1.539 1.559 0 C-N-CA 124.777 1.18 . . . . 0.0 115.076 -178.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.7 t -81.55 124.18 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 CA-C-N 118.816 1.308 . . . . 0.0 111.052 -176.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 97.3 mt -106.98 115.8 49.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 126.56 1.944 . . . . 0.0 108.628 173.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.4 t -103.64 125.26 50.04 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.405 1.082 . . . . 0.0 111.355 -178.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 27.0 mt -102.36 148.56 25.33 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.471 1.109 . . . . 0.0 112.171 177.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.7 pp -133.84 162.09 39.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 126.934 2.094 . . . . 0.0 110.491 -179.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -69.42 128.66 37.33 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.502 -0.749 . . . . 0.0 111.522 176.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -70.85 -16.21 62.69 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -175.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -126.66 118.12 24.13 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.438 1.495 . . . . 0.0 109.181 163.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -142.68 3.35 1.45 Allowed 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 -171.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 80.4 mtp85 . . . . . 0 C--O 1.258 1.535 0 C-N-CA 125.52 1.528 . . . . 0.0 112.418 179.026 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.403 0 N-CA-C 111.767 -0.533 . . . . 0.0 111.767 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -67.68 150.67 79.5 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 123.495 2.797 . . . . 0.0 112.793 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -71.8 135.49 23.24 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 123.869 0.747 . . . . 0.0 112.758 177.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 22.8 t -158.18 153.67 26.11 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.273 1.429 . . . . 0.0 111.436 175.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -156.66 144.68 19.47 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.309 1.444 . . . . 0.0 112.363 -176.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 63.4 m -132.08 12.43 4.7 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.187 1.395 . . . . 0.0 113.457 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 53.3 mtm -69.17 150.51 47.42 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.543 1.537 . . . . 0.0 113.43 -174.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -102.05 179.49 4.31 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.015 1.326 . . . . 0.0 112.241 177.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.53 142.12 48.62 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.694 1.198 . . . . 0.0 111.709 158.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 19.8 t -99.71 145.28 10.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 125.692 1.597 . . . . 0.0 110.093 -179.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 12.4 p -135.13 141.16 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 125.108 1.363 . . . . 0.0 111.631 171.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -149.83 155.86 40.81 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.556 1.542 . . . . 0.0 112.613 -176.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 17.0 m -116.1 132.83 56.54 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.142 1.377 . . . . 0.0 110.916 178.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -85.22 160.55 19.86 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 126.372 1.869 . . . . 0.0 112.075 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.69 -24.94 67.9 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 177.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -78.21 -0.73 29.66 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 125.03 1.332 . . . . 0.0 113.51 174.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.54 -3.85 86.56 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 125.517 1.532 . . . . 0.0 115.358 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.84 166.07 54.41 Favored Glycine 0 N--CA 1.476 1.3 0 CA-C-N 118.676 1.238 . . . . 0.0 112.843 172.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -127.5 152.49 47.52 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.836 1.255 . . . . 0.0 113.563 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 96.2 t -131.84 141.6 45.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 125.666 1.586 . . . . 0.0 109.76 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -130.29 141.88 50.58 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.254 1.422 . . . . 0.0 111.737 177.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 53.1 mt -138.6 110.98 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 124.713 1.205 . . . . 0.0 109.309 -169.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.79 162.72 33.04 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 124.464 1.031 . . . . 0.0 115.428 -175.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 55.96 45.01 24.69 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.259 1.823 . . . . 0.0 113.821 170.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 3.2 p -79.78 127.62 39.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 123.976 0.911 . . . . 0.0 111.334 -178.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 86.4 mt -82.69 -34.43 27.34 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.408 1.483 . . . . 0.0 112.671 173.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -155.94 143.67 19.57 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.39 1.076 . . . . 0.0 112.341 -179.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 19.0 m -124.82 145.25 32.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 125.101 1.36 . . . . 0.0 110.548 167.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -138.19 138.45 38.57 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.125 1.37 . . . . 0.0 111.035 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.74 120.34 33.03 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.752 0.821 . . . . 0.0 108.982 164.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -156.14 130.9 9.05 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.912 0.885 . . . . 0.0 112.21 -168.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 64.42 25.99 70.39 Favored Glycine 0 CA--C 1.538 1.507 0 N-CA-C 115.36 0.904 . . . . 0.0 115.36 172.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.31 21.78 69.29 Favored Glycine 0 CA--C 1.541 1.657 0 CA-C-N 118.701 1.251 . . . . 0.0 113.968 -173.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.69 168.58 19.38 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.494 1.918 . . . . 0.0 111.323 -179.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 60.9 t -106.58 141.0 22.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 122.921 0.489 . . . . 0.0 111.365 162.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -118.21 143.17 46.74 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 126.649 1.98 . . . . 0.0 110.108 171.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 3.7 m -137.93 140.14 41.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.804 1.242 . . . . 0.0 110.72 -177.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 92.8 m -132.74 132.95 42.86 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.614 1.166 . . . . 0.0 111.638 -173.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 29.8 p -113.71 169.17 9.18 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.96 1.304 . . . . 0.0 113.51 -174.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -60.77 -14.96 24.66 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 115.975 1.843 . . . . 0.0 115.975 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -81.47 4.09 22.38 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.882 1.273 . . . . 0.0 113.627 174.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 61.77 14.3 6.08 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.329 1.852 . . . . 0.0 114.036 -166.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -79.44 155.4 28.35 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.159 0.983 . . . . 0.0 112.265 171.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -144.27 141.61 29.93 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.46 1.504 . . . . 0.0 110.804 -175.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -134.52 153.66 51.83 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.424 1.49 . . . . 0.0 110.316 178.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -140.07 141.82 36.18 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.468 1.107 . . . . 0.0 112.62 -176.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -138.18 96.98 9.85 Favored Pre-proline 0 CA--C 1.546 0.805 0 C-N-CA 125.697 1.599 . . . . 0.0 111.048 -169.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -62.43 147.86 94.21 Favored 'Trans proline' 0 CA--C 1.533 0.469 0 C-N-CA 123.951 3.101 . . . . 0.0 113.737 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.66 3.08 90.66 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 124.924 1.25 . . . . 0.0 114.452 176.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 63.6 mt -107.42 161.28 14.96 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 118.934 1.367 . . . . 0.0 113.587 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.61 161.49 37.93 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 128.596 2.758 . . . . 0.0 109.91 167.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 22.6 mt -74.3 122.83 28.41 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 O-C-N 120.992 -1.068 . . . . 0.0 109.87 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.61 -49.24 1.31 Allowed Glycine 0 CA--C 1.53 1.005 0 C-N-CA 124.58 1.086 . . . . 0.0 114.529 -173.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -143.24 156.82 44.83 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 118.127 0.964 . . . . 0.0 112.867 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 12.2 t -135.76 131.55 50.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 126.436 1.895 . . . . 0.0 109.03 172.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -130.55 111.49 12.31 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.03 1.332 . . . . 0.0 110.114 173.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -81.04 -15.01 57.3 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.966 0.906 . . . . 0.0 113.382 -175.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 56.2 mtm180 -68.98 -45.93 69.39 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.612 1.165 . . . . 0.0 111.509 175.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 12.3 m -88.87 -19.4 25.92 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.773 1.229 . . . . 0.0 113.565 173.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.66 36.9 58.09 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 124.345 0.974 . . . . 0.0 113.398 -171.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 71.5 t -109.3 139.93 30.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 125.318 1.447 . . . . 0.0 112.281 -172.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 73.6 mt -119.65 128.76 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 125.982 1.713 . . . . 0.0 108.422 170.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 24.4 m -114.3 128.35 56.31 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.089 0.955 . . . . 0.0 111.051 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 23.6 mt -94.61 152.3 18.62 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.003 0.921 . . . . 0.0 112.415 176.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -135.96 164.39 32.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 126.647 1.979 . . . . 0.0 110.772 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -70.31 132.04 45.07 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.898 -1.126 . . . . 0.0 112.229 177.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -72.43 -22.77 61.04 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 -176.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -143.57 150.43 38.83 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 126.608 1.963 . . . . 0.0 110.539 171.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -121.91 8.35 9.91 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 124.874 1.27 . . . . 0.0 113.767 -176.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 79.3 mtp85 . . . . . 0 C--O 1.255 1.349 0 C-N-CA 125.45 1.5 . . . . 0.0 112.328 -179.728 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.565 0 N-CA-C 111.892 -0.483 . . . . 0.0 111.892 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -65.93 139.37 56.4 Favored 'Trans proline' 0 CA--C 1.539 0.747 0 C-N-CA 123.459 2.772 . . . . 0.0 111.799 176.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 69.6 8.95 61.0 Favored Glycine 0 CA--C 1.541 1.671 0 C-N-CA 124.589 1.09 . . . . 0.0 115.748 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 68.7 m -78.09 -15.13 59.16 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 -176.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.6 ptm -67.66 149.03 50.56 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.417 1.087 . . . . 0.0 112.886 177.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 28.9 p -154.94 167.7 29.42 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.152 1.381 . . . . 0.0 112.116 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -130.74 172.7 11.69 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.922 1.689 . . . . 0.0 111.737 -179.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.52 -179.14 1.99 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.528 1.131 . . . . 0.0 113.411 176.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -135.95 143.85 45.11 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.444 1.897 . . . . 0.0 110.753 170.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.0 t -99.16 143.72 12.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 124.734 1.213 . . . . 0.0 109.953 179.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.5 p -133.97 145.6 32.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 125.728 1.611 . . . . 0.0 111.043 167.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -151.99 156.96 41.04 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.416 1.086 . . . . 0.0 113.221 -178.286 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.6 m -113.32 124.18 51.88 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.784 1.234 . . . . 0.0 109.076 165.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -76.95 164.95 25.3 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 126.373 1.869 . . . . 0.0 112.193 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.35 -22.59 66.97 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 -178.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 55.0 p-10 -85.87 1.85 48.24 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.386 1.474 . . . . 0.0 114.024 173.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.65 1.12 90.09 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 125.394 1.473 . . . . 0.0 115.492 -178.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.3 159.91 53.58 Favored Glycine 0 CA--C 1.534 1.227 0 CA-C-N 119.232 1.516 . . . . 0.0 112.222 171.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 -122.49 147.98 45.71 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.609 1.163 . . . . 0.0 112.878 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.4 t -139.87 142.77 31.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.371 1.468 . . . . 0.0 109.92 -175.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -129.49 142.93 50.66 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.827 1.651 . . . . 0.0 111.201 175.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 46.0 mt -133.04 112.65 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 125.461 1.504 . . . . 0.0 109.215 -178.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.75 162.26 32.75 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 124.363 0.982 . . . . 0.0 114.149 175.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 52.43 43.44 30.93 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 126.051 1.74 . . . . 0.0 113.715 174.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.2 p -73.69 135.97 26.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 124.012 0.925 . . . . 0.0 111.133 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.6 mt -94.48 -35.15 12.43 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.365 1.066 . . . . 0.0 112.275 175.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -155.15 143.48 20.33 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.019 0.928 . . . . 0.0 112.355 -175.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.9 t -133.89 140.75 45.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 125.843 1.657 . . . . 0.0 109.716 174.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -134.01 146.44 50.4 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.711 1.605 . . . . 0.0 111.325 175.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -121.34 130.84 53.85 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.458 1.503 . . . . 0.0 111.263 176.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -131.35 156.91 44.69 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.285 1.834 . . . . 0.0 109.27 173.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.39 -25.58 55.05 Favored Glycine 0 CA--C 1.541 1.687 0 O-C-N 120.677 -1.264 . . . . 0.0 115.146 -174.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.87 -39.29 11.99 Favored Glycine 0 CA--C 1.539 1.55 0 CA-C-N 118.408 1.104 . . . . 0.0 114.755 172.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -163.76 155.14 16.52 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 119.171 1.485 . . . . 0.0 113.89 -171.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.8 t -87.89 147.8 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 124.254 1.022 . . . . 0.0 110.284 160.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -134.95 142.88 46.6 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 126.479 1.912 . . . . 0.0 110.578 177.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -148.49 145.64 18.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 124.074 0.95 . . . . 0.0 112.181 -174.086 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 42.3 m -133.85 132.67 40.64 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.497 1.119 . . . . 0.0 112.547 -177.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 44.5 p -102.74 167.14 10.08 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.581 1.552 . . . . 0.0 113.392 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.45 -8.99 45.75 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.552 1.316 . . . . 0.0 114.552 171.12 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -78.19 1.85 20.08 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.285 1.034 . . . . 0.0 112.595 171.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.306 2.0 p30 56.77 10.95 0.81 Allowed 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 128.936 2.895 . . . . 0.0 114.686 -165.252 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -74.37 129.01 36.98 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.349 1.06 . . . . 0.0 111.187 171.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -102.43 148.36 25.6 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.177 1.391 . . . . 0.0 111.426 175.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -134.07 145.06 49.03 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.094 1.758 . . . . 0.0 110.36 179.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -148.43 140.71 24.17 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.17 0.988 . . . . 0.0 112.084 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -142.23 101.63 5.7 Favored Pre-proline 0 CA--C 1.545 0.751 0 C-N-CA 124.567 1.147 . . . . 0.0 111.967 -170.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -61.34 148.09 93.85 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 123.374 2.716 . . . . 0.0 114.07 176.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.16 3.89 82.54 Favored Glycine 0 CA--C 1.539 1.542 0 C-N-CA 125.358 1.456 . . . . 0.0 115.674 175.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 73.0 mt -100.83 163.62 12.23 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.645 1.223 . . . . 0.0 113.411 177.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.83 160.06 40.97 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 127.94 2.496 . . . . 0.0 109.483 163.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 20.6 mt -71.57 123.38 25.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 O-C-N 120.484 -1.385 . . . . 0.0 108.894 175.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.5 -34.19 5.1 Favored Glycine 0 CA--C 1.529 0.922 0 C-N-CA 124.839 1.209 . . . . 0.0 114.195 -174.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -158.02 147.66 19.88 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 118.463 1.131 . . . . 0.0 111.474 -173.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.7 t -130.91 126.84 60.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 160.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -117.09 111.36 19.42 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.875 1.27 . . . . 0.0 109.412 174.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -81.93 -15.17 54.78 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.492 1.117 . . . . 0.0 112.646 -172.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 34.2 mtm180 -70.19 -35.13 73.72 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.273 1.029 . . . . 0.0 111.468 175.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 80.5 p -105.56 -11.81 16.22 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.911 1.684 . . . . 0.0 113.539 177.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.86 30.6 67.94 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 124.977 1.275 . . . . 0.0 113.926 -177.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.3 t -104.41 126.64 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.696 1.199 . . . . 0.0 112.123 -175.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.5 mt -97.13 134.5 34.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 126.073 1.749 . . . . 0.0 107.667 162.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.4 t -127.65 132.9 49.67 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.215 1.006 . . . . 0.0 111.871 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.9 mt -98.49 152.14 19.86 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.746 1.219 . . . . 0.0 112.23 178.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -135.16 160.29 40.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 126.915 2.086 . . . . 0.0 110.908 178.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -68.2 130.12 41.98 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.424 -0.797 . . . . 0.0 111.411 175.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -69.54 -18.63 63.68 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -168.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -139.56 149.58 44.04 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.84 1.256 . . . . 0.0 110.818 165.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -125.09 19.62 8.32 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 124.752 1.221 . . . . 0.0 113.154 -171.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 70.2 mtm180 . . . . . 0 C--O 1.257 1.493 0 C-N-CA 125.955 1.702 . . . . 0.0 112.809 -179.846 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.588 0 CA-C-O 119.802 -0.443 . . . . 0.0 112.027 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -66.68 148.22 82.7 Favored 'Trans proline' 0 CA--C 1.542 0.877 0 C-N-CA 123.376 2.717 . . . . 0.0 112.956 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -75.96 146.54 33.77 Favored Glycine 0 CA--C 1.538 1.522 0 C-N-CA 124.322 0.963 . . . . 0.0 113.596 177.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 89.9 p -77.06 155.98 32.1 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.372 1.069 . . . . 0.0 112.49 176.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.8 pmm? -102.1 5.61 40.52 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.672 1.589 . . . . 0.0 113.847 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 62.6 m 60.31 172.68 0.09 Allowed 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 126.882 2.073 . . . . 0.0 114.409 -169.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 60.2 mtm -138.75 151.17 46.88 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.279 1.431 . . . . 0.0 111.813 -171.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.68 163.31 18.34 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.154 0.982 . . . . 0.0 113.366 -178.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -96.79 141.81 29.56 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.487 1.915 . . . . 0.0 110.405 165.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 59.6 t -113.92 141.89 28.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 125.273 1.429 . . . . 0.0 109.76 169.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -139.73 143.03 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 125.214 1.406 . . . . 0.0 112.042 178.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 pp -144.45 154.56 43.07 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.89 1.676 . . . . 0.0 111.178 178.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 37.2 m -119.4 122.3 41.46 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.25 1.02 . . . . 0.0 110.101 172.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -71.86 163.7 27.36 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.385 1.074 . . . . 0.0 112.037 178.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.03 -27.39 68.29 Favored 'General case' 0 CA--C 1.552 1.047 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 -178.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -79.56 2.97 20.29 Favored 'General case' 0 CA--C 1.556 1.181 0 C-N-CA 125.592 1.557 . . . . 0.0 113.659 174.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.36 0.49 90.11 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 125.71 1.624 . . . . 0.0 115.242 -177.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.99 114.77 4.06 Favored Glycine 0 CA--C 1.532 1.133 0 CA-C-N 118.849 1.325 . . . . 0.0 112.589 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 19.4 ttp180 -77.5 144.96 37.29 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 124.564 1.146 . . . . 0.0 112.707 176.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 60.0 t -132.2 134.84 59.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 126.133 1.773 . . . . 0.0 109.207 176.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -132.55 137.45 47.13 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.394 1.478 . . . . 0.0 111.2 -173.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 65.6 mt -134.91 111.83 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 125.388 1.475 . . . . 0.0 109.154 -172.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.94 158.9 35.44 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 123.562 0.601 . . . . 0.0 113.558 175.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 56.61 48.86 15.69 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.744 1.618 . . . . 0.0 114.866 167.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 19.1 m -76.83 134.51 28.62 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 O-C-N 121.086 -1.008 . . . . 0.0 111.91 168.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 91.8 mt -75.98 -35.11 59.74 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.409 1.084 . . . . 0.0 110.509 165.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -155.97 149.21 24.54 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.791 1.236 . . . . 0.0 111.994 -172.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 7.1 p -140.18 141.64 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 126.215 1.806 . . . . 0.0 109.963 172.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -137.75 131.48 31.35 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.606 1.563 . . . . 0.0 111.054 -177.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.03 114.22 26.69 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.512 1.125 . . . . 0.0 109.181 161.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -157.35 144.86 18.72 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.156 1.382 . . . . 0.0 112.054 -174.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.62 22.95 66.53 Favored Glycine 0 CA--C 1.537 1.442 0 N-CA-C 115.605 1.002 . . . . 0.0 115.605 176.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.33 21.22 73.55 Favored Glycine 0 CA--C 1.536 1.361 0 CA-C-N 118.558 1.179 . . . . 0.0 114.408 -173.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.89 169.03 18.34 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.613 1.965 . . . . 0.0 111.179 -177.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 77.8 t -109.72 142.16 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 O-C-N 121.464 -0.772 . . . . 0.0 110.908 162.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 25.0 mtp-105 -126.22 152.97 45.36 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.294 1.437 . . . . 0.0 111.133 169.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 29.4 m -132.45 153.17 37.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 125.765 1.626 . . . . 0.0 111.915 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 54.9 m -129.44 131.2 46.69 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.613 1.565 . . . . 0.0 109.78 174.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 23.4 p -110.9 169.05 9.02 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.316 1.046 . . . . 0.0 113.392 -175.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -56.23 -19.06 12.25 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 115.446 1.646 . . . . 0.0 115.446 175.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -82.85 2.36 34.63 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.168 1.387 . . . . 0.0 113.196 176.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 60.64 14.86 5.28 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 126.031 1.732 . . . . 0.0 113.94 -165.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -76.42 154.05 35.14 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.968 0.907 . . . . 0.0 111.8 170.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -132.18 146.29 51.93 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 124.646 1.178 . . . . 0.0 111.675 173.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -138.3 154.53 49.01 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.613 1.565 . . . . 0.0 110.871 -178.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -140.77 144.13 35.3 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.926 0.89 . . . . 0.0 113.21 -171.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -141.8 93.69 7.5 Favored Pre-proline 0 CA--C 1.544 0.735 0 C-N-CA 125.61 1.564 . . . . 0.0 110.396 -170.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -62.86 149.56 91.06 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 123.738 2.959 . . . . 0.0 114.048 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.86 4.19 90.44 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 125.0 1.286 . . . . 0.0 114.872 176.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 57.2 mt -106.77 160.4 15.51 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.984 1.314 . . . . 0.0 113.838 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.49 162.66 34.81 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 127.617 2.367 . . . . 0.0 109.862 165.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 30.6 mt -73.7 125.31 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 O-C-N 121.363 -0.836 . . . . 0.0 109.014 176.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -108.45 -34.24 2.72 Favored Glycine 0 CA--C 1.532 1.133 0 C-N-CA 124.189 0.899 . . . . 0.0 115.27 -170.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -157.59 148.98 21.71 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 118.342 1.071 . . . . 0.0 111.46 -177.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 38.7 t -138.12 122.0 21.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 125.432 1.493 . . . . 0.0 110.04 176.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -109.65 102.84 11.64 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.544 1.138 . . . . 0.0 110.317 177.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -74.92 -18.37 60.42 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.656 -0.652 . . . . 0.0 112.568 -178.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 84.7 mtp180 -65.2 -23.3 67.05 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.946 1.298 . . . . 0.0 113.237 170.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 50.6 m -122.89 -18.03 6.6 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.117 1.367 . . . . 0.0 114.207 -177.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.45 31.19 59.25 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.622 1.106 . . . . 0.0 113.74 -175.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 17.8 t -117.51 135.93 56.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.666 1.186 . . . . 0.0 111.67 -175.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 97.0 mt -117.31 118.8 59.83 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 C-N-CA 127.666 2.386 . . . . 0.0 108.6 -176.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 18.2 m -103.06 131.37 50.1 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.731 1.212 . . . . 0.0 111.219 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 21.7 mt -95.96 153.57 17.69 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.623 1.169 . . . . 0.0 111.928 175.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -135.26 161.64 39.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 C-N-CA 126.836 2.054 . . . . 0.0 111.029 178.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -69.0 132.3 46.45 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.536 -0.728 . . . . 0.0 111.228 175.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -71.77 -23.22 61.55 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.847 1.425 . . . . 0.0 114.847 -164.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -138.05 143.23 40.42 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.763 1.625 . . . . 0.0 110.613 171.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -138.57 34.37 2.24 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.822 1.649 . . . . 0.0 111.829 -169.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 92.4 mtt-85 . . . . . 0 C--O 1.253 1.261 0 C-N-CA 126.397 1.879 . . . . 0.0 112.369 -175.341 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.357 0 CA-C-O 119.474 -0.625 . . . . 0.0 111.666 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -61.05 158.33 34.84 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 124.337 3.358 . . . . 0.0 114.137 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -143.99 13.31 2.14 Favored Glycine 0 CA--C 1.543 1.792 0 C-N-CA 125.11 1.338 . . . . 0.0 114.561 178.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 73.4 p -74.91 -23.76 58.41 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.149 1.38 . . . . 0.0 113.649 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.85 163.26 17.23 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.162 1.785 . . . . 0.0 113.128 175.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 16.4 t -151.59 165.86 32.99 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.363 1.865 . . . . 0.0 110.001 175.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -59.45 142.3 52.73 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.27 -0.894 . . . . 0.0 112.996 177.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.17 178.38 8.44 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.138 1.375 . . . . 0.0 113.051 177.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.2 133.16 53.61 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.739 1.615 . . . . 0.0 110.806 164.027 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.6 t -100.55 144.26 12.87 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 124.907 1.283 . . . . 0.0 110.508 -179.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.8 p -133.35 142.79 40.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 125.172 1.389 . . . . 0.0 111.719 170.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 pp -149.5 158.4 44.14 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.435 1.494 . . . . 0.0 112.682 -178.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.8 m -111.05 130.81 55.48 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.174 1.39 . . . . 0.0 110.33 171.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -80.62 163.81 23.35 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.306 1.442 . . . . 0.0 111.993 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.36 -21.12 65.07 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.978 0.911 . . . . 0.0 112.92 167.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -69.66 -10.78 59.62 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.505 1.522 . . . . 0.0 113.574 171.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.18 -9.64 53.01 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 125.4 1.476 . . . . 0.0 114.718 -171.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.89 169.69 54.76 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.871 1.224 . . . . 0.0 112.88 170.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 84.4 mtt180 -125.87 152.97 44.83 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.406 1.082 . . . . 0.0 112.797 -178.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.9 t -133.35 140.27 47.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 126.369 1.868 . . . . 0.0 109.809 -176.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -126.78 140.69 52.19 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.777 1.631 . . . . 0.0 111.369 176.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.0 mt -136.24 110.73 10.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 124.8 1.24 . . . . 0.0 109.874 -172.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.6 162.5 30.46 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.51 1.052 . . . . 0.0 114.35 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 54.09 42.02 31.77 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.414 1.886 . . . . 0.0 114.009 174.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.6 p -72.87 126.27 33.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 O-C-N 121.231 -0.918 . . . . 0.0 111.092 178.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.0 mt -83.16 -34.8 25.93 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.712 1.205 . . . . 0.0 111.505 173.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 65.2 tt0 -153.35 142.64 21.53 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.663 1.185 . . . . 0.0 112.27 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.9 p -132.22 145.64 34.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 126.104 1.762 . . . . 0.0 110.145 170.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -153.09 147.0 25.33 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.279 1.031 . . . . 0.0 112.722 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.94 112.61 24.3 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.85 1.26 . . . . 0.0 108.96 168.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 72.8 tt0 -153.36 130.99 11.5 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.72 0.808 . . . . 0.0 112.929 -171.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.49 35.85 92.59 Favored Glycine 0 CA--C 1.536 1.36 0 O-C-N 121.186 -0.946 . . . . 0.0 114.529 172.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.81 18.49 77.09 Favored Glycine 0 CA--C 1.537 1.443 0 N-CA-C 115.229 0.851 . . . . 0.0 115.229 -179.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.76 153.71 39.59 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.261 1.424 . . . . 0.0 111.477 178.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 66.9 t -88.68 139.87 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 O-C-N 121.865 -0.522 . . . . 0.0 110.091 160.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.3 mtt-85 -131.39 142.29 50.02 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 125.925 1.69 . . . . 0.0 109.266 -173.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.2 m -131.96 150.7 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 125.065 1.346 . . . . 0.0 111.997 -175.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 57.4 m -127.3 124.82 39.65 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.881 1.672 . . . . 0.0 109.541 170.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 40.5 p -98.14 166.57 11.35 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.512 1.125 . . . . 0.0 113.413 -176.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.3 tp -48.93 -31.06 6.71 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.968 2.107 . . . . 0.0 113.706 173.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -84.85 6.96 22.58 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.478 1.511 . . . . 0.0 113.893 -177.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 61.65 11.15 3.75 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.927 2.091 . . . . 0.0 114.606 -169.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -80.03 147.35 31.54 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.111 0.964 . . . . 0.0 111.408 172.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -130.12 148.2 51.94 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.205 1.402 . . . . 0.0 112.078 -176.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -140.99 158.84 43.37 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.285 1.434 . . . . 0.0 111.51 177.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.42 145.92 34.31 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.734 1.214 . . . . 0.0 112.37 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -138.72 94.88 10.11 Favored Pre-proline 0 CA--C 1.542 0.66 0 C-N-CA 126.388 1.875 . . . . 0.0 110.638 -168.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -60.9 148.51 92.23 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 123.666 2.911 . . . . 0.0 114.748 -178.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.2 1.01 87.61 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 124.986 1.279 . . . . 0.0 114.988 176.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 52.6 mt -97.28 162.69 13.23 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 118.985 1.393 . . . . 0.0 114.05 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.98 161.95 36.36 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 127.282 2.233 . . . . 0.0 110.74 162.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 41.5 mt -73.67 120.69 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 O-C-N 121.2 -0.938 . . . . 0.0 109.462 175.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.76 -48.11 2.0 Favored Glycine 0 CA--C 1.529 0.912 0 C-N-CA 124.115 0.864 . . . . 0.0 113.931 -173.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 75.9 ttt-85 -147.54 146.62 29.51 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.845 1.258 . . . . 0.0 112.186 -176.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 50.4 t -133.73 123.06 44.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 126.652 1.981 . . . . 0.0 108.384 177.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -124.58 94.84 4.32 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.238 1.415 . . . . 0.0 110.585 -170.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -74.76 -8.68 57.17 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.38 1.472 . . . . 0.0 113.241 -171.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 58.2 mtt85 -64.32 -23.91 67.46 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.527 1.131 . . . . 0.0 112.789 173.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.3 t -137.28 -21.55 1.18 Allowed 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 126.204 1.802 . . . . 0.0 113.507 178.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 85.44 36.78 10.31 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 120.956 -1.09 . . . . 0.0 113.081 -172.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.2 t -89.81 137.79 20.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 CA-C-N 118.055 0.927 . . . . 0.0 109.98 173.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 66.3 mt -124.0 129.94 74.04 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 C-N-CA 125.649 1.58 . . . . 0.0 108.809 172.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.8 m -121.77 128.17 51.44 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.649 1.18 . . . . 0.0 110.904 -177.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.8 mt -94.67 153.95 17.57 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.641 0.776 . . . . 0.0 112.422 178.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.6 pt -123.38 163.7 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 127.294 2.238 . . . . 0.0 109.929 176.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 -68.54 135.6 51.8 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.367 -0.833 . . . . 0.0 109.302 159.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -69.34 -23.54 63.79 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 121.397 -0.815 . . . . 0.0 112.792 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -144.0 151.18 39.38 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.827 2.051 . . . . 0.0 110.312 171.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -125.42 9.7 7.87 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 124.768 1.227 . . . . 0.0 113.641 -178.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 . . . . . 0 C--O 1.253 1.241 0 C-N-CA 125.409 1.484 . . . . 0.0 112.404 174.888 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.633 0 CA-C-O 119.752 -0.471 . . . . 0.0 112.085 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -60.86 157.18 39.47 Favored 'Trans proline' 0 CA--C 1.537 0.665 0 C-N-CA 124.145 3.23 . . . . 0.0 114.444 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -74.58 -174.48 32.55 Favored Glycine 0 CA--C 1.541 1.68 0 C-N-CA 124.615 1.102 . . . . 0.0 113.684 172.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 24.1 t -146.1 140.06 26.45 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.325 1.05 . . . . 0.0 112.277 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ptp -160.99 170.79 19.87 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 127.407 2.283 . . . . 0.0 109.778 178.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 50.7 m 61.16 21.17 11.63 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 116.022 1.86 . . . . 0.0 116.022 174.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -49.63 -48.56 49.1 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 126.189 1.795 . . . . 0.0 112.598 -176.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -160.24 171.03 19.92 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.864 1.665 . . . . 0.0 110.45 170.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 58.8 pttt -134.63 153.76 51.82 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.236 1.414 . . . . 0.0 111.941 168.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 75.5 t -99.15 146.48 8.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 125.393 1.477 . . . . 0.0 110.254 172.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 9.4 p -137.91 140.04 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 C-N-CA 125.36 1.464 . . . . 0.0 111.194 171.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -148.42 157.63 43.6 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.402 1.481 . . . . 0.0 112.442 -176.111 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 14.7 m -112.45 130.93 55.82 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.052 1.341 . . . . 0.0 110.505 173.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -80.87 163.66 23.23 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.235 1.414 . . . . 0.0 112.774 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.92 -20.56 65.31 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 123.597 0.759 . . . . 0.0 112.841 166.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -69.46 -11.62 60.97 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 125.069 1.348 . . . . 0.0 113.92 171.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.62 -9.9 57.62 Favored Glycine 0 CA--C 1.54 1.632 0 C-N-CA 125.507 1.527 . . . . 0.0 114.843 -171.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.02 171.12 55.12 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.991 1.282 . . . . 0.0 113.016 171.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -125.05 152.02 44.84 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.771 1.229 . . . . 0.0 112.917 -178.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 84.3 t -134.99 145.5 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 126.718 2.007 . . . . 0.0 109.801 -176.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -133.94 149.14 51.26 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.429 1.492 . . . . 0.0 111.95 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -131.37 113.98 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 125.543 1.537 . . . . 0.0 109.237 177.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.9 163.81 33.64 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.426 1.012 . . . . 0.0 114.635 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 53.25 44.98 29.45 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.929 1.692 . . . . 0.0 113.876 175.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 28.5 m -75.24 138.29 21.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 O-C-N 120.673 -1.267 . . . . 0.0 111.827 -178.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 97.0 mt -92.06 -29.88 16.32 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.138 1.375 . . . . 0.0 111.967 170.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 61.7 tt0 -156.14 146.45 21.57 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 124.049 0.94 . . . . 0.0 112.433 -177.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 19.5 t -142.09 135.94 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 125.979 1.712 . . . . 0.0 108.549 173.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -145.99 144.82 30.35 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.146 0.979 . . . . 0.0 112.914 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.16 119.2 30.29 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.135 1.374 . . . . 0.0 108.776 168.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -155.7 128.05 7.73 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.856 0.862 . . . . 0.0 111.651 -166.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.88 26.04 69.75 Favored Glycine 0 CA--C 1.538 1.53 0 N-CA-C 116.074 1.19 . . . . 0.0 116.074 173.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.33 19.45 74.23 Favored Glycine 0 CA--C 1.54 1.608 0 CA-C-N 118.079 0.94 . . . . 0.0 114.172 -173.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.71 170.63 15.73 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.279 1.831 . . . . 0.0 110.724 178.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 75.2 t -104.18 140.16 23.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 O-C-N 121.649 -0.657 . . . . 0.0 110.436 160.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -128.14 141.01 51.61 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.66 1.984 . . . . 0.0 109.801 177.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -150.67 146.12 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.825 0.85 . . . . 0.0 112.41 -168.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 30.8 m -126.87 138.92 53.39 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.476 1.91 . . . . 0.0 111.143 -175.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 26.4 p -104.98 167.25 9.83 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 -177.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 54.5 tp -51.15 -32.31 22.67 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 127.772 2.429 . . . . 0.0 113.396 171.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -87.31 8.49 24.06 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.969 1.708 . . . . 0.0 113.112 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 26.8 t0 61.33 24.62 14.7 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 127.022 2.129 . . . . 0.0 114.1 -176.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -85.62 150.97 24.26 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.008 0.923 . . . . 0.0 110.682 169.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -121.44 144.7 48.54 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.45 1.5 . . . . 0.0 111.862 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -134.54 152.73 51.98 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.76 1.624 . . . . 0.0 110.808 178.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.4 142.54 30.4 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.791 1.236 . . . . 0.0 112.077 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -139.96 90.89 10.54 Favored Pre-proline 0 CA--C 1.543 0.693 0 C-N-CA 125.228 1.411 . . . . 0.0 110.794 -171.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -60.94 144.85 99.66 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.523 2.815 . . . . 0.0 113.28 178.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.34 5.2 90.18 Favored Glycine 0 CA--C 1.533 1.192 0 CA-C-O 118.986 -0.897 . . . . 0.0 114.888 178.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 36.7 mt -104.89 163.42 12.53 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 119.152 1.476 . . . . 0.0 113.334 176.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.19 162.33 35.88 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 127.779 2.432 . . . . 0.0 109.535 164.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 53.6 mt -75.09 121.89 27.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 O-C-N 121.03 -1.043 . . . . 0.0 108.956 176.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -98.13 -38.04 4.18 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 124.45 1.024 . . . . 0.0 114.358 -175.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 75.2 ttt-85 -157.64 144.57 18.14 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.752 1.221 . . . . 0.0 111.576 -174.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 14.6 t -125.97 128.23 71.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 123.461 0.704 . . . . 0.0 109.706 166.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -115.3 95.36 5.14 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.383 1.873 . . . . 0.0 110.109 -177.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -75.79 -11.28 59.95 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.941 1.296 . . . . 0.0 112.916 -172.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 44.8 mtt85 -65.26 -33.36 75.81 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.775 1.23 . . . . 0.0 112.078 172.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 49.9 m -126.26 -4.88 6.7 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.698 1.599 . . . . 0.0 114.05 -175.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.44 41.21 67.46 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 124.935 1.255 . . . . 0.0 113.723 -178.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 55.2 t -111.2 126.74 68.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 CA-C-N 118.305 1.053 . . . . 0.0 111.809 -177.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 79.8 mt -107.68 111.54 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 C-N-CA 126.644 1.978 . . . . 0.0 108.59 175.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 36.0 m -100.42 125.49 46.71 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.182 0.993 . . . . 0.0 111.307 -178.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 18.1 mt -95.3 152.36 18.44 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.219 1.008 . . . . 0.0 111.475 176.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -133.55 159.7 42.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 126.987 2.115 . . . . 0.0 110.401 177.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -73.69 137.12 43.87 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 121.392 -0.818 . . . . 0.0 111.622 175.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -73.88 -19.42 60.72 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.955 0.902 . . . . 0.0 112.868 178.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -93.14 149.96 20.85 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.905 1.682 . . . . 0.0 112.331 170.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -122.26 39.95 3.77 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 125.781 1.633 . . . . 0.0 111.089 173.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 35.7 ptt-85 . . . . . 0 C--O 1.253 1.24 0 C-N-CA 126.538 1.935 . . . . 0.0 113.854 179.92 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.67 0 CA-C-O 119.547 -0.585 . . . . 0.0 112.109 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -67.31 149.44 81.08 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 C-N-CA 123.84 3.027 . . . . 0.0 112.444 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -72.56 -27.84 68.67 Favored Glycine 0 CA--C 1.536 1.376 0 O-C-N 121.78 -0.575 . . . . 0.0 113.725 177.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 34.5 t -159.72 145.51 15.78 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.772 1.629 . . . . 0.0 110.961 174.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ptm -156.02 163.35 39.81 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.634 1.573 . . . . 0.0 111.456 176.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 29.4 p -143.77 165.24 28.22 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.612 1.565 . . . . 0.0 110.864 172.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 62.8 mtm -137.53 159.84 40.82 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.125 1.37 . . . . 0.0 112.228 -172.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.6 177.42 6.55 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.931 1.293 . . . . 0.0 113.324 178.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -136.5 130.55 32.68 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 126.196 1.798 . . . . 0.0 110.4 165.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 45.4 t -100.43 142.01 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 124.295 1.038 . . . . 0.0 110.663 -173.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.8 p -137.77 143.66 33.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 125.543 1.537 . . . . 0.0 111.583 173.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -151.13 160.97 43.56 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.74 1.616 . . . . 0.0 112.177 177.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.8 m -114.94 128.22 56.15 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.327 1.451 . . . . 0.0 109.71 171.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -79.47 161.73 25.89 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.585 1.554 . . . . 0.0 112.776 -178.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.09 -21.02 64.64 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 123.929 0.892 . . . . 0.0 112.821 166.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -68.57 -11.23 59.7 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.802 1.241 . . . . 0.0 113.736 170.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.55 -9.32 59.17 Favored Glycine 0 CA--C 1.538 1.493 0 C-N-CA 125.877 1.703 . . . . 0.0 114.398 -172.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.39 170.52 54.87 Favored Glycine 0 CA--C 1.534 1.219 0 CA-C-N 118.661 1.23 . . . . 0.0 113.597 172.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -124.97 154.96 40.39 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.995 1.318 . . . . 0.0 113.106 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 42.1 t -131.2 142.2 44.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 126.634 1.974 . . . . 0.0 109.373 -176.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -136.87 145.52 44.48 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.821 1.248 . . . . 0.0 111.551 176.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.6 mt -136.37 124.4 35.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 124.732 1.213 . . . . 0.0 109.615 -177.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -95.2 162.02 23.58 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 124.627 1.108 . . . . 0.0 113.806 175.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 51.02 46.45 26.4 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.574 1.55 . . . . 0.0 112.99 -179.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 74.5 t -75.2 120.75 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 124.088 0.955 . . . . 0.0 109.785 177.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.9 tp -98.17 -23.36 15.73 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.355 1.462 . . . . 0.0 112.28 -175.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -160.95 150.53 17.11 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.862 0.865 . . . . 0.0 112.007 173.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 30.6 m -132.6 150.36 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 C-N-CA 124.743 1.217 . . . . 0.0 111.889 165.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -140.51 138.98 34.99 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.595 1.558 . . . . 0.0 111.627 176.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -88.86 139.52 30.38 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.373 1.069 . . . . 0.0 110.758 166.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -120.07 173.42 7.1 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 127.018 2.127 . . . . 0.0 110.848 171.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -70.36 46.18 0.65 Allowed Glycine 0 CA--C 1.541 1.669 0 C-N-CA 126.547 2.022 . . . . 0.0 115.38 -179.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 152.21 -1.8 0.32 Allowed Glycine 0 CA--C 1.542 1.757 0 C-N-CA 126.173 1.844 . . . . 0.0 115.68 -178.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -157.16 162.78 39.35 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.748 1.774 . . . . 0.0 113.561 -174.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.6 t -105.12 144.01 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 123.905 0.882 . . . . 0.0 110.54 161.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -118.22 148.73 42.1 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 126.281 1.832 . . . . 0.0 111.097 170.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.9 t -132.55 140.9 46.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 126.439 1.896 . . . . 0.0 109.236 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.3 m -121.8 124.68 44.75 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.319 1.447 . . . . 0.0 109.798 171.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 48.8 p -87.75 168.39 13.0 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.0 0.92 . . . . 0.0 113.164 176.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.8 tp -48.47 -33.88 10.15 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.958 1.703 . . . . 0.0 113.734 167.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -83.96 6.87 20.23 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.745 1.618 . . . . 0.0 113.767 -174.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 61.18 11.24 3.39 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 127.076 2.151 . . . . 0.0 114.57 -170.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -77.13 131.97 38.59 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.072 -1.018 . . . . 0.0 110.577 170.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -98.8 149.5 22.82 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.137 0.975 . . . . 0.0 112.836 173.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -129.88 151.85 49.99 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.944 1.698 . . . . 0.0 110.226 170.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -140.67 143.22 34.99 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.037 0.935 . . . . 0.0 112.489 -177.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -138.61 91.58 12.08 Favored Pre-proline 0 CA--C 1.539 0.551 0 C-N-CA 125.293 1.437 . . . . 0.0 110.749 -173.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -67.68 147.5 75.99 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 123.006 2.471 . . . . 0.0 111.935 177.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.01 2.64 90.67 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 125.292 1.425 . . . . 0.0 114.601 -178.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 43.7 mt -108.82 165.16 11.77 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 118.808 1.304 . . . . 0.0 113.311 177.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.0 160.29 39.74 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 127.756 2.423 . . . . 0.0 109.889 163.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 34.2 mt -68.22 120.75 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 O-C-N 120.96 -1.087 . . . . 0.0 108.856 174.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -107.92 -39.65 1.82 Allowed Glycine 0 CA--C 1.531 1.04 0 C-N-CA 124.268 0.937 . . . . 0.0 115.073 -167.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 49.6 ttt180 -152.2 148.32 27.45 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 118.449 1.125 . . . . 0.0 111.586 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.7 t -133.29 129.41 56.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 125.269 1.428 . . . . 0.0 109.713 174.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -113.93 106.45 14.45 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.17 1.388 . . . . 0.0 110.903 172.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -79.19 -8.65 59.18 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.229 -0.92 . . . . 0.0 112.603 178.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.7 mtm180 -67.8 -23.16 65.17 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.298 1.839 . . . . 0.0 113.339 169.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 88.9 p -141.91 -10.05 0.9 Allowed 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 -171.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.27 6.32 88.85 Favored Glycine 0 CA--C 1.538 1.527 0 C-N-CA 125.493 1.521 . . . . 0.0 114.757 -177.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.9 t -74.02 133.08 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 CA-C-N 119.15 1.475 . . . . 0.0 111.686 -178.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 77.1 mt -116.02 125.71 73.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 126.855 2.062 . . . . 0.0 107.457 167.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 36.2 t -118.79 131.32 56.1 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.115 1.366 . . . . 0.0 110.776 -178.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.8 mt -101.59 148.11 25.62 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.448 1.099 . . . . 0.0 111.56 -178.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -128.58 157.74 41.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 125.965 1.706 . . . . 0.0 111.226 -178.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -71.49 125.48 27.15 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.573 -0.704 . . . . 0.0 112.065 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.38 -24.77 36.8 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.403 0.681 . . . . 0.0 112.629 173.195 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -84.02 134.69 34.62 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.066 1.346 . . . . 0.0 111.071 170.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 63.4 m-80 -138.72 29.54 2.35 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.285 1.434 . . . . 0.0 112.51 -174.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.286 0 C-N-CA 126.729 2.012 . . . . 0.0 112.925 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.448 0 CA-C-O 119.937 -0.368 . . . . 0.0 112.319 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -75.53 -10.56 20.41 Favored 'Trans proline' 0 CA--C 1.545 1.074 0 C-N-CA 124.354 3.369 . . . . 0.0 114.583 -176.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -68.98 165.9 48.1 Favored Glycine 0 CA--C 1.539 1.54 0 O-C-N 121.254 -0.903 . . . . 0.0 113.997 175.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 23.8 m 59.3 20.34 8.52 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 115.476 1.658 . . . . 0.0 115.476 -177.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ptm -151.22 170.79 18.6 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.788 2.035 . . . . 0.0 110.907 174.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 28.7 p -141.87 162.22 36.03 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.546 1.138 . . . . 0.0 113.061 -176.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 74.5 mtm -71.17 151.26 44.56 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.707 1.203 . . . . 0.0 112.759 177.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -82.66 173.66 11.72 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.25 1.02 . . . . 0.0 112.089 171.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -121.98 144.54 48.82 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.853 1.261 . . . . 0.0 110.922 164.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 73.2 t -99.84 144.05 12.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 125.117 1.367 . . . . 0.0 110.016 178.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 9.7 p -135.69 140.51 44.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 125.432 1.493 . . . . 0.0 111.496 173.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 pp -149.53 157.23 43.09 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.613 1.565 . . . . 0.0 112.709 -177.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 18.1 m -111.69 133.01 54.22 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.048 1.339 . . . . 0.0 111.16 177.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -83.37 161.7 21.28 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.454 1.502 . . . . 0.0 112.4 178.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.31 -21.66 65.43 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 169.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -70.33 -10.39 58.87 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.204 1.402 . . . . 0.0 113.917 172.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.14 -8.2 68.22 Favored Glycine 0 CA--C 1.539 1.587 0 C-N-CA 125.411 1.481 . . . . 0.0 114.44 -173.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.68 170.54 55.01 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 124.836 1.207 . . . . 0.0 112.927 170.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -126.84 153.56 45.5 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.633 1.173 . . . . 0.0 113.054 -179.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 68.9 t -132.88 144.17 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 126.376 1.871 . . . . 0.0 109.358 -176.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -131.76 149.11 52.57 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.098 1.359 . . . . 0.0 111.788 177.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -129.37 119.79 49.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 124.993 1.317 . . . . 0.0 109.142 173.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -94.74 170.82 29.76 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 124.847 1.213 . . . . 0.0 113.192 173.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 53.97 42.95 31.48 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.161 1.385 . . . . 0.0 113.46 178.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 70.1 t -80.81 121.61 34.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 125.436 1.495 . . . . 0.0 111.845 -176.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 89.9 mt -83.98 -32.5 24.95 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.807 1.243 . . . . 0.0 113.023 172.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -157.01 149.38 23.16 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.764 0.711 . . . . 0.0 112.294 -172.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 39.9 t -132.96 141.57 44.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 125.096 1.359 . . . . 0.0 109.716 170.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 41.3 mtt180 -134.22 136.13 43.46 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.801 1.64 . . . . 0.0 109.875 -179.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.75 136.8 52.67 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.479 1.112 . . . . 0.0 111.288 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -146.31 155.08 42.38 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.091 1.757 . . . . 0.0 109.651 175.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.44 -25.07 62.42 Favored Glycine 0 CA--C 1.535 1.318 0 O-C-N 121.45 -0.781 . . . . 0.0 114.558 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.84 -52.85 6.14 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 124.43 1.014 . . . . 0.0 113.5 172.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -160.78 147.98 15.54 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.589 1.156 . . . . 0.0 112.983 -173.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 70.0 t -83.05 137.69 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 123.462 0.705 . . . . 0.0 109.23 163.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -113.58 151.62 31.42 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.035 1.334 . . . . 0.0 111.064 173.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 41.2 t -136.51 141.33 41.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 125.318 1.447 . . . . 0.0 109.872 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 39.2 m -117.74 139.08 51.54 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.709 1.204 . . . . 0.0 110.634 177.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 25.4 p -128.84 155.06 45.81 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.182 1.393 . . . . 0.0 112.408 -178.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.41 -4.44 3.91 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 116.538 2.051 . . . . 0.0 116.538 -171.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -75.01 4.86 5.9 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.569 1.148 . . . . 0.0 113.289 167.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 59.43 25.47 14.22 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 126.628 1.971 . . . . 0.0 113.245 -164.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -90.74 154.79 19.28 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 124.509 1.124 . . . . 0.0 111.891 174.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -132.62 134.52 44.99 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 124.929 1.292 . . . . 0.0 110.903 174.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -114.07 154.05 28.39 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 126.638 1.975 . . . . 0.0 109.702 -176.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.96 137.91 26.47 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.538 0.735 . . . . 0.0 112.348 179.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -137.05 97.23 11.01 Favored Pre-proline 0 CA--C 1.546 0.801 0 C-N-CA 125.37 1.468 . . . . 0.0 111.034 -170.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_exo -61.58 148.89 91.94 Favored 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 123.966 3.11 . . . . 0.0 114.815 -178.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.88 19.69 78.36 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 124.337 0.97 . . . . 0.0 115.345 172.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 69.0 mt -112.45 166.73 11.04 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.347 1.459 . . . . 0.0 113.015 177.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -146.77 160.46 42.23 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 127.262 2.225 . . . . 0.0 109.938 164.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 50.6 mt -71.83 120.42 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 O-C-N 121.183 -0.948 . . . . 0.0 109.126 175.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.32 -41.75 6.44 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 124.726 1.155 . . . . 0.0 113.663 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 39.2 ptt85 -161.15 155.98 23.7 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.448 1.499 . . . . 0.0 112.708 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 24.9 t -132.91 114.79 22.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 C-N-CA 124.854 1.261 . . . . 0.0 108.763 171.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -111.17 89.0 2.92 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.479 1.112 . . . . 0.0 110.327 -167.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -67.76 -14.57 63.06 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 121.087 -1.008 . . . . 0.0 112.65 -176.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 53.9 mtm180 -60.48 -22.44 63.51 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.811 1.645 . . . . 0.0 113.743 166.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 21.3 t -132.86 -20.85 2.2 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.364 1.466 . . . . 0.0 113.905 -174.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.82 25.98 51.27 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 124.82 1.2 . . . . 0.0 113.714 -176.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 94.0 t -106.17 128.98 60.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.984 1.314 . . . . 0.0 111.843 -176.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 97.1 mt -102.19 117.82 48.12 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 C-N-CA 126.367 1.867 . . . . 0.0 107.95 165.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 32.7 t -106.38 126.32 52.1 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.423 0.689 . . . . 0.0 110.777 -178.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 32.9 mt -99.77 145.52 27.6 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.396 1.078 . . . . 0.0 111.891 175.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -133.76 156.68 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 126.295 1.838 . . . . 0.0 110.732 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 19.6 mp0 -70.86 129.8 40.01 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 121.363 -0.835 . . . . 0.0 112.283 -179.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -84.13 -13.42 52.97 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -132.79 142.74 49.15 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.919 1.688 . . . . 0.0 111.254 167.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -90.29 4.79 49.66 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.452 1.501 . . . . 0.0 113.991 -178.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 . . . . . 0 C--O 1.255 1.392 0 C-N-CA 127.177 2.191 . . . . 0.0 113.296 -174.944 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.716 0 CA-C-O 119.848 -0.418 . . . . 0.0 112.133 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -68.08 -29.45 33.47 Favored 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 123.58 2.854 . . . . 0.0 113.298 -178.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -74.14 -13.01 81.48 Favored Glycine 0 CA--C 1.539 1.575 0 C-N-CA 124.635 1.112 . . . . 0.0 114.612 174.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 14.2 m -76.22 -1.67 27.57 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.202 1.401 . . . . 0.0 114.072 -178.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 ppp? -139.97 166.73 23.85 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.103 1.761 . . . . 0.0 111.625 177.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 39.0 t -153.16 154.43 34.75 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.265 1.426 . . . . 0.0 111.149 176.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 5.2 mpp? -63.19 152.93 36.1 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.654 1.182 . . . . 0.0 113.301 173.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.74 177.64 8.78 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.526 1.53 . . . . 0.0 112.292 171.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -124.79 149.42 47.41 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.662 1.185 . . . . 0.0 111.466 161.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 53.8 t -100.15 144.34 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 125.333 1.453 . . . . 0.0 110.24 174.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.5 p -135.74 140.71 43.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 125.622 1.569 . . . . 0.0 111.764 173.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -145.27 155.42 43.22 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.753 1.621 . . . . 0.0 111.879 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.8 m -113.6 133.89 55.02 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.704 1.201 . . . . 0.0 111.316 -178.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -88.12 161.99 17.0 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.658 1.983 . . . . 0.0 112.684 -178.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.94 -25.2 68.03 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.057 1.343 . . . . 0.0 113.82 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 54.1 p-10 -82.09 1.07 37.68 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 124.832 1.253 . . . . 0.0 113.948 173.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.57 -0.19 88.19 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 125.495 1.521 . . . . 0.0 114.793 -178.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.88 170.37 54.19 Favored Glycine 0 CA--C 1.532 1.13 0 CA-C-N 118.762 1.281 . . . . 0.0 112.745 170.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -129.37 152.71 48.63 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.738 1.215 . . . . 0.0 112.962 177.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 87.6 t -129.54 140.49 48.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 126.642 1.977 . . . . 0.0 109.252 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -129.88 145.33 51.6 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.021 1.328 . . . . 0.0 111.25 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -126.32 109.94 22.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 125.321 1.448 . . . . 0.0 107.965 175.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.27 163.3 41.04 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 124.251 0.929 . . . . 0.0 113.787 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 52.98 48.18 22.99 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.954 1.702 . . . . 0.0 113.932 172.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.3 t -79.77 126.31 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 126.415 1.886 . . . . 0.0 112.241 -178.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 86.2 mt -80.73 -36.65 31.8 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.716 1.206 . . . . 0.0 112.3 172.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -158.6 150.03 20.86 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -175.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.5 t -134.11 142.17 41.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 126.24 1.816 . . . . 0.0 109.827 172.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -138.38 147.28 43.24 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.569 1.548 . . . . 0.0 111.493 174.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -117.52 120.74 39.01 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.392 1.477 . . . . 0.0 109.998 176.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -159.47 132.56 6.96 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.262 1.025 . . . . 0.0 112.253 -168.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.12 26.41 71.48 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 124.244 0.926 . . . . 0.0 115.404 172.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.98 26.65 64.01 Favored Glycine 0 CA--C 1.541 1.706 0 CA-C-N 118.313 1.056 . . . . 0.0 113.653 -174.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.59 159.19 42.89 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.913 1.685 . . . . 0.0 111.466 179.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 72.3 t -112.32 142.67 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 123.71 0.804 . . . . 0.0 110.904 171.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -125.58 144.3 50.63 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.351 1.86 . . . . 0.0 109.793 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.7 t -137.3 145.34 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 125.534 1.534 . . . . 0.0 111.058 -173.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 86.6 m -124.53 128.77 49.44 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.781 1.233 . . . . 0.0 111.307 171.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 37.8 p -94.43 170.69 9.31 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.921 1.288 . . . . 0.0 112.826 177.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -58.31 -17.98 23.72 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 175.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -80.06 -0.96 37.82 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.684 1.194 . . . . 0.0 113.329 175.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 61.93 11.7 4.36 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.472 1.909 . . . . 0.0 113.888 -162.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -75.01 130.23 38.99 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.373 1.069 . . . . 0.0 111.277 174.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -96.87 148.43 22.94 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.425 1.09 . . . . 0.0 112.542 178.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -131.79 154.95 48.58 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.945 1.698 . . . . 0.0 110.453 171.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.81 146.22 35.63 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.05 0.94 . . . . 0.0 112.341 176.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -138.88 87.98 14.0 Favored Pre-proline 0 CA--C 1.545 0.755 0 C-N-CA 125.982 1.713 . . . . 0.0 110.323 -170.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -69.4 147.37 65.06 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 123.152 2.568 . . . . 0.0 112.369 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.87 3.39 90.51 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 125.515 1.531 . . . . 0.0 114.853 -177.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 35.3 mt -108.04 162.77 13.73 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 118.902 1.351 . . . . 0.0 113.413 178.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.44 161.05 38.86 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 127.875 2.47 . . . . 0.0 109.929 166.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 39.2 mt -72.28 122.25 24.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 O-C-N 120.976 -1.077 . . . . 0.0 109.425 175.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.1 -47.7 3.52 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 124.562 1.077 . . . . 0.0 113.302 -178.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.0 ptt85 -155.92 163.3 39.93 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.558 1.143 . . . . 0.0 112.531 173.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.2 t -126.66 128.38 71.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 123.965 0.906 . . . . 0.0 109.211 166.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -114.22 88.44 2.86 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.655 1.582 . . . . 0.0 110.445 -176.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -69.5 -10.71 59.25 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.394 1.478 . . . . 0.0 112.558 -173.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 62.2 mtt85 -61.02 -27.47 68.35 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.592 1.157 . . . . 0.0 112.222 169.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.7 m -135.16 0.66 2.87 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.585 1.554 . . . . 0.0 113.646 -176.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.96 32.65 73.59 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 124.717 1.151 . . . . 0.0 114.37 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.8 t -102.46 122.9 55.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 118.334 1.067 . . . . 0.0 111.788 -175.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.5 mt -97.67 112.54 29.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 125.751 1.62 . . . . 0.0 108.6 169.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.7 t -100.74 124.53 46.5 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 124.339 1.056 . . . . 0.0 111.859 -177.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.8 mt -98.72 149.8 22.46 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.81 1.244 . . . . 0.0 111.997 178.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -134.87 161.0 40.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 126.943 2.097 . . . . 0.0 110.528 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -70.83 133.01 46.14 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.205 -0.934 . . . . 0.0 112.101 176.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -74.16 -15.32 61.03 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.831 0.852 . . . . 0.0 113.179 -178.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -85.21 3.07 41.04 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.567 1.321 . . . . 0.0 114.567 165.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.0 m120 48.65 39.75 14.17 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 128.532 2.733 . . . . 0.0 113.668 176.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 75.9 mtt85 . . . . . 0 C--O 1.25 1.08 0 C-N-CA 125.039 1.336 . . . . 0.0 113.133 -178.225 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.665 0 N-CA-C 111.822 -0.511 . . . . 0.0 111.822 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -62.18 158.14 41.22 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 124.124 3.216 . . . . 0.0 114.107 -179.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -71.19 166.36 52.63 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 124.367 0.984 . . . . 0.0 114.125 174.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 11.9 t -155.18 160.77 41.15 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.452 1.101 . . . . 0.0 112.799 -177.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.0 ptp -70.7 166.43 20.84 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.546 1.139 . . . . 0.0 113.04 174.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 28.3 p -145.36 165.81 27.4 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.323 1.449 . . . . 0.0 111.843 178.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 5.5 mpp? -67.66 144.88 55.3 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.489 0.716 . . . . 0.0 112.057 175.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.44 -177.21 6.08 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.839 1.255 . . . . 0.0 111.982 171.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -128.6 144.29 51.12 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.541 1.536 . . . . 0.0 111.105 164.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 25.5 t -100.35 142.45 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.736 1.214 . . . . 0.0 110.363 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 10.5 p -133.79 143.53 38.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 C-N-CA 125.903 1.681 . . . . 0.0 110.797 170.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp -138.02 151.19 47.64 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.621 1.568 . . . . 0.0 110.942 176.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 15.5 m -111.16 128.65 55.97 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.073 0.949 . . . . 0.0 110.795 176.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 36.5 mtmt -79.84 164.83 23.3 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 126.292 1.837 . . . . 0.0 112.726 179.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.12 -25.73 68.22 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.431 1.093 . . . . 0.0 113.815 174.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 44.3 p30 -79.94 -0.47 35.25 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.72 1.208 . . . . 0.0 113.78 175.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.13 -5.46 84.12 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 126.005 1.764 . . . . 0.0 115.642 -179.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.54 170.78 55.11 Favored Glycine 0 CA--C 1.538 1.505 0 CA-C-N 118.976 1.388 . . . . 0.0 113.308 171.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -128.59 154.26 46.38 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.913 1.285 . . . . 0.0 113.11 -179.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 46.1 t -133.92 143.49 38.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 126.276 1.831 . . . . 0.0 109.466 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 17.5 mp0 -130.27 150.86 51.32 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.018 0.927 . . . . 0.0 112.838 -175.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -133.01 107.31 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 125.56 1.544 . . . . 0.0 108.612 173.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.74 156.87 39.06 Favored Glycine 0 CA--C 1.531 1.036 0 C-N-CA 124.113 0.863 . . . . 0.0 114.03 -179.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 52.9 46.19 27.26 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 126.226 1.811 . . . . 0.0 113.586 174.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 11.1 p -67.93 130.39 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 124.145 0.978 . . . . 0.0 111.325 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 86.6 mt -86.88 -33.3 19.81 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.395 1.478 . . . . 0.0 111.866 172.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 70.8 tt0 -155.37 143.16 19.82 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.198 0.999 . . . . 0.0 112.157 178.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 7.6 p -130.83 138.43 53.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.655 1.582 . . . . 0.0 109.412 171.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 42.9 mtt85 -135.8 128.76 31.35 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.98 1.312 . . . . 0.0 110.578 -170.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -105.76 107.82 19.01 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.083 1.353 . . . . 0.0 109.328 172.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -158.32 146.98 18.89 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.16 0.984 . . . . 0.0 111.724 -172.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 64.52 23.92 69.01 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 124.443 1.02 . . . . 0.0 115.406 174.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.9 19.85 76.96 Favored Glycine 0 CA--C 1.535 1.307 0 CA-C-N 118.364 1.082 . . . . 0.0 114.239 -173.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.71 167.26 22.56 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.987 1.715 . . . . 0.0 112.541 -177.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 81.3 t -114.46 137.47 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 123.43 0.692 . . . . 0.0 111.555 164.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -114.61 151.88 32.77 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.564 1.546 . . . . 0.0 111.243 169.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 28.4 m -136.3 149.42 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 125.598 1.559 . . . . 0.0 111.102 176.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 28.0 m -132.38 135.29 46.04 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 126.033 1.733 . . . . 0.0 110.812 -178.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 23.1 p -120.08 166.38 13.47 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.989 0.916 . . . . 0.0 113.303 -177.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -65.2 -9.01 19.93 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 174.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -84.48 11.2 9.06 Favored 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 124.942 1.297 . . . . 0.0 113.159 172.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 61.07 11.4 3.39 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 127.165 2.186 . . . . 0.0 114.812 -170.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -85.83 148.98 25.56 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.088 1.355 . . . . 0.0 112.03 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -128.53 151.51 49.36 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.266 1.026 . . . . 0.0 112.376 166.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -131.03 157.49 42.88 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.222 1.409 . . . . 0.0 110.633 172.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -136.49 141.69 43.5 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.717 1.207 . . . . 0.0 111.938 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -139.27 90.01 11.96 Favored Pre-proline 0 CA--C 1.544 0.736 0 C-N-CA 125.675 1.59 . . . . 0.0 110.654 -172.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -66.19 146.83 82.66 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 122.945 2.43 . . . . 0.0 112.221 177.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.29 2.33 90.57 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 125.182 1.372 . . . . 0.0 115.428 -177.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 28.8 mt -99.26 163.65 12.46 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.128 1.464 . . . . 0.0 113.635 175.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -144.8 160.08 41.83 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 127.408 2.283 . . . . 0.0 110.587 164.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 29.1 mt -73.42 122.1 25.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 O-C-N 121.239 -0.913 . . . . 0.0 109.249 174.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.3 -36.05 3.97 Favored Glycine 0 CA--C 1.532 1.104 0 C-N-CA 124.4 1.0 . . . . 0.0 114.368 -177.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -153.7 145.05 23.06 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.669 1.588 . . . . 0.0 110.847 -173.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 39.9 t -136.96 105.68 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 125.987 1.715 . . . . 0.0 107.927 174.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -113.37 101.02 8.99 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.322 1.049 . . . . 0.0 110.421 -173.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -75.07 -16.48 60.57 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.196 1.398 . . . . 0.0 112.781 -173.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 25.3 mtt85 -64.81 -40.51 95.34 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 118.931 0.787 . . . . 0.0 111.319 172.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 55.2 m -93.34 -20.15 20.65 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.263 1.425 . . . . 0.0 113.614 175.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.86 31.59 62.06 Favored Glycine 0 CA--C 1.533 1.21 0 C-N-CA 124.391 0.996 . . . . 0.0 113.255 -171.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 94.6 t -114.65 130.99 68.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.561 1.144 . . . . 0.0 112.194 -171.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 14.3 mt -103.93 120.49 54.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 126.414 1.885 . . . . 0.0 108.482 169.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 15.8 m -104.44 121.1 42.72 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.256 1.022 . . . . 0.0 111.149 175.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 25.8 mt -91.05 149.37 21.85 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.29 1.036 . . . . 0.0 111.053 171.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -133.81 157.86 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 126.1 1.76 . . . . 0.0 110.621 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -70.32 130.56 42.3 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.729 -0.607 . . . . 0.0 110.653 173.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -69.23 -33.19 72.91 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -166.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -150.5 150.03 30.74 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.001 1.72 . . . . 0.0 111.842 168.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 -138.69 30.0 2.33 Favored 'General case' 0 CA--C 1.558 1.276 0 C-N-CA 126.788 2.035 . . . . 0.0 110.983 165.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 . . . . . 0 C--O 1.253 1.25 0 C-N-CA 125.378 1.471 . . . . 0.0 113.175 -175.561 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.618 0 CA-C-O 119.736 -0.48 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -60.43 152.93 64.06 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 124.355 3.37 . . . . 0.0 114.354 -179.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -82.1 -11.26 82.69 Favored Glycine 0 CA--C 1.54 1.637 0 C-N-CA 124.321 0.962 . . . . 0.0 115.377 177.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 20.2 m 56.19 25.93 9.73 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 126.002 1.721 . . . . 0.0 114.844 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.6 mtp -69.98 137.12 51.17 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.936 1.294 . . . . 0.0 112.357 179.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 29.9 p -154.47 155.58 35.16 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.203 1.401 . . . . 0.0 112.063 173.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -77.62 -50.3 12.79 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.618 1.167 . . . . 0.0 110.804 174.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -155.27 169.76 23.45 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.39 1.876 . . . . 0.0 110.749 167.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -140.41 129.26 23.22 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.739 1.616 . . . . 0.0 111.412 177.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 20.2 t -99.71 144.54 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 125.338 1.455 . . . . 0.0 110.664 -178.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.8 p -137.2 139.69 43.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 125.263 1.425 . . . . 0.0 111.14 174.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 pp -153.55 162.45 41.25 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.625 1.57 . . . . 0.0 112.125 -177.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.2 m -122.59 126.35 47.53 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.729 1.212 . . . . 0.0 109.821 168.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -71.87 163.42 27.86 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.268 1.427 . . . . 0.0 112.166 179.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.66 -23.8 67.52 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 175.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 43.4 p30 -78.84 0.8 25.69 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 124.903 1.281 . . . . 0.0 113.992 172.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.89 -3.65 85.87 Favored Glycine 0 CA--C 1.542 1.753 0 C-N-CA 126.137 1.827 . . . . 0.0 115.019 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.55 124.76 7.7 Favored Glycine 0 CA--C 1.533 1.179 0 CA-C-N 119.282 1.541 . . . . 0.0 113.135 -179.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.7 mmm-85 -72.98 141.73 47.76 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.923 1.289 . . . . 0.0 111.443 169.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.7 t -141.37 138.81 32.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 125.629 1.572 . . . . 0.0 110.626 -176.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.3 mp0 -128.98 147.34 50.85 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.313 1.445 . . . . 0.0 111.115 174.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 54.0 mt -133.04 118.57 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 125.407 1.483 . . . . 0.0 108.725 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.87 168.12 31.27 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 124.554 1.073 . . . . 0.0 114.228 175.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 54.6 41.62 31.82 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.764 1.626 . . . . 0.0 114.112 174.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 74.8 t -72.83 130.78 35.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 125.511 1.524 . . . . 0.0 112.172 -176.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 97.5 mt -98.21 -35.51 10.34 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.214 1.406 . . . . 0.0 113.276 174.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.2 tt0 -156.92 143.81 18.55 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.125 0.97 . . . . 0.0 111.661 -171.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.3 t -137.45 137.81 45.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 126.17 1.788 . . . . 0.0 109.276 174.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -133.84 146.15 50.36 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.797 1.639 . . . . 0.0 111.712 -179.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -121.8 138.65 54.29 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.33 1.452 . . . . 0.0 110.321 173.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -149.81 120.05 7.3 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.589 0.755 . . . . 0.0 111.049 -177.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.67 -82.35 0.08 OUTLIER Glycine 0 CA--C 1.535 1.325 0 C-N-CA 125.284 1.421 . . . . 0.0 113.439 -178.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -149.42 30.36 1.17 Allowed Glycine 0 CA--C 1.535 1.291 0 C-N-CA 126.535 2.017 . . . . 0.0 113.278 177.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.21 155.09 48.05 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.71 1.604 . . . . 0.0 111.804 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.7 t -121.05 140.01 46.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 C-N-CA 124.812 1.245 . . . . 0.0 111.558 175.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -120.76 147.48 45.26 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.977 2.111 . . . . 0.0 109.339 174.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -149.9 143.49 17.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 123.674 0.79 . . . . 0.0 112.598 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 61.3 m -127.46 145.48 50.82 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 126.326 1.85 . . . . 0.0 111.697 -175.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 43.6 p -125.49 166.35 16.8 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.887 1.275 . . . . 0.0 113.707 -169.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.5 tt -52.53 -30.28 29.62 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.663 1.985 . . . . 0.0 113.955 173.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -74.51 2.2 10.17 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.251 1.42 . . . . 0.0 113.803 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.1 t0 60.79 18.71 8.9 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.4 1.88 . . . . 0.0 113.095 -167.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -88.67 144.16 26.46 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.901 1.281 . . . . 0.0 110.896 174.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -136.25 137.36 40.69 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.103 1.361 . . . . 0.0 111.509 -175.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 61.0 m-70 -129.17 152.11 49.11 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.945 1.698 . . . . 0.0 111.332 -169.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -137.34 141.1 41.82 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.74 1.216 . . . . 0.0 111.951 176.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -140.14 91.99 9.79 Favored Pre-proline 0 CA--C 1.543 0.676 0 C-N-CA 125.496 1.518 . . . . 0.0 110.32 -173.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -68.99 148.94 71.16 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 123.04 2.493 . . . . 0.0 111.901 175.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.06 -2.95 85.79 Favored Glycine 0 CA--C 1.535 1.331 0 C-N-CA 125.43 1.49 . . . . 0.0 114.894 -175.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 40.3 mt -104.67 162.32 13.39 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 118.843 1.321 . . . . 0.0 113.7 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.03 158.07 45.07 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 127.488 2.315 . . . . 0.0 109.915 164.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 48.7 mt -71.95 114.97 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 174.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.54 -50.87 2.64 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 124.333 0.968 . . . . 0.0 113.827 -172.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 65.6 ttt180 -151.3 145.91 25.66 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.801 1.24 . . . . 0.0 112.004 -173.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.8 t -138.47 115.84 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 125.722 1.609 . . . . 0.0 109.33 -178.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -106.43 101.51 10.97 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.31 1.044 . . . . 0.0 110.483 178.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -67.56 -16.4 64.17 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.022 -1.049 . . . . 0.0 112.305 176.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 44.8 mtm105 -63.82 -20.01 65.46 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.731 2.012 . . . . 0.0 114.061 170.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.0 t -141.97 -13.13 0.84 Allowed 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 114.7 1.371 . . . . 0.0 114.7 -175.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.67 15.7 81.36 Favored Glycine 0 CA--C 1.536 1.344 0 O-C-N 120.643 -1.285 . . . . 0.0 113.58 -174.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.1 t -82.5 132.49 31.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 CA-C-N 118.653 1.226 . . . . 0.0 111.083 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 94.7 mt -120.52 109.17 24.78 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 C-N-CA 125.93 1.692 . . . . 0.0 108.444 174.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.1 m -96.28 120.75 37.14 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 124.589 1.155 . . . . 0.0 110.674 178.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.3 mt -91.11 151.08 21.14 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.575 0.75 . . . . 0.0 111.087 170.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -133.16 153.83 38.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 125.22 1.408 . . . . 0.0 111.156 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.1 mp0 -65.27 125.11 24.02 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.92 0.888 . . . . 0.0 109.77 173.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -65.51 -30.31 71.06 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 114.452 1.279 . . . . 0.0 114.452 -158.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -137.83 148.58 45.58 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 126.076 1.75 . . . . 0.0 110.602 170.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -127.52 25.67 6.05 Favored 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 124.776 1.23 . . . . 0.0 112.92 -170.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 90.3 mtt-85 . . . . . 0 C--O 1.253 1.266 0 C-N-CA 126.401 1.88 . . . . 0.0 113.222 -174.088 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.548 0 CA-C-O 119.955 -0.359 . . . . 0.0 112.253 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -62.34 147.96 94.07 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 123.717 2.945 . . . . 0.0 114.304 -178.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . 166.41 152.09 7.11 Favored Glycine 0 CA--C 1.533 1.187 0 C-N-CA 125.435 1.493 . . . . 0.0 112.587 177.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 31.5 t -71.33 -42.85 68.03 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.278 0.631 . . . . 0.0 112.207 178.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 74.0 mmm 54.6 -160.9 0.15 Allowed 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 127.063 2.145 . . . . 0.0 113.951 175.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 4.8 t 61.4 -175.68 0.12 Allowed 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 126.514 1.925 . . . . 0.0 114.048 -179.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 44.8 mtm 62.08 157.46 0.05 Allowed 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 128.176 2.59 . . . . 0.0 115.699 -175.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -97.02 179.73 4.83 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.75 1.62 . . . . 0.0 112.028 175.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -118.0 150.92 38.47 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.822 1.249 . . . . 0.0 112.031 161.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 74.4 t -100.6 144.88 12.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 124.902 1.281 . . . . 0.0 110.082 171.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 14.4 p -132.36 143.23 40.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 125.307 1.443 . . . . 0.0 111.634 168.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 pp -148.79 160.93 42.74 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.45 1.5 . . . . 0.0 112.588 -179.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 19.5 m -117.51 130.24 56.31 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.212 1.405 . . . . 0.0 110.521 175.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -78.41 164.14 25.04 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 126.076 1.75 . . . . 0.0 112.331 178.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.18 -25.06 67.56 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 175.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -79.03 -2.22 39.27 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.843 1.257 . . . . 0.0 113.729 173.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.32 -4.52 85.48 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 125.587 1.565 . . . . 0.0 115.6 -179.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.65 153.7 44.49 Favored Glycine 0 CA--C 1.535 1.296 0 CA-C-N 118.938 1.369 . . . . 0.0 112.151 172.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 92.3 mtm-85 -111.36 152.46 27.26 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.55 1.14 . . . . 0.0 113.037 -179.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 85.7 t -135.72 141.0 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 126.065 1.746 . . . . 0.0 109.867 -177.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -125.07 145.97 49.67 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.364 1.466 . . . . 0.0 111.709 176.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 50.5 mt -130.32 110.69 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 125.209 1.404 . . . . 0.0 108.444 177.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.16 154.89 33.92 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 123.978 0.799 . . . . 0.0 114.059 -179.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 52.28 54.46 10.69 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.7 2.0 . . . . 0.0 113.671 171.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 28.4 m -79.14 135.84 24.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 C-N-CA 124.257 1.023 . . . . 0.0 112.199 178.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 91.3 mt -82.02 -35.0 29.31 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.998 1.319 . . . . 0.0 112.082 170.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -158.97 142.11 14.62 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 118.465 0.575 . . . . 0.0 112.264 -169.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 3.5 t -140.38 135.43 35.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 125.209 1.403 . . . . 0.0 109.011 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.44 142.56 16.96 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 -178.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -96.14 122.66 39.22 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.735 1.614 . . . . 0.0 110.07 173.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -154.36 134.38 13.1 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.241 1.416 . . . . 0.0 111.296 -174.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 64.91 24.69 70.22 Favored Glycine 0 CA--C 1.537 1.445 0 N-CA-C 115.409 0.924 . . . . 0.0 115.409 174.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.71 21.13 72.6 Favored Glycine 0 CA--C 1.538 1.498 0 CA-C-N 118.261 1.031 . . . . 0.0 114.51 -174.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.36 165.73 26.63 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.463 1.905 . . . . 0.0 110.825 178.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 68.1 t -109.12 139.61 31.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 C-N-CA 123.542 0.737 . . . . 0.0 111.412 166.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 65.1 mtp180 -113.16 148.67 34.92 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.852 1.661 . . . . 0.0 111.454 168.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 3.0 t -135.69 140.36 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 126.36 1.864 . . . . 0.0 109.66 -177.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 39.6 m -122.49 132.97 54.59 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.918 1.287 . . . . 0.0 110.231 174.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 33.5 p -103.34 165.44 11.03 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.248 1.419 . . . . 0.0 112.58 178.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -58.93 -18.02 29.74 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 176.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -79.31 -1.53 37.22 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.188 1.395 . . . . 0.0 113.423 174.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 26.0 t0 60.9 17.21 7.6 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.953 1.701 . . . . 0.0 113.915 -165.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -80.58 136.33 36.23 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.716 1.206 . . . . 0.0 110.257 166.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -112.34 154.01 26.36 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.865 0.866 . . . . 0.0 113.102 174.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -130.77 150.92 51.72 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.243 1.817 . . . . 0.0 110.075 176.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.24 139.79 28.87 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.542 0.737 . . . . 0.0 112.435 -175.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -141.11 96.51 7.2 Favored Pre-proline 0 CA--C 1.543 0.702 0 C-N-CA 124.859 1.263 . . . . 0.0 111.981 -168.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -60.56 144.2 99.51 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 123.749 2.966 . . . . 0.0 113.51 174.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.34 1.75 90.48 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 125.076 1.322 . . . . 0.0 115.151 177.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 44.2 mt -100.01 161.47 13.59 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 118.789 1.294 . . . . 0.0 113.591 176.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -144.15 160.19 41.36 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 127.857 2.463 . . . . 0.0 109.578 164.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 49.4 mt -70.92 123.67 25.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 O-C-N 120.852 -1.155 . . . . 0.0 109.534 176.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.6 -34.56 4.95 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 125.032 1.301 . . . . 0.0 114.194 -178.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 74.3 ttt-85 -152.81 148.07 26.77 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 118.52 1.16 . . . . 0.0 112.551 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 45.4 t -133.71 128.84 54.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 126.746 2.018 . . . . 0.0 108.56 172.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -135.78 105.24 6.05 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 125.045 1.338 . . . . 0.0 111.25 -172.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -81.5 -16.03 53.1 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.455 1.102 . . . . 0.0 113.533 -178.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -73.87 -24.66 59.77 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.347 1.059 . . . . 0.0 112.384 177.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 49.5 m -121.61 -10.52 8.79 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.445 1.498 . . . . 0.0 114.798 176.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.32 43.09 32.76 Favored Glycine 0 CA--C 1.536 1.376 0 C-N-CA 124.448 1.023 . . . . 0.0 113.342 -179.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 86.5 t -125.56 137.28 58.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.866 1.266 . . . . 0.0 111.314 -171.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 81.5 mt -119.34 136.87 55.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 126.714 2.006 . . . . 0.0 108.436 169.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 29.9 t -128.37 133.73 48.69 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.186 0.994 . . . . 0.0 111.574 -177.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 24.6 mt -102.1 150.99 22.69 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.761 1.224 . . . . 0.0 112.257 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -132.43 158.13 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 126.519 1.927 . . . . 0.0 110.242 178.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -72.32 130.8 41.62 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.504 -0.747 . . . . 0.0 110.914 175.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -78.91 -3.6 45.6 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 -170.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -85.52 6.72 25.82 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.901 1.68 . . . . 0.0 115.49 177.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -89.56 16.23 8.1 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 126.76 2.024 . . . . 0.0 114.884 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 77.2 mtt-85 . . . . . 0 C--O 1.255 1.391 0 C-N-CA 125.968 1.707 . . . . 0.0 112.814 -178.63 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.614 0 N-CA-C 111.704 -0.559 . . . . 0.0 111.704 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.18 159.45 53.11 Favored 'Trans proline' 0 CA--C 1.537 0.666 0 C-N-CA 123.347 2.698 . . . . 0.0 112.5 178.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -75.49 66.98 2.27 Favored Glycine 0 N--CA 1.473 1.147 0 C-N-CA 124.95 1.262 . . . . 0.0 113.433 177.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 28.6 m 61.29 -10.94 0.06 Allowed 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 127.914 2.486 . . . . 0.0 117.308 -177.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.7 ptm -74.93 169.3 18.23 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.455 1.502 . . . . 0.0 111.878 171.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 29.4 p -142.44 152.16 42.49 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.089 0.956 . . . . 0.0 112.282 178.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -95.76 159.87 14.77 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.243 1.417 . . . . 0.0 113.348 -173.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.34 -174.65 1.08 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.505 1.522 . . . . 0.0 113.007 174.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -134.4 143.22 47.48 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.671 1.588 . . . . 0.0 111.872 167.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.8 t -99.66 142.6 14.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 125.89 1.676 . . . . 0.0 110.134 173.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.5 p -139.01 140.28 38.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.939 1.295 . . . . 0.0 111.578 173.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 pp -143.11 161.52 37.97 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.186 1.395 . . . . 0.0 112.481 -178.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.0 m -118.71 125.75 50.37 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.036 1.335 . . . . 0.0 109.407 167.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -74.24 166.11 24.02 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.915 1.286 . . . . 0.0 112.241 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.91 -24.89 67.24 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.957 0.903 . . . . 0.0 113.117 174.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -77.42 -4.96 48.03 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.318 1.447 . . . . 0.0 114.103 172.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.28 -4.31 85.8 Favored Glycine 0 CA--C 1.541 1.702 0 C-N-CA 125.966 1.746 . . . . 0.0 115.545 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -79.78 144.96 26.97 Favored Glycine 0 CA--C 1.534 1.27 0 CA-C-N 118.456 1.128 . . . . 0.0 112.066 173.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 53.8 mtm180 -100.02 154.74 18.16 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 118.406 1.103 . . . . 0.0 113.478 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 56.0 t -135.24 142.03 41.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 125.728 1.611 . . . . 0.0 109.823 176.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -128.61 137.54 51.74 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.469 1.508 . . . . 0.0 111.514 178.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 51.4 mt -132.57 102.56 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 125.946 1.699 . . . . 0.0 108.287 -178.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.91 177.15 54.44 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 123.786 0.707 . . . . 0.0 112.384 168.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 59.07 29.0 18.45 Favored 'General case' 0 CA--C 1.553 1.069 0 N-CA-C 114.325 1.232 . . . . 0.0 114.325 172.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.3 p -79.37 133.88 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 125.686 1.595 . . . . 0.0 112.782 -177.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 79.6 mt -97.96 -32.37 11.7 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.429 1.492 . . . . 0.0 113.065 173.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -155.83 146.77 22.27 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 119.161 0.892 . . . . 0.0 112.654 -175.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.5 t -136.98 139.64 44.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 126.101 1.76 . . . . 0.0 109.659 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -140.16 135.47 32.49 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.328 1.051 . . . . 0.0 112.6 179.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -96.79 114.07 25.68 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.937 1.295 . . . . 0.0 109.142 162.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -157.02 134.29 10.5 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.888 0.875 . . . . 0.0 112.096 -169.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.32 25.89 68.9 Favored Glycine 0 CA--C 1.54 1.642 0 O-C-N 120.905 -1.122 . . . . 0.0 115.246 172.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.81 16.56 70.0 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 124.778 1.18 . . . . 0.0 115.197 -177.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.61 155.88 45.02 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.96 1.304 . . . . 0.0 111.465 178.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.4 t -98.81 139.06 21.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 O-C-N 122.141 -0.35 . . . . 0.0 110.66 164.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 67.5 mtt85 -123.25 150.78 43.04 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.91 1.684 . . . . 0.0 111.242 176.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.9 t -138.51 135.35 43.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 125.149 1.379 . . . . 0.0 110.012 -172.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 91.4 m -123.53 125.75 45.45 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.552 1.141 . . . . 0.0 111.162 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 43.0 p -98.53 165.79 11.66 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.483 1.113 . . . . 0.0 113.051 -178.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 pp -65.82 -14.22 61.0 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 114.274 1.212 . . . . 0.0 114.274 173.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -78.73 0.73 25.61 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.381 1.072 . . . . 0.0 113.021 173.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 62.07 11.18 4.13 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 127.057 2.143 . . . . 0.0 114.132 -167.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -79.87 141.48 36.1 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.518 1.127 . . . . 0.0 110.918 170.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -122.46 148.94 44.54 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.432 1.493 . . . . 0.0 112.246 -177.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 67.9 m-70 -130.11 152.73 49.24 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 126.049 1.739 . . . . 0.0 110.958 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -148.62 138.47 22.2 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.27 1.028 . . . . 0.0 112.292 -176.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -143.26 97.23 5.68 Favored Pre-proline 0 CA--C 1.546 0.82 0 C-N-CA 125.22 1.408 . . . . 0.0 111.443 -170.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -61.43 148.32 93.27 Favored 'Trans proline' 0 CA--C 1.534 0.518 0 C-N-CA 123.773 2.982 . . . . 0.0 114.201 175.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.66 3.7 90.25 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 124.968 1.27 . . . . 0.0 115.121 176.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 48.6 mt -100.97 162.97 12.52 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 118.716 1.258 . . . . 0.0 113.186 177.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.75 159.64 41.62 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 127.798 2.439 . . . . 0.0 109.835 162.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 82.6 mt -73.08 125.07 31.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 O-C-N 120.914 -1.116 . . . . 0.0 109.146 176.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.59 -36.72 4.21 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 125.176 1.369 . . . . 0.0 114.869 -173.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 29.9 mtm180 -147.78 158.41 44.01 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 118.758 1.279 . . . . 0.0 113.098 177.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.5 t -131.58 120.57 45.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 125.377 1.471 . . . . 0.0 108.162 159.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -123.09 84.91 2.34 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 122.471 1.129 . . . . 0.0 111.052 -165.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.407 ' H ' HD22 ' A' ' 53' ' ' LEU . 2.0 mm? -70.54 -13.62 62.18 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.744 1.617 . . . . 0.0 112.848 -171.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.6 mtp-105 -62.24 -25.17 67.67 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.109 1.764 . . . . 0.0 112.825 170.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 89.4 p -138.14 -8.85 1.54 Allowed 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -176.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.81 32.31 53.96 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 124.2 0.905 . . . . 0.0 113.543 -177.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.7 t -107.44 139.27 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.672 1.189 . . . . 0.0 111.337 -178.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 94.1 mt -118.65 113.62 42.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 126.354 1.861 . . . . 0.0 107.834 174.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.4 m -96.74 135.82 38.15 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.505 0.722 . . . . 0.0 110.56 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.2 mp -108.47 149.49 28.73 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.86 1.664 . . . . 0.0 110.545 174.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -136.54 161.81 36.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 126.743 2.017 . . . . 0.0 111.175 -176.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -70.26 132.99 46.57 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.23 -0.918 . . . . 0.0 111.274 174.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.28 -4.45 33.25 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 -174.129 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -132.61 149.1 52.36 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.957 1.703 . . . . 0.0 111.922 174.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -126.76 45.11 2.75 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.758 1.623 . . . . 0.0 111.024 -176.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 . . . . . 0 C--O 1.251 1.154 0 C-N-CA 126.577 1.951 . . . . 0.0 113.183 -176.776 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.504 0 N-CA-C 112.113 -0.395 . . . . 0.0 112.113 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -68.18 157.66 60.84 Favored 'Trans proline' 0 CA--C 1.543 0.964 0 C-N-CA 123.883 3.055 . . . . 0.0 112.847 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -78.01 159.53 47.46 Favored Glycine 0 CA--C 1.539 1.566 0 C-N-CA 124.811 1.196 . . . . 0.0 113.45 173.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 28.4 t -76.13 154.05 35.76 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.977 0.911 . . . . 0.0 112.825 178.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.8 ppp? -127.54 10.73 6.72 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 126.512 1.925 . . . . 0.0 112.856 171.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 62.4 m -68.43 167.52 14.56 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.172 1.389 . . . . 0.0 113.453 -177.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -60.67 151.05 30.18 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.675 1.19 . . . . 0.0 112.388 176.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.83 175.21 5.21 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.258 1.423 . . . . 0.0 114.244 -175.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -130.48 127.37 39.06 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.497 1.919 . . . . 0.0 111.314 175.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 27.3 t -99.39 145.62 10.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 125.508 1.523 . . . . 0.0 110.373 -176.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.8 p -140.21 143.51 29.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.232 1.013 . . . . 0.0 112.208 175.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 pp -150.91 157.53 43.02 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.761 1.625 . . . . 0.0 112.668 -178.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 18.2 m -112.4 132.66 54.91 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.658 1.183 . . . . 0.0 110.873 177.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 35.3 mtmt -80.07 163.03 24.48 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 126.389 1.876 . . . . 0.0 112.748 177.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.5 -25.45 68.0 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 174.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 41.3 p30 -80.03 -1.34 39.36 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.389 1.076 . . . . 0.0 113.824 175.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.21 -7.42 82.11 Favored Glycine 0 CA--C 1.541 1.7 0 C-N-CA 125.927 1.727 . . . . 0.0 115.572 179.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.65 171.67 54.21 Favored Glycine 0 CA--C 1.534 1.248 0 CA-C-N 118.677 1.239 . . . . 0.0 113.076 171.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -128.94 153.98 47.0 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.814 1.245 . . . . 0.0 113.015 -178.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 97.5 t -131.6 141.57 45.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 126.384 1.874 . . . . 0.0 109.41 -178.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -131.05 142.66 50.32 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.305 1.442 . . . . 0.0 111.537 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 25.6 mt -134.9 106.58 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.856 1.262 . . . . 0.0 109.558 -178.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.17 175.81 51.49 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 123.688 0.661 . . . . 0.0 113.483 173.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 58.28 32.67 22.34 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.229 1.412 . . . . 0.0 114.708 168.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 35.4 m -76.98 135.81 25.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 O-C-N 121.004 -1.06 . . . . 0.0 113.268 -176.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 74.6 mt -82.16 -37.22 26.49 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.231 1.013 . . . . 0.0 111.805 169.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -159.48 148.51 18.07 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.575 0.75 . . . . 0.0 111.752 -176.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 40.0 t -130.48 138.1 54.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 127.293 2.237 . . . . 0.0 108.698 172.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -136.81 133.23 35.7 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.547 1.539 . . . . 0.0 111.491 -178.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.85 148.5 25.35 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.018 0.927 . . . . 0.0 110.801 162.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -142.9 -173.13 3.81 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.653 1.581 . . . . 0.0 111.067 174.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.74 83.08 0.05 OUTLIER Glycine 0 CA--C 1.531 1.087 0 C-N-CA 125.726 1.631 . . . . 0.0 113.658 -178.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.54 21.24 44.84 Favored Glycine 0 CA--C 1.532 1.123 0 C-N-CA 125.802 1.668 . . . . 0.0 115.445 178.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -158.63 165.55 34.18 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.808 1.804 . . . . 0.0 113.637 176.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 75.6 t -117.92 144.84 24.86 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 124.861 1.264 . . . . 0.0 110.948 164.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -130.21 147.63 51.96 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 127.35 2.26 . . . . 0.0 110.444 178.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -154.05 145.79 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 123.733 0.813 . . . . 0.0 112.274 -173.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 33.3 m -132.15 134.88 45.93 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.754 1.222 . . . . 0.0 112.51 -175.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 29.8 p -91.5 164.19 13.89 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 125.279 1.432 . . . . 0.0 113.851 179.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -67.27 -15.51 63.73 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 173.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -94.85 20.74 8.39 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.362 1.465 . . . . 0.0 112.522 170.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 62.38 18.62 10.45 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 127.877 2.471 . . . . 0.0 115.472 173.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -81.76 126.49 31.88 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.024 -1.048 . . . . 0.0 110.683 173.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -98.84 142.28 30.57 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.734 1.214 . . . . 0.0 111.398 176.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -134.87 151.38 50.85 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.033 1.333 . . . . 0.0 110.9 177.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -147.43 141.72 26.26 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.389 1.075 . . . . 0.0 112.336 -178.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -142.23 95.9 6.6 Favored Pre-proline 0 CA--C 1.548 0.872 0 C-N-CA 125.302 1.441 . . . . 0.0 111.137 -170.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -64.29 149.04 90.95 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 123.271 2.648 . . . . 0.0 113.069 174.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.6 0.36 89.89 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 125.915 1.721 . . . . 0.0 115.023 178.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 37.0 mt -101.49 164.49 11.74 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.188 1.395 . . . . 0.0 114.112 179.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.76 160.56 40.52 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 128.625 2.77 . . . . 0.0 110.135 164.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 46.1 mt -73.62 120.19 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 O-C-N 121.043 -1.036 . . . . 0.0 109.355 175.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.73 -43.61 2.86 Favored Glycine 0 N--CA 1.475 1.253 0 C-N-CA 124.759 1.171 . . . . 0.0 114.464 -173.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 74.9 ttt-85 -149.42 143.15 25.53 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.704 1.202 . . . . 0.0 111.178 -177.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 41.2 t -131.59 126.15 57.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.368 1.467 . . . . 0.0 108.912 177.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -125.94 106.22 9.48 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.54 1.536 . . . . 0.0 110.29 -167.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -81.74 -11.19 59.13 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.999 0.92 . . . . 0.0 112.743 -178.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 44.1 mtm105 -80.65 -43.43 20.45 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.041 1.336 . . . . 0.0 111.008 176.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 10.8 t -99.72 -18.96 17.0 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.276 1.43 . . . . 0.0 114.136 179.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.08 17.1 72.95 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 124.833 1.206 . . . . 0.0 114.268 -175.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 74.7 t -87.6 140.42 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 125.066 1.346 . . . . 0.0 112.396 -175.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 88.2 mt -120.65 105.84 17.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 126.626 1.97 . . . . 0.0 108.026 168.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 15.5 m -93.02 119.65 32.5 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.262 1.025 . . . . 0.0 110.37 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 31.2 mt -91.57 147.28 23.13 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 123.901 0.88 . . . . 0.0 111.011 171.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -135.44 161.35 39.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 126.12 1.768 . . . . 0.0 110.228 -179.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -70.64 138.23 50.56 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.339 -0.85 . . . . 0.0 111.79 175.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -92.06 -13.21 31.24 Favored 'General case' 0 N--CA 1.482 1.139 0 O-C-N 121.584 -0.697 . . . . 0.0 112.342 162.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -75.1 178.65 5.53 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.907 1.683 . . . . 0.0 112.947 171.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 58.8 28.27 17.17 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 126.426 1.89 . . . . 0.0 115.686 169.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 88.9 mmt-85 . . . . . 0 C--O 1.253 1.24 0 C-N-CA 125.142 1.377 . . . . 0.0 112.227 169.591 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.42 0 CA-C-O 119.39 -0.672 . . . . 0.0 111.844 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -70.62 160.86 48.07 Favored 'Trans proline' 0 CA--C 1.546 1.101 0 C-N-CA 123.842 3.028 . . . . 0.0 113.025 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 80.39 163.92 29.62 Favored Glycine 0 CA--C 1.539 1.581 0 C-N-CA 124.753 1.168 . . . . 0.0 114.642 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 19.6 m 61.39 -19.77 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 128.255 2.622 . . . . 0.0 117.406 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.4 ptp -152.47 159.04 43.39 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.947 2.099 . . . . 0.0 111.301 178.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 28.5 p -158.31 164.21 36.62 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.593 1.557 . . . . 0.0 112.012 176.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 5.3 mpp? -69.2 148.92 49.18 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.328 0.651 . . . . 0.0 111.528 168.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.435 ' H ' ' HG ' ' B' ' 53' ' ' LEU . . . -74.81 172.61 11.88 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.088 0.955 . . . . 0.0 112.618 177.214 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -131.25 135.06 47.02 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 125.588 1.555 . . . . 0.0 110.809 168.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 85.5 t -99.91 144.12 12.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 125.413 1.485 . . . . 0.0 110.117 -174.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -138.21 141.46 37.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 125.144 1.378 . . . . 0.0 111.654 173.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 pp -149.77 164.13 36.11 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.178 1.791 . . . . 0.0 111.111 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.8 m -127.89 129.63 47.19 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.123 0.969 . . . . 0.0 111.242 178.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -75.63 165.18 25.46 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.491 1.516 . . . . 0.0 112.228 -179.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.95 -25.25 67.49 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 174.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -76.43 -2.53 32.46 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 125.406 1.483 . . . . 0.0 114.104 172.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.93 -4.09 83.8 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 125.295 1.426 . . . . 0.0 115.497 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -82.8 139.0 18.95 Favored Glycine 0 CA--C 1.529 0.926 0 CA-C-N 118.843 1.322 . . . . 0.0 112.776 174.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 64.1 mtm-85 -83.15 161.17 21.68 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 177.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 67.3 t -133.75 141.41 44.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 126.245 1.818 . . . . 0.0 108.826 166.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.2 mp0 -131.37 146.46 52.29 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.394 1.478 . . . . 0.0 111.655 177.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 25.6 mt -133.63 118.43 30.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.998 1.319 . . . . 0.0 108.872 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.43 155.71 27.35 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 123.706 0.669 . . . . 0.0 114.264 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 53.19 47.77 23.67 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.446 1.899 . . . . 0.0 114.623 168.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 m -75.34 138.15 21.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 O-C-N 121.484 -0.76 . . . . 0.0 111.938 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 80.2 mt -85.07 -33.59 22.41 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.465 1.106 . . . . 0.0 112.009 171.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 69.9 tt0 -154.44 145.93 23.12 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 118.72 0.691 . . . . 0.0 112.036 -172.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.5 t -136.48 136.52 48.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 126.166 1.786 . . . . 0.0 109.425 174.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -131.15 130.31 42.9 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.945 1.698 . . . . 0.0 111.278 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.32 108.73 20.08 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.024 0.929 . . . . 0.0 109.099 162.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -157.63 135.74 10.93 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.122 0.969 . . . . 0.0 111.812 -163.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.34 26.16 71.58 Favored Glycine 0 CA--C 1.535 1.334 0 N-CA-C 115.663 1.025 . . . . 0.0 115.663 172.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.44 22.87 74.8 Favored Glycine 0 CA--C 1.536 1.403 0 CA-C-N 118.289 1.045 . . . . 0.0 114.135 -172.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.33 169.86 16.86 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.962 2.105 . . . . 0.0 111.552 -177.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 90.4 t -109.23 137.92 39.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 123.035 0.534 . . . . 0.0 110.377 159.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 74.8 mtt85 -123.96 149.56 45.81 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.959 1.704 . . . . 0.0 111.068 174.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 37.3 t -138.36 145.51 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 125.633 1.573 . . . . 0.0 111.384 -172.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 68.7 m -124.8 132.86 53.3 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 125.049 1.339 . . . . 0.0 110.741 171.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 38.5 p -98.35 167.91 10.55 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.337 1.455 . . . . 0.0 112.99 178.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -63.2 -15.39 56.83 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 174.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -82.47 -0.61 47.17 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.835 1.254 . . . . 0.0 113.628 174.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 61.74 13.13 5.13 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 126.273 1.829 . . . . 0.0 113.781 -164.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -76.8 147.39 37.24 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.142 0.977 . . . . 0.0 110.311 168.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -129.38 151.49 49.96 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.02 1.328 . . . . 0.0 112.71 -173.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 -134.4 154.16 51.52 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.866 1.667 . . . . 0.0 111.202 -178.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -148.91 139.24 22.41 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.421 1.088 . . . . 0.0 112.179 -178.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -142.49 95.02 6.62 Favored Pre-proline 0 CA--C 1.544 0.742 0 C-N-CA 125.369 1.467 . . . . 0.0 111.488 -172.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -61.94 146.82 96.17 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 123.703 2.935 . . . . 0.0 113.494 175.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.12 1.32 89.92 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 124.978 1.275 . . . . 0.0 114.867 177.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.2 mt -98.25 160.95 13.96 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 118.43 1.115 . . . . 0.0 112.887 176.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.18 159.95 41.22 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 127.55 2.34 . . . . 0.0 110.802 164.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 32.2 mt -74.07 120.45 23.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 177.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -100.74 -38.55 3.39 Favored Glycine 0 N--CA 1.475 1.244 0 C-N-CA 124.417 1.008 . . . . 0.0 114.389 -175.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 70.1 ttt-85 -153.43 146.85 24.89 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.254 1.422 . . . . 0.0 111.056 -176.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.3 t -130.63 119.91 46.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 125.201 1.401 . . . . 0.0 109.166 171.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -116.47 96.34 5.47 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.414 1.485 . . . . 0.0 110.07 -175.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -75.88 -4.22 39.64 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.036 0.934 . . . . 0.0 113.294 -170.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 72.0 mtt85 -61.91 -28.37 69.48 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.221 1.008 . . . . 0.0 112.724 171.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.0 t -138.56 10.09 2.69 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.594 1.558 . . . . 0.0 113.041 175.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.29 31.2 79.76 Favored Glycine 0 CA--C 1.537 1.462 0 O-C-N 120.336 -1.477 . . . . 0.0 113.876 -179.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.1 t -84.93 124.68 40.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-N 118.917 1.359 . . . . 0.0 111.338 -177.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 91.2 mt -104.43 110.09 29.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 126.163 1.785 . . . . 0.0 108.362 172.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 51.0 m -97.17 121.93 39.62 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.083 0.953 . . . . 0.0 111.298 178.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.3 mt -95.96 150.65 20.22 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.461 1.104 . . . . 0.0 112.005 174.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -135.98 160.66 38.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 126.627 1.971 . . . . 0.0 110.46 -178.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -69.42 131.84 45.41 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.315 -0.865 . . . . 0.0 110.643 172.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -69.14 -19.28 64.02 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 -170.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -142.1 145.77 34.65 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.854 1.662 . . . . 0.0 111.117 177.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.4 m120 -94.57 42.32 1.09 Allowed 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 125.222 1.409 . . . . 0.0 113.102 -176.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 . . . . . 0 C--O 1.252 1.232 0 C-N-CA 125.49 1.516 . . . . 0.0 112.869 -177.811 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.36 0 CA-C-O 118.651 -1.083 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -68.19 178.78 20.5 Favored 'Cis proline' 0 CA--C 1.539 0.748 0 CA-C-N 119.607 1.704 . . . . 0.0 113.263 -0.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -159.74 175.67 36.56 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 124.724 1.154 . . . . 0.0 113.499 179.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 15.0 m -65.55 159.95 23.47 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.217 1.407 . . . . 0.0 113.974 -176.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 39.0 mtt -70.75 -173.37 0.76 Allowed 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.486 1.114 . . . . 0.0 112.051 164.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 56.2 m 64.63 19.38 11.8 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 115.899 1.814 . . . . 0.0 115.899 169.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 41.2 mtm -62.9 152.5 36.24 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.617 1.167 . . . . 0.0 113.885 179.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -90.37 177.52 6.37 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.075 1.35 . . . . 0.0 112.328 176.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -126.31 135.5 51.59 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.219 1.408 . . . . 0.0 110.808 160.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 42.2 t -99.66 142.47 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.349 1.06 . . . . 0.0 110.123 -178.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 14.7 p -137.1 143.65 34.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 125.467 1.507 . . . . 0.0 111.523 174.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 pp -152.65 157.06 40.4 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.475 1.51 . . . . 0.0 112.634 -178.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 18.8 m -111.52 130.76 55.63 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.116 1.366 . . . . 0.0 109.789 169.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -82.52 162.14 22.11 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.734 1.613 . . . . 0.0 112.753 179.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.67 -24.39 66.71 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 175.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -75.16 -4.6 39.72 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 125.318 1.447 . . . . 0.0 113.951 173.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.34 -5.22 81.56 Favored Glycine 0 CA--C 1.542 1.729 0 C-N-CA 125.307 1.432 . . . . 0.0 115.152 -176.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.43 167.36 54.81 Favored Glycine 0 CA--C 1.533 1.167 0 CA-C-N 118.273 1.036 . . . . 0.0 112.6 171.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -127.7 152.48 47.66 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.543 1.137 . . . . 0.0 113.162 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 64.6 t -135.22 139.61 46.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.699 1.6 . . . . 0.0 109.812 -177.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -128.52 147.18 50.68 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.572 1.549 . . . . 0.0 111.037 176.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 34.7 mt -135.33 120.83 29.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 125.21 1.404 . . . . 0.0 108.993 -177.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -94.06 160.91 24.23 Favored Glycine 0 CA--C 1.542 1.777 0 C-N-CA 124.87 1.224 . . . . 0.0 113.669 177.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 50.83 45.98 26.66 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.723 1.609 . . . . 0.0 112.797 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 74.9 t -74.14 118.5 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 124.301 1.04 . . . . 0.0 110.067 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 21.8 tp -97.23 -23.65 16.07 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.095 1.358 . . . . 0.0 112.354 -176.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -156.77 147.7 21.87 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.291 0.95 . . . . 0.0 112.58 175.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 25.8 t -135.48 142.1 40.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 126.109 1.764 . . . . 0.0 110.244 174.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -137.13 145.5 43.91 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 125.273 1.429 . . . . 0.0 111.33 176.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -131.06 125.09 32.29 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.981 1.312 . . . . 0.0 111.011 177.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -158.9 141.35 14.09 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.632 1.173 . . . . 0.0 111.269 -177.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.15 22.23 57.78 Favored Glycine 0 CA--C 1.539 1.546 0 N-CA-C 115.982 1.153 . . . . 0.0 115.982 170.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.62 22.67 66.44 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 124.116 0.865 . . . . 0.0 114.773 -174.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.52 135.87 37.15 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 118.603 1.201 . . . . 0.0 112.214 175.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 94.2 t -102.55 137.98 28.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 123.854 0.861 . . . . 0.0 111.045 177.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -118.62 147.36 43.83 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.448 1.899 . . . . 0.0 110.312 175.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 22.1 t -136.55 140.81 42.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.662 1.585 . . . . 0.0 110.371 -178.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 46.3 m -123.75 127.55 48.29 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.935 1.294 . . . . 0.0 110.511 172.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 49.3 p -87.92 167.01 14.11 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.551 1.14 . . . . 0.0 112.847 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 60.5 tp -47.44 -35.14 8.09 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.613 1.965 . . . . 0.0 113.488 165.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -82.75 5.21 22.15 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.087 1.755 . . . . 0.0 113.589 -176.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 60.9 12.42 3.84 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.636 1.975 . . . . 0.0 114.333 -171.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -74.24 133.83 42.67 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 120.708 -1.245 . . . . 0.0 110.208 168.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -109.72 146.92 34.09 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.855 1.262 . . . . 0.0 112.37 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -134.76 152.03 51.43 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.827 1.651 . . . . 0.0 111.19 177.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.77 141.29 29.09 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.552 1.141 . . . . 0.0 111.79 -179.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -139.89 88.02 12.3 Favored Pre-proline 0 CA--C 1.543 0.688 0 C-N-CA 125.36 1.464 . . . . 0.0 110.776 -170.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -68.27 145.88 67.53 Favored 'Trans proline' 0 CA--C 1.537 0.668 0 C-N-CA 122.953 2.435 . . . . 0.0 111.785 174.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.53 4.4 73.44 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 125.569 1.557 . . . . 0.0 114.666 -175.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 50.7 mt -114.51 163.38 15.45 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.154 1.381 . . . . 0.0 113.362 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.37 160.34 40.34 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 127.293 2.237 . . . . 0.0 109.875 164.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 33.9 mt -71.09 120.04 18.41 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 O-C-N 121.186 -0.946 . . . . 0.0 108.775 173.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -94.74 -45.42 3.16 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 123.966 0.793 . . . . 0.0 113.366 -178.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 41.6 ttp85 -150.03 147.15 27.48 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.58 1.152 . . . . 0.0 111.72 -173.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 24.4 t -129.32 130.77 67.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 125.393 1.477 . . . . 0.0 108.503 171.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -133.34 100.98 5.0 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.027 1.331 . . . . 0.0 110.375 -173.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.435 ' HG ' ' H ' ' A' ' 4' ' ' ALA . 2.4 mm? -81.72 -8.97 59.75 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.423 1.489 . . . . 0.0 113.233 -168.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 25.6 mtm180 -68.89 -23.46 64.2 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.039 1.336 . . . . 0.0 112.036 171.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 44.9 m -128.61 -0.4 5.51 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.24 1.816 . . . . 0.0 113.83 179.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.86 24.73 73.01 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 124.697 1.141 . . . . 0.0 114.516 -176.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.7 t -91.59 135.17 27.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-N 118.865 1.333 . . . . 0.0 111.596 -173.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 89.5 mt -113.4 121.73 66.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 125.935 1.694 . . . . 0.0 107.31 165.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 34.4 t -114.24 123.28 49.17 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 124.663 1.185 . . . . 0.0 111.25 -177.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 23.3 mt -94.11 148.77 21.86 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.547 1.139 . . . . 0.0 112.215 178.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -130.22 158.72 42.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 125.958 1.703 . . . . 0.0 110.783 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -69.9 129.48 39.63 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.593 -0.692 . . . . 0.0 111.587 177.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -74.63 -19.02 60.46 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.093 1.145 . . . . 0.0 114.093 -174.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 40.3 mm-40 -142.04 154.65 45.13 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.756 1.622 . . . . 0.0 111.833 172.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -118.5 15.87 13.77 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.842 1.657 . . . . 0.0 113.065 176.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 85.1 mtp180 . . . . . 0 C--O 1.253 1.283 0 C-N-CA 125.9 1.68 . . . . 0.0 112.781 -178.813 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.319 0 CA-C-O 119.499 -0.612 . . . . 0.0 112.419 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -68.85 153.75 72.27 Favored 'Trans proline' 0 CA--C 1.545 1.059 0 C-N-CA 123.983 3.122 . . . . 0.0 112.93 176.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -81.81 -144.7 4.7 Favored Glycine 0 CA--C 1.538 1.513 0 C-N-CA 125.292 1.425 . . . . 0.0 113.694 175.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 23.2 t -63.16 158.05 20.87 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.587 1.155 . . . . 0.0 112.444 175.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.4 mtm 57.72 -128.97 1.59 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.297 1.439 . . . . 0.0 112.043 -170.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 67.6 m 60.27 -172.77 0.12 Allowed 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.278 1.831 . . . . 0.0 113.778 -172.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 4.7 mpp? 64.2 153.49 0.05 Allowed 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 127.926 2.49 . . . . 0.0 114.77 -168.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -84.0 179.01 7.63 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.891 1.676 . . . . 0.0 112.094 176.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -130.23 142.99 50.52 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.512 1.525 . . . . 0.0 111.547 166.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 32.6 t -99.96 141.67 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.532 1.133 . . . . 0.0 109.8 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.3 p -140.73 142.78 29.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 123.841 0.856 . . . . 0.0 112.518 178.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 pp -151.88 159.39 43.86 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.079 1.351 . . . . 0.0 113.017 -172.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.9 m -114.76 131.65 56.71 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.753 1.221 . . . . 0.0 110.171 171.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -84.25 161.87 20.35 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.563 1.545 . . . . 0.0 112.27 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.29 -22.56 66.95 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 172.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -72.91 -7.7 52.21 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.231 1.412 . . . . 0.0 113.925 172.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.27 -5.78 81.97 Favored Glycine 0 CA--C 1.541 1.667 0 C-N-CA 125.649 1.595 . . . . 0.0 114.969 -175.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.52 171.04 55.16 Favored Glycine 0 CA--C 1.538 1.503 0 CA-C-N 118.272 1.036 . . . . 0.0 113.065 170.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 83.2 mtt180 -126.84 154.74 43.96 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.015 1.326 . . . . 0.0 112.761 178.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.4 t -133.66 138.91 49.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 125.763 1.625 . . . . 0.0 109.169 178.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -140.79 128.39 21.47 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.212 1.405 . . . . 0.0 110.37 -174.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 83.1 mt -131.8 110.01 16.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 124.743 1.217 . . . . 0.0 110.102 -166.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.22 159.48 41.26 Favored Glycine 0 CA--C 1.534 1.242 0 C-N-CA 124.37 0.986 . . . . 0.0 115.0 -176.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 55.29 44.42 27.47 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.269 1.828 . . . . 0.0 114.167 169.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -71.54 133.16 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 124.146 0.978 . . . . 0.0 110.825 -178.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.1 mt -85.15 -41.42 15.69 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.975 0.91 . . . . 0.0 111.289 174.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -153.42 143.53 22.2 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.497 1.119 . . . . 0.0 111.067 178.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.6 p -134.44 137.75 50.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 126.383 1.873 . . . . 0.0 109.907 175.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 32.6 mtp-105 -135.22 137.67 42.85 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.476 1.51 . . . . 0.0 111.452 -173.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.02 117.74 30.11 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.054 1.342 . . . . 0.0 108.285 166.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -158.55 126.65 5.22 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.949 0.9 . . . . 0.0 112.059 -161.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 62.72 27.5 70.05 Favored Glycine 0 CA--C 1.535 1.316 0 N-CA-C 115.194 0.838 . . . . 0.0 115.194 174.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.79 17.15 79.13 Favored Glycine 0 CA--C 1.54 1.597 0 CA-C-N 118.192 0.996 . . . . 0.0 114.35 -173.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.38 166.77 21.74 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.015 1.726 . . . . 0.0 111.508 178.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.1 t -105.55 139.46 26.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 O-C-N 121.602 -0.686 . . . . 0.0 110.476 160.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -127.0 141.2 51.85 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 126.822 2.049 . . . . 0.0 109.966 -177.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.4 m -133.67 152.28 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 C-N-CA 124.834 1.254 . . . . 0.0 112.613 -174.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 47.9 m -134.23 134.84 42.47 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.974 1.709 . . . . 0.0 110.675 173.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.2 p -117.73 165.51 13.54 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 124.483 1.113 . . . . 0.0 112.886 -178.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -66.13 -9.45 31.59 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 114.914 1.449 . . . . 0.0 114.914 176.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -81.34 4.86 19.18 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.916 1.286 . . . . 0.0 113.084 171.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 61.87 16.01 7.63 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 127.266 2.226 . . . . 0.0 114.345 -170.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -78.39 150.52 33.13 Favored 'General case' 0 C--O 1.237 0.406 0 O-C-N 121.212 -0.93 . . . . 0.0 112.669 171.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -134.69 140.6 46.11 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.515 1.526 . . . . 0.0 110.6 172.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -143.16 155.64 44.6 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.543 1.537 . . . . 0.0 111.613 -178.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -139.84 145.97 38.77 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.129 1.372 . . . . 0.0 112.726 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -137.09 94.36 12.6 Favored Pre-proline 0 CA--C 1.545 0.759 0 C-N-CA 126.071 1.748 . . . . 0.0 110.096 -174.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.07 149.82 65.43 Favored 'Trans proline' 0 CA--C 1.534 0.48 0 C-N-CA 123.101 2.534 . . . . 0.0 113.512 -178.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.67 7.09 82.24 Favored Glycine 0 CA--C 1.531 1.061 0 C-N-CA 125.528 1.537 . . . . 0.0 114.905 -177.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 75.7 mt -113.44 161.08 17.76 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.971 1.309 . . . . 0.0 113.8 -177.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.1 160.86 39.37 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 127.793 2.437 . . . . 0.0 109.509 166.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 42.3 mt -73.82 121.51 24.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 O-C-N 120.977 -1.077 . . . . 0.0 109.183 178.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -95.63 -49.9 2.07 Favored Glycine 0 CA--C 1.528 0.886 0 C-N-CA 124.628 1.108 . . . . 0.0 114.054 -173.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 30.8 mtm105 -148.9 162.97 38.79 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.665 1.186 . . . . 0.0 111.892 178.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.4 t -130.59 125.27 58.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 123.654 0.782 . . . . 0.0 110.531 163.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -94.09 90.94 6.6 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.937 1.695 . . . . 0.0 110.005 170.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -68.67 -10.61 57.29 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 120.882 -1.136 . . . . 0.0 112.226 174.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -60.43 -29.0 68.72 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.522 1.929 . . . . 0.0 113.138 167.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 90.5 p -139.88 -7.67 1.24 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.11 1.364 . . . . 0.0 114.164 -171.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.98 16.52 78.78 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 124.997 1.284 . . . . 0.0 114.854 -177.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 97.9 t -88.92 121.88 39.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 CA-C-N 119.561 1.68 . . . . 0.0 111.81 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 93.6 mt -97.26 114.17 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 126.008 1.723 . . . . 0.0 107.768 168.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.9 t -100.71 122.58 43.59 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.551 1.14 . . . . 0.0 111.28 -176.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.0 mt -93.32 151.89 19.5 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.428 1.091 . . . . 0.0 112.759 175.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -136.91 162.11 34.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 126.489 1.916 . . . . 0.0 110.923 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 54.8 mp0 -68.75 133.17 47.99 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.462 -0.774 . . . . 0.0 111.656 178.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -71.9 -16.95 62.14 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 114.659 1.355 . . . . 0.0 114.659 -173.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -140.94 149.11 41.42 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.21 1.804 . . . . 0.0 110.928 169.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -124.71 -2.07 7.89 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.091 1.356 . . . . 0.0 114.296 -178.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 . . . . . 0 C--O 1.257 1.466 0 C-N-CA 126.065 1.746 . . . . 0.0 113.204 176.315 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.573 0 CA-C-O 119.549 -0.584 . . . . 0.0 112.29 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -69.81 164.83 33.12 Favored 'Trans proline' 0 CA--C 1.544 1.002 0 C-N-CA 123.772 2.982 . . . . 0.0 112.936 177.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -79.42 -175.21 47.13 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 124.605 1.097 . . . . 0.0 114.338 178.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 43.8 t -152.39 137.89 17.7 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.246 1.418 . . . . 0.0 110.872 173.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 87.6 mtp -74.98 130.93 40.21 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.623 0.769 . . . . 0.0 112.628 -178.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 35.3 t -155.07 130.24 9.57 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.564 1.546 . . . . 0.0 109.692 167.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 4.2 mpp? 52.71 -177.27 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 124.888 1.275 . . . . 0.0 113.388 -160.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.03 -176.8 4.62 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.942 1.697 . . . . 0.0 110.832 175.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -125.56 142.43 51.51 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.66 0.784 . . . . 0.0 112.869 166.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 25.4 t -100.45 142.76 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.846 1.658 . . . . 0.0 110.129 176.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 14.6 p -134.05 138.62 49.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 125.069 1.348 . . . . 0.0 111.76 175.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 pp -150.17 159.37 44.47 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.241 1.416 . . . . 0.0 112.682 -174.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 13.4 m -109.22 132.18 54.37 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.165 1.386 . . . . 0.0 110.835 175.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -80.97 163.16 23.51 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.583 1.553 . . . . 0.0 112.983 178.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.88 -21.94 65.13 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 123.768 0.827 . . . . 0.0 112.827 166.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -69.27 -11.49 60.85 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.658 1.583 . . . . 0.0 113.434 171.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.6 -10.64 49.93 Favored Glycine 0 CA--C 1.54 1.655 0 C-N-CA 125.573 1.558 . . . . 0.0 115.008 -172.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.44 170.64 54.91 Favored Glycine 0 CA--C 1.532 1.14 0 CA-C-N 118.325 1.063 . . . . 0.0 112.805 170.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -122.56 153.25 39.49 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.95 1.3 . . . . 0.0 113.258 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 88.2 t -130.93 136.63 57.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 126.342 1.857 . . . . 0.0 110.009 -177.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -116.8 142.69 46.59 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.173 1.389 . . . . 0.0 110.73 170.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 69.7 mt -128.42 109.39 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 125.622 1.569 . . . . 0.0 108.201 -176.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.2 165.17 41.01 Favored Glycine 0 CA--C 1.538 1.518 0 C-N-CA 124.34 0.972 . . . . 0.0 114.345 -178.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 53.4 39.38 29.82 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.252 1.821 . . . . 0.0 114.092 174.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 61.7 t -70.97 126.1 30.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 125.227 1.411 . . . . 0.0 110.35 178.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 5.0 tt -105.65 -23.9 12.66 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.321 1.848 . . . . 0.0 112.719 -176.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -153.99 149.05 26.82 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.07 1.348 . . . . 0.0 110.79 167.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 11.5 p -140.67 145.91 24.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.807 1.243 . . . . 0.0 110.657 173.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 35.0 mtt85 -143.71 123.38 13.32 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.378 1.471 . . . . 0.0 111.993 -169.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.18 101.07 12.18 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.138 0.975 . . . . 0.0 108.527 162.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -156.39 135.26 11.83 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.562 1.145 . . . . 0.0 111.922 -164.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.79 30.63 74.63 Favored Glycine 0 CA--C 1.534 1.239 0 N-CA-C 115.278 0.871 . . . . 0.0 115.278 173.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.74 19.44 79.02 Favored Glycine 0 CA--C 1.539 1.565 0 CA-C-N 118.059 0.93 . . . . 0.0 114.41 -177.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -148.05 170.0 18.72 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.496 1.919 . . . . 0.0 111.007 -175.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 64.9 t -97.94 133.15 41.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 O-C-N 121.864 -0.522 . . . . 0.0 110.016 154.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.75 145.8 39.9 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.991 1.716 . . . . 0.0 109.307 168.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 13.5 p -145.2 142.91 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.134 0.973 . . . . 0.0 111.473 -172.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 37.3 m -124.68 138.14 54.31 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.859 2.064 . . . . 0.0 110.763 -172.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 40.4 p -108.85 164.17 12.63 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.531 1.132 . . . . 0.0 111.614 172.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -64.88 -11.41 37.46 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 175.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -77.24 1.11 19.52 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.637 1.175 . . . . 0.0 113.152 172.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.2 t0 60.83 18.52 8.76 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 127.03 2.132 . . . . 0.0 113.846 -168.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 60.1 tt0 -86.6 141.8 28.73 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.251 1.42 . . . . 0.0 110.655 170.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -127.37 152.13 47.89 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.772 1.229 . . . . 0.0 112.857 177.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 67.6 m-70 -132.6 158.38 42.37 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.825 1.65 . . . . 0.0 111.113 178.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -140.73 141.13 34.93 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.471 1.109 . . . . 0.0 112.318 -176.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -140.34 93.05 9.09 Favored Pre-proline 0 CA--C 1.543 0.699 0 C-N-CA 125.635 1.574 . . . . 0.0 111.233 -174.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -59.84 146.64 95.17 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 124.044 3.163 . . . . 0.0 114.271 178.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.58 6.39 88.2 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.551 1.072 . . . . 0.0 115.211 178.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 48.7 mt -102.83 162.32 13.02 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 118.764 1.282 . . . . 0.0 113.252 174.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.56 162.47 35.8 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 127.758 2.423 . . . . 0.0 110.022 164.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 33.1 mt -73.84 120.0 22.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 O-C-N 120.868 -1.145 . . . . 0.0 108.897 175.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.32 -34.0 5.75 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 124.092 0.853 . . . . 0.0 114.63 -177.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 27.5 ttp85 -157.73 147.06 19.83 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.989 1.316 . . . . 0.0 111.584 -173.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 7.7 t -126.59 131.59 71.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 124.354 1.061 . . . . 0.0 109.207 164.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -129.48 95.53 4.03 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 126.462 1.905 . . . . 0.0 110.081 -171.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -80.73 -15.48 56.37 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.818 1.247 . . . . 0.0 112.786 -166.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -67.4 -18.44 65.12 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.054 0.941 . . . . 0.0 112.614 170.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 49.5 m -127.89 -5.48 5.66 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.373 1.469 . . . . 0.0 114.609 176.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.83 31.81 73.26 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 124.522 1.058 . . . . 0.0 114.614 -175.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 94.1 t -103.39 137.25 32.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.562 1.145 . . . . 0.0 112.053 -173.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 13.1 mt -115.15 109.83 29.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 C-N-CA 126.302 1.841 . . . . 0.0 107.671 171.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 18.0 m -94.81 121.33 36.28 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.563 -0.711 . . . . 0.0 110.766 178.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 28.1 mt -88.1 152.8 21.75 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.768 0.827 . . . . 0.0 111.919 173.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -132.57 158.09 43.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 126.673 1.989 . . . . 0.0 111.037 178.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -70.26 127.13 31.73 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.204 1.002 . . . . 0.0 110.524 173.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -74.9 -24.18 58.49 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 114.317 1.228 . . . . 0.0 114.317 -169.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -143.87 123.23 13.07 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 126.094 1.758 . . . . 0.0 110.801 170.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -92.77 0.26 57.39 Favored 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 -175.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 . . . . . 0 C--O 1.255 1.378 0 C-N-CA 126.207 1.803 . . . . 0.0 114.785 -177.841 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.81 0 CA-C-O 118.998 -0.89 . . . . 0.0 111.252 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -69.15 162.45 41.72 Favored 'Trans proline' 0 CA--C 1.544 0.981 0 C-N-CA 123.814 3.009 . . . . 0.0 112.493 179.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -173.18 -179.89 44.16 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 125.256 1.408 . . . . 0.0 113.061 -179.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 29.0 m -60.85 127.98 34.24 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.725 1.21 . . . . 0.0 112.442 -179.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mmm -86.7 152.53 22.46 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.727 1.211 . . . . 0.0 113.091 -178.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.9 t 59.78 -173.83 0.11 Allowed 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 126.379 1.872 . . . . 0.0 114.331 174.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 40.1 mtm 61.8 179.98 0.12 Allowed 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.745 2.418 . . . . 0.0 115.143 178.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -136.2 172.24 13.3 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.972 2.109 . . . . 0.0 110.437 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -105.46 143.8 33.12 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.802 0.841 . . . . 0.0 111.776 163.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.6 t -99.27 137.59 26.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 125.015 1.326 . . . . 0.0 109.045 171.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.9 p -132.63 141.67 44.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 125.078 1.351 . . . . 0.0 112.201 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 pp -147.79 157.19 43.42 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.387 1.475 . . . . 0.0 112.365 -176.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.0 m -111.68 132.08 54.85 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.725 1.21 . . . . 0.0 111.244 177.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -82.99 161.12 21.85 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.726 1.61 . . . . 0.0 112.23 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.57 -20.95 66.07 Favored 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 170.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -72.46 -7.79 51.72 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.842 1.657 . . . . 0.0 113.848 171.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.34 -8.28 72.03 Favored Glycine 0 CA--C 1.538 1.506 0 C-N-CA 125.638 1.59 . . . . 0.0 114.871 -176.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.52 170.44 54.81 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 124.906 1.241 . . . . 0.0 113.267 171.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -125.6 152.8 44.65 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.919 1.288 . . . . 0.0 112.927 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.1 t -131.87 141.1 46.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 126.502 1.921 . . . . 0.0 109.921 -178.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -127.66 143.05 51.19 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.161 1.384 . . . . 0.0 111.628 179.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -129.09 102.67 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 126.095 1.758 . . . . 0.0 108.082 177.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.0 160.21 44.38 Favored Glycine 0 CA--C 1.533 1.219 0 C-N-CA 124.229 0.919 . . . . 0.0 114.25 179.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 52.56 47.52 24.52 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.524 1.53 . . . . 0.0 113.519 174.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.8 m -70.8 131.31 34.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 O-C-N 120.928 -1.107 . . . . 0.0 110.671 172.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.7 mt -77.18 -32.13 55.9 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.257 1.023 . . . . 0.0 111.278 167.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -157.71 149.71 22.2 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.181 1.393 . . . . 0.0 112.072 -178.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.1 p -138.55 138.58 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 126.514 1.926 . . . . 0.0 110.529 170.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.31 138.6 40.17 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.844 1.258 . . . . 0.0 111.476 -177.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -102.93 118.91 37.86 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.261 1.424 . . . . 0.0 110.457 167.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -158.3 151.74 23.23 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.82 1.248 . . . . 0.0 112.093 -178.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.31 22.25 58.23 Favored Glycine 0 CA--C 1.54 1.62 0 C-N-CA 124.411 1.005 . . . . 0.0 115.523 175.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.73 24.98 68.45 Favored Glycine 0 CA--C 1.538 1.503 0 CA-C-N 118.459 1.129 . . . . 0.0 114.059 -172.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.56 167.09 23.04 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.527 1.931 . . . . 0.0 111.471 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 79.3 t -114.22 143.85 23.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 124.137 0.975 . . . . 0.0 111.285 167.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -130.19 143.99 51.1 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.344 1.458 . . . . 0.0 110.806 175.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.7 m -135.13 150.67 29.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 125.343 1.457 . . . . 0.0 111.236 -176.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 23.9 m -134.49 130.81 37.24 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.172 0.989 . . . . 0.0 110.121 173.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 21.0 p -97.09 168.77 10.25 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.553 1.141 . . . . 0.0 113.961 -172.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.9 tp -49.64 -30.89 9.7 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.064 2.146 . . . . 0.0 114.079 172.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -91.09 10.72 25.68 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.787 1.635 . . . . 0.0 113.666 -178.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 62.41 15.52 7.81 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.936 2.095 . . . . 0.0 114.772 -174.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -77.66 154.88 31.76 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.841 -1.162 . . . . 0.0 110.814 168.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -139.37 141.28 37.6 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.3 1.04 . . . . 0.0 111.334 -172.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 58.6 m-70 -137.04 156.37 48.51 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.058 1.343 . . . . 0.0 111.315 178.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.16 142.71 34.02 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.767 1.227 . . . . 0.0 111.533 -179.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -139.1 91.69 11.23 Favored Pre-proline 0 CA--C 1.544 0.747 0 C-N-CA 125.454 1.502 . . . . 0.0 111.084 -168.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -61.14 145.99 98.12 Favored 'Trans proline' 0 CA--C 1.535 0.526 0 C-N-CA 123.614 2.876 . . . . 0.0 113.525 175.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.01 2.28 88.4 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 125.03 1.3 . . . . 0.0 114.689 177.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 61.2 mt -107.75 161.48 14.85 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 118.705 1.252 . . . . 0.0 113.523 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.28 160.88 39.38 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 127.851 2.461 . . . . 0.0 109.723 165.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 30.6 mt -72.31 122.07 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 O-C-N 120.924 -1.11 . . . . 0.0 108.957 176.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.69 -37.1 3.55 Favored Glycine 0 N--CA 1.47 0.961 0 C-N-CA 124.078 0.847 . . . . 0.0 114.854 -175.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -152.81 144.6 23.58 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.261 1.024 . . . . 0.0 111.733 -172.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.5 t -136.22 119.21 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 125.649 1.58 . . . . 0.0 108.824 176.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -120.88 108.46 13.94 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.524 1.129 . . . . 0.0 110.773 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -82.3 -14.44 55.39 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.176 1.39 . . . . 0.0 112.953 -173.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 29.8 mtm180 -73.05 -41.87 63.7 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.57 1.148 . . . . 0.0 110.643 173.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.7 t -90.59 -30.39 17.24 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.492 1.517 . . . . 0.0 113.898 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.36 42.39 9.34 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.526 1.06 . . . . 0.0 112.794 -174.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 81.3 t -130.16 139.66 50.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 124.456 1.103 . . . . 0.0 111.431 -171.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 81.3 mt -123.2 117.47 51.67 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 C-N-CA 126.79 2.036 . . . . 0.0 108.51 177.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.8 m -102.83 129.06 49.39 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.936 0.895 . . . . 0.0 110.989 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.3 mt -90.76 151.53 21.17 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.646 1.178 . . . . 0.0 111.584 172.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -134.03 161.56 40.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 126.014 1.726 . . . . 0.0 110.777 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -64.42 126.0 26.41 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.72 0.808 . . . . 0.0 111.532 174.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -68.11 -11.78 59.7 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 121.275 -0.891 . . . . 0.0 112.959 177.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -110.09 8.59 23.98 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 126.89 2.076 . . . . 0.0 113.802 175.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 31.7 m120 52.29 31.55 9.53 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 128.211 2.605 . . . . 0.0 114.626 178.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 74.3 mtm180 . . . . . 0 C--O 1.254 1.308 0 C-N-CA 126.186 1.794 . . . . 0.0 113.307 -179.493 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.659 0 N-CA-C 112.009 -0.436 . . . . 0.0 112.009 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -59.55 146.79 94.15 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 123.906 3.07 . . . . 0.0 113.585 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -72.01 152.16 48.28 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 123.516 0.579 . . . . 0.0 113.698 176.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 38.4 m 53.74 50.3 17.33 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.931 1.692 . . . . 0.0 113.281 177.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.9 pmm? -71.75 2.37 5.46 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 116.078 1.881 . . . . 0.0 116.078 -172.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 85.7 m -126.28 139.69 53.11 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.986 1.714 . . . . 0.0 112.068 -176.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -78.2 160.39 28.0 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.2 1.4 . . . . 0.0 112.844 176.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.21 -178.36 3.88 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.038 1.335 . . . . 0.0 112.942 172.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -132.78 150.57 52.14 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.097 1.759 . . . . 0.0 111.251 166.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 9.5 t -107.02 144.26 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 C-N-CA 125.047 1.339 . . . . 0.0 110.761 176.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.9 p -139.53 144.37 28.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 125.096 1.358 . . . . 0.0 112.217 173.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 pp -153.74 164.25 38.63 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.235 1.814 . . . . 0.0 112.164 178.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 20.9 m -116.81 128.92 55.75 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.516 1.126 . . . . 0.0 110.471 170.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -74.45 165.21 25.58 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.553 1.141 . . . . 0.0 112.999 178.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.58 -20.94 63.85 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 123.838 0.855 . . . . 0.0 112.939 165.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -69.13 -10.85 59.66 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.686 1.594 . . . . 0.0 113.439 170.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.35 -9.88 52.4 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 125.673 1.606 . . . . 0.0 114.725 -172.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.76 142.82 23.87 Favored Glycine 0 CA--C 1.532 1.126 0 CA-C-N 118.653 1.227 . . . . 0.0 112.283 175.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 96.2 mtm-85 -86.91 151.98 22.83 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.36 1.064 . . . . 0.0 112.374 176.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 85.8 t -132.33 139.15 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 125.947 1.699 . . . . 0.0 109.429 177.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -134.06 142.93 47.75 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.266 1.426 . . . . 0.0 111.363 -178.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 37.5 mt -130.78 114.16 26.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 125.316 1.446 . . . . 0.0 109.154 178.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -86.39 158.44 31.26 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 123.772 0.701 . . . . 0.0 114.061 177.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 54.23 44.51 28.98 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 126.412 1.885 . . . . 0.0 114.446 171.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 11.8 p -75.09 138.47 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.393 1.077 . . . . 0.0 112.533 -177.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 76.4 mt -91.4 -37.76 13.0 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.255 1.022 . . . . 0.0 112.724 174.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -152.24 145.19 24.46 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.919 0.888 . . . . 0.0 112.53 -177.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 9.9 t -135.58 140.27 44.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 125.826 1.651 . . . . 0.0 109.883 172.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -135.28 136.49 41.68 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.644 1.577 . . . . 0.0 111.111 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.21 121.76 31.82 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 160.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -156.48 128.31 7.29 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.949 0.9 . . . . 0.0 111.745 -168.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.05 27.09 69.87 Favored Glycine 0 CA--C 1.538 1.512 0 N-CA-C 115.567 0.987 . . . . 0.0 115.567 171.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.61 19.8 72.77 Favored Glycine 0 CA--C 1.538 1.486 0 CA-C-N 118.743 1.272 . . . . 0.0 114.459 -173.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.01 166.82 23.14 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.354 1.861 . . . . 0.0 111.137 178.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 71.2 t -107.11 138.52 32.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 123.225 0.61 . . . . 0.0 110.413 162.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -130.1 138.79 50.88 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 126.285 1.834 . . . . 0.0 109.593 -179.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -146.51 145.97 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 124.015 0.926 . . . . 0.0 112.113 -168.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 47.5 m -131.77 126.33 34.15 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.802 1.241 . . . . 0.0 112.932 -177.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 30.7 p -87.37 170.48 11.36 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 124.997 1.319 . . . . 0.0 113.65 178.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -62.02 -15.47 44.54 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 172.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -87.16 3.96 44.28 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.774 1.23 . . . . 0.0 113.162 174.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 62.32 12.96 5.6 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.783 2.033 . . . . 0.0 114.21 -168.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -73.0 127.36 32.33 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.231 -0.918 . . . . 0.0 110.473 171.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -99.72 149.14 23.63 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.962 1.305 . . . . 0.0 112.284 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -135.07 147.47 49.58 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 126.091 1.756 . . . . 0.0 110.734 178.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.11 139.23 28.75 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.239 1.015 . . . . 0.0 112.598 -178.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -139.77 90.4 11.05 Favored Pre-proline 0 CA--C 1.542 0.671 0 C-N-CA 125.312 1.445 . . . . 0.0 110.847 -173.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -66.05 145.12 78.42 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 123.375 2.717 . . . . 0.0 112.416 177.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.7 3.15 83.93 Favored Glycine 0 CA--C 1.539 1.549 0 C-N-CA 124.929 1.252 . . . . 0.0 114.8 -177.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 64.1 mt -109.53 162.3 14.52 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 118.852 1.326 . . . . 0.0 113.598 177.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.46 162.0 35.6 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 128.056 2.542 . . . . 0.0 109.737 162.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 58.1 mt -72.14 124.92 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 O-C-N 121.157 -0.964 . . . . 0.0 109.044 177.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -106.03 -34.34 3.24 Favored Glycine 0 CA--C 1.527 0.784 0 C-N-CA 124.736 1.16 . . . . 0.0 114.718 -172.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 34.6 ttp85 -155.21 148.31 24.72 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.016 1.408 . . . . 0.0 111.784 -177.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 8.8 t -130.82 127.74 61.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 123.412 0.685 . . . . 0.0 109.267 161.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -118.9 86.93 2.64 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.53 1.532 . . . . 0.0 110.06 -174.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -65.02 -20.7 66.63 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.045 1.338 . . . . 0.0 113.126 -169.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 55.7 mtm180 -61.99 -25.82 67.86 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.981 1.313 . . . . 0.0 113.224 172.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 8.1 t -127.41 -7.06 5.81 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.492 1.517 . . . . 0.0 113.791 -178.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.21 24.1 74.27 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 125.345 1.45 . . . . 0.0 114.634 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 84.1 t -98.46 126.31 51.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 CA-C-N 118.628 1.214 . . . . 0.0 111.457 -175.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 83.1 mt -97.95 128.88 48.91 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 C-N-CA 127.15 2.18 . . . . 0.0 107.965 165.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 23.1 t -123.99 138.9 54.39 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.315 1.046 . . . . 0.0 111.117 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 23.5 mt -109.45 151.31 26.87 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.991 1.317 . . . . 0.0 112.276 -175.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -132.91 159.33 43.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 126.048 1.739 . . . . 0.0 111.445 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -70.66 128.73 37.07 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.339 -0.851 . . . . 0.0 111.94 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -82.83 -26.36 31.77 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 -178.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -146.63 153.63 40.54 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.54 1.936 . . . . 0.0 110.767 172.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -100.29 22.94 10.78 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.204 1.402 . . . . 0.0 112.981 177.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 34.6 ptt180 . . . . . 0 C--O 1.25 1.117 0 C-N-CA 127.177 2.191 . . . . 0.0 112.701 -171.331 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.574 0 CA-C-O 119.71 -0.494 . . . . 0.0 112.256 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -62.7 158.39 42.32 Favored 'Trans proline' 0 CA--C 1.542 0.895 0 C-N-CA 124.28 3.32 . . . . 0.0 113.926 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 73.63 -172.07 51.13 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 124.628 1.109 . . . . 0.0 114.529 179.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 20.1 m -66.79 149.8 50.04 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.743 1.217 . . . . 0.0 113.155 -177.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.0 ptt? -148.55 154.39 39.7 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.21 1.404 . . . . 0.0 110.982 173.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 14.3 t -95.12 135.74 36.31 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.546 0.738 . . . . 0.0 111.698 175.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -84.12 -51.59 6.95 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.641 0.777 . . . . 0.0 111.601 179.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -157.56 158.68 36.08 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.811 1.244 . . . . 0.0 112.436 166.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.8 tttt -106.56 130.68 54.29 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 126.276 1.83 . . . . 0.0 110.003 166.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 74.0 t -99.52 139.05 22.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 124.531 1.132 . . . . 0.0 109.15 166.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.4 p -139.68 139.29 38.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.2 1.0 . . . . 0.0 113.14 -178.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -149.22 165.14 32.78 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 127.146 2.178 . . . . 0.0 110.22 175.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.1 m -122.23 132.06 54.24 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 124.39 1.076 . . . . 0.0 110.861 177.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 39.7 mtmt -79.69 162.49 25.19 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.176 1.39 . . . . 0.0 113.105 -178.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.26 -18.68 61.89 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 123.898 0.879 . . . . 0.0 113.091 166.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -68.58 -11.23 59.71 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.111 1.365 . . . . 0.0 113.802 170.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.92 -8.13 64.06 Favored Glycine 0 CA--C 1.537 1.463 0 C-N-CA 125.371 1.463 . . . . 0.0 114.929 -173.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -88.62 149.74 21.28 Favored Glycine 0 CA--C 1.533 1.198 0 CA-C-N 118.361 1.081 . . . . 0.0 112.26 174.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 89.8 mtm-85 -82.15 157.11 24.14 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 122.035 -0.685 . . . . 0.0 112.567 173.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 24.2 t -117.86 136.5 54.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 125.789 1.636 . . . . 0.0 107.829 162.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -136.57 131.18 33.46 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.663 1.185 . . . . 0.0 110.267 -178.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 41.0 mt -128.16 106.24 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 124.77 1.228 . . . . 0.0 108.245 -171.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.17 169.75 38.47 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 124.044 0.83 . . . . 0.0 114.682 178.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 58.15 35.37 25.02 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.996 1.719 . . . . 0.0 113.791 173.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 68.8 t -74.08 130.73 35.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 125.697 1.599 . . . . 0.0 111.756 -177.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 71.3 mt -99.23 -25.88 14.36 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.413 1.485 . . . . 0.0 113.491 175.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -157.46 142.57 16.94 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.329 0.968 . . . . 0.0 111.668 -177.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.8 t -134.84 142.62 39.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 125.539 1.536 . . . . 0.0 110.026 174.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.88 142.68 46.65 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.66 1.584 . . . . 0.0 110.619 176.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.59 112.54 25.51 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.182 0.993 . . . . 0.0 109.286 164.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.5 tp10 -156.61 129.46 7.79 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.689 0.796 . . . . 0.0 113.136 -167.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.61 28.51 73.56 Favored Glycine 0 CA--C 1.536 1.361 0 N-CA-C 115.129 0.811 . . . . 0.0 115.129 171.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.42 20.35 78.77 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 124.321 0.962 . . . . 0.0 114.198 -173.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.01 154.68 48.28 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.803 1.641 . . . . 0.0 111.616 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 70.6 t -99.18 140.89 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 122.592 0.357 . . . . 0.0 110.119 164.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.3 mtt180 -132.51 139.0 47.73 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.486 1.514 . . . . 0.0 109.553 -169.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.2 t -138.32 146.65 26.45 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 C-N-CA 123.946 0.899 . . . . 0.0 111.874 -166.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 53.1 m -132.3 142.43 49.35 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 125.262 1.425 . . . . 0.0 110.867 172.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 72.6 p -123.64 167.09 14.42 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 126.261 1.824 . . . . 0.0 111.711 -177.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.51 -6.25 10.19 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 115.42 1.637 . . . . 0.0 115.42 176.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -78.79 2.56 19.44 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.645 1.178 . . . . 0.0 112.855 170.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 61.41 16.42 7.46 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 126.717 2.007 . . . . 0.0 114.188 -170.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -79.96 158.37 26.62 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 122.45 1.119 . . . . 0.0 112.786 173.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -132.39 138.92 47.88 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 126.103 1.761 . . . . 0.0 110.308 178.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -137.05 152.78 50.47 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.102 1.361 . . . . 0.0 111.164 -173.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -146.42 143.09 28.79 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.246 1.018 . . . . 0.0 112.129 177.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -137.73 87.08 17.53 Favored Pre-proline 0 CA--C 1.547 0.856 0 C-N-CA 125.777 1.631 . . . . 0.0 109.991 -170.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -67.87 145.55 68.85 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 123.273 2.649 . . . . 0.0 112.64 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.12 5.25 76.94 Favored Glycine 0 CA--C 1.533 1.164 0 C-N-CA 124.862 1.22 . . . . 0.0 114.352 -178.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.6 mt -112.86 160.43 18.04 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.333 1.453 . . . . 0.0 113.976 178.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.32 161.16 38.74 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 127.753 2.421 . . . . 0.0 110.283 167.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 55.1 mt -71.83 124.4 28.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 O-C-N 121.062 -1.024 . . . . 0.0 109.285 176.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -90.08 -53.07 2.43 Favored Glycine 0 CA--C 1.53 0.995 0 C-N-CA 124.622 1.106 . . . . 0.0 112.702 177.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.1 ptt85 -153.25 161.47 42.36 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.625 1.17 . . . . 0.0 112.837 176.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.9 t -129.75 127.9 64.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 124.625 1.17 . . . . 0.0 109.791 170.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -122.44 103.85 9.0 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.651 1.18 . . . . 0.0 111.263 -174.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -81.85 -4.96 57.76 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.003 1.321 . . . . 0.0 113.13 -170.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.8 mtm180 -71.44 -23.57 61.87 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.478 1.111 . . . . 0.0 111.888 168.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.3 m -125.89 -12.24 6.5 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.059 1.344 . . . . 0.0 113.846 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.07 29.29 62.88 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 124.374 0.988 . . . . 0.0 113.435 -176.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.7 t -102.95 127.2 56.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 124.597 1.159 . . . . 0.0 111.594 -173.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.2 mt -100.31 113.0 34.63 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 C-N-CA 126.908 2.083 . . . . 0.0 107.879 167.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 27.2 t -101.03 124.41 46.71 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 124.897 1.279 . . . . 0.0 111.099 -177.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.7 mt -99.81 152.39 20.18 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.31 1.044 . . . . 0.0 112.802 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -135.72 159.78 39.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 126.296 1.838 . . . . 0.0 110.328 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.2 mp0 -69.51 130.18 41.76 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.21 -0.931 . . . . 0.0 111.706 178.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.97 -13.72 59.13 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -176.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -145.03 149.23 34.75 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.004 1.722 . . . . 0.0 110.957 168.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -92.44 34.9 1.03 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.254 1.422 . . . . 0.0 114.11 -171.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.7 ptm85 . . . . . 0 C--O 1.252 1.189 0 C-N-CA 125.924 1.689 . . . . 0.0 113.182 -176.927 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.758 0 CA-C-O 118.72 -1.044 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_exo -63.51 -27.21 70.03 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 123.91 3.073 . . . . 0.0 115.378 -176.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . 77.72 -20.66 3.48 Favored Glycine 0 CA--C 1.541 1.704 0 C-N-CA 125.286 1.422 . . . . 0.0 115.012 -176.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 72.1 p -80.72 -12.85 59.4 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 126.125 1.77 . . . . 0.0 114.492 173.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptm -68.33 164.06 21.63 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.678 1.591 . . . . 0.0 113.157 176.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 58.1 m 62.38 -175.54 0.14 Allowed 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 126.561 1.944 . . . . 0.0 114.656 176.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 35.8 mtm -59.96 158.13 11.4 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.635 1.574 . . . . 0.0 114.23 -178.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.67 170.68 14.73 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-O 122.311 1.053 . . . . 0.0 113.349 177.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -132.12 135.2 46.24 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 125.657 1.583 . . . . 0.0 110.608 165.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 39.8 t -99.77 142.87 14.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 124.657 1.183 . . . . 0.0 110.455 -177.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 9.7 p -133.91 138.61 50.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 C-N-CA 125.421 1.488 . . . . 0.0 111.255 170.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -152.06 168.08 26.4 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.72 1.608 . . . . 0.0 111.904 -177.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.7 m -125.41 130.25 51.49 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.396 1.078 . . . . 0.0 110.047 173.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -73.08 162.14 29.81 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.188 1.395 . . . . 0.0 112.207 176.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.41 -24.33 66.44 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 113.299 0.852 . . . . 0.0 113.299 175.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -76.02 -3.28 34.86 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 124.953 1.301 . . . . 0.0 114.231 171.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.06 -1.55 88.75 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 125.861 1.696 . . . . 0.0 115.435 -176.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.77 134.66 14.85 Favored Glycine 0 CA--C 1.534 1.27 0 CA-C-N 118.707 1.253 . . . . 0.0 113.165 178.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 8.3 mmt85 -75.85 149.1 37.9 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.882 1.273 . . . . 0.0 112.416 174.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 90.8 t -138.33 137.81 43.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.597 1.559 . . . . 0.0 109.456 172.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -132.21 140.35 48.66 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.855 1.662 . . . . 0.0 110.921 177.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 52.8 mt -135.4 122.45 35.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.547 1.139 . . . . 0.0 109.84 -171.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -96.81 165.03 23.05 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 125.048 1.308 . . . . 0.0 114.405 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 50.87 45.86 26.9 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.199 1.799 . . . . 0.0 112.791 178.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 85.4 t -74.88 121.69 26.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 C-N-CA 124.422 1.089 . . . . 0.0 109.972 -178.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 15.8 tp -94.91 -32.15 13.35 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.102 1.761 . . . . 0.0 111.901 -172.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 62.5 tt0 -157.33 148.14 21.41 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.025 1.73 . . . . 0.0 111.287 174.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 5.4 m -131.23 152.23 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 C-N-CA 124.663 1.185 . . . . 0.0 111.395 164.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -139.36 140.1 37.39 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.597 1.559 . . . . 0.0 111.273 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -96.71 126.14 41.67 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.15 0.98 . . . . 0.0 108.79 166.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -157.0 126.92 6.28 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.536 -0.727 . . . . 0.0 112.353 -170.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.87 28.96 71.08 Favored Glycine 0 CA--C 1.541 1.664 0 N-CA-C 115.772 1.069 . . . . 0.0 115.772 169.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.7 23.21 67.72 Favored Glycine 0 CA--C 1.538 1.49 0 CA-C-N 118.429 1.115 . . . . 0.0 114.139 -173.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.87 166.78 23.72 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.614 1.966 . . . . 0.0 111.056 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 80.1 t -113.33 139.47 38.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 123.6 0.76 . . . . 0.0 110.72 166.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -117.48 143.5 45.99 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.711 1.605 . . . . 0.0 110.006 172.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 4.3 m -136.93 142.43 37.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.105 0.962 . . . . 0.0 111.522 -178.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 87.0 m -125.89 133.25 51.96 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.622 1.569 . . . . 0.0 110.234 -178.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 43.0 p -101.4 168.07 9.76 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 122.267 1.032 . . . . 0.0 113.142 -176.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 63.2 tp -49.76 -33.93 17.76 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.281 1.832 . . . . 0.0 113.838 170.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -80.6 6.63 12.07 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.892 1.677 . . . . 0.0 114.03 -176.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 30.6 t0 61.13 21.17 11.61 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.545 1.938 . . . . 0.0 114.032 -174.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -83.9 157.25 22.02 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 122.056 0.931 . . . . 0.0 111.267 165.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -140.7 139.63 34.77 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.685 1.194 . . . . 0.0 111.131 -176.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -135.04 153.73 51.96 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.282 1.433 . . . . 0.0 110.768 -176.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -138.7 141.57 38.96 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.335 1.054 . . . . 0.0 112.129 -177.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -137.27 93.47 12.96 Favored Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 125.281 1.432 . . . . 0.0 110.459 -170.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -61.37 146.17 97.49 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 123.888 3.059 . . . . 0.0 113.777 176.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.32 8.05 87.64 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 124.804 1.192 . . . . 0.0 114.57 177.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 62.3 mt -108.53 162.07 14.47 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 118.766 1.283 . . . . 0.0 113.254 177.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.44 159.21 42.7 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.545 2.338 . . . . 0.0 110.003 166.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 26.3 mt -71.96 112.76 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 174.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -85.36 -45.81 5.74 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 123.809 0.719 . . . . 0.0 113.325 -178.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -153.61 159.56 42.16 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.198 1.399 . . . . 0.0 112.793 178.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 11.7 t -130.61 114.44 28.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 126.014 1.725 . . . . 0.0 108.499 171.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -101.67 88.56 3.44 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.923 1.289 . . . . 0.0 109.698 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -65.32 -16.75 63.91 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -172.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 55.5 mtt85 -59.97 -24.54 64.5 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.125 1.37 . . . . 0.0 113.463 174.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 20.8 t -134.33 -0.78 2.94 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.416 1.886 . . . . 0.0 112.895 177.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.26 24.75 74.83 Favored Glycine 0 CA--C 1.533 1.198 0 O-C-N 120.566 -1.334 . . . . 0.0 113.922 -175.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 93.8 t -81.56 118.14 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 CA-C-N 118.24 1.02 . . . . 0.0 111.337 -177.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 78.7 mt -97.07 119.09 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 125.19 1.396 . . . . 0.0 107.908 169.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 12.1 t -107.84 125.01 50.94 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.621 0.768 . . . . 0.0 111.082 177.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 23.7 mt -97.87 142.84 29.12 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.691 0.796 . . . . 0.0 111.256 178.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.6 pp -128.92 156.73 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 125.852 1.661 . . . . 0.0 111.159 -177.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 53.9 mp0 -66.25 118.12 9.5 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.376 1.071 . . . . 0.0 111.853 178.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -70.79 -22.45 62.36 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.075 0.95 . . . . 0.0 113.186 -176.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -90.43 3.88 52.56 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.821 1.648 . . . . 0.0 114.001 172.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 8.6 m120 51.47 32.04 8.23 Favored 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 128.881 2.872 . . . . 0.0 114.649 176.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 96.9 mtt-85 . . . . . 0 C--O 1.251 1.181 0 C-N-CA 126.249 1.82 . . . . 0.0 112.412 -177.285 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.618 0 N-CA-C 111.782 -0.527 . . . . 0.0 111.782 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -73.49 -16.02 24.5 Favored 'Trans proline' 0 CA--C 1.543 0.966 0 C-N-CA 123.79 2.993 . . . . 0.0 114.434 -176.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 72.69 -150.78 45.27 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.342 0.972 . . . . 0.0 112.687 -172.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 32.6 t -64.56 133.5 52.46 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.814 0.846 . . . . 0.0 112.065 177.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ptm -161.02 144.3 13.0 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.644 1.977 . . . . 0.0 108.183 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 93.1 m -93.01 139.24 30.73 Favored 'General case' 0 C--O 1.238 0.497 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -173.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -82.86 162.87 21.47 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.501 1.52 . . . . 0.0 112.75 175.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.55 174.31 7.67 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.95 1.3 . . . . 0.0 113.346 172.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -130.33 136.84 49.53 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.226 1.81 . . . . 0.0 111.414 169.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.2 t -100.55 144.09 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 125.161 1.384 . . . . 0.0 110.469 -178.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.6 p -139.45 144.16 29.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 125.176 1.39 . . . . 0.0 111.535 172.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 pp -145.99 157.09 43.88 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.579 1.152 . . . . 0.0 112.011 179.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.6 m -121.46 127.69 51.36 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.941 1.296 . . . . 0.0 109.416 167.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.8 mtmt -77.47 161.72 27.73 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.731 1.212 . . . . 0.0 111.984 177.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.12 -19.79 61.91 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 123.601 0.761 . . . . 0.0 112.837 166.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -71.39 -10.98 60.63 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.553 1.541 . . . . 0.0 113.656 172.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.46 -8.01 66.44 Favored Glycine 0 CA--C 1.54 1.599 0 C-N-CA 125.459 1.504 . . . . 0.0 114.754 -172.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.55 160.29 51.89 Favored Glycine 0 CA--C 1.534 1.259 0 CA-C-N 118.727 1.264 . . . . 0.0 113.253 173.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -127.05 152.69 46.94 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.483 1.513 . . . . 0.0 113.026 -177.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 26.2 t -138.65 141.76 36.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 C-N-CA 125.398 1.479 . . . . 0.0 109.689 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -131.47 140.65 49.62 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.44 1.496 . . . . 0.0 110.712 178.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 31.5 mt -138.41 114.25 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.715 1.206 . . . . 0.0 109.926 -171.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.06 165.13 34.28 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.394 0.997 . . . . 0.0 114.577 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 56.26 38.13 29.5 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.001 1.72 . . . . 0.0 115.396 170.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.5 p -76.36 134.05 29.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.182 0.993 . . . . 0.0 111.666 -178.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.2 mt -91.67 -30.26 16.41 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.143 1.377 . . . . 0.0 113.178 173.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -158.85 145.23 16.95 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.929 0.891 . . . . 0.0 112.254 -175.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.0 m -133.94 148.55 30.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 125.189 1.396 . . . . 0.0 110.674 167.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.48 137.33 35.44 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.814 1.246 . . . . 0.0 111.492 175.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -99.23 118.47 35.99 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.916 1.686 . . . . 0.0 109.275 171.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -160.85 132.99 5.95 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.634 1.174 . . . . 0.0 110.953 -164.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.24 24.84 70.8 Favored Glycine 0 CA--C 1.537 1.421 0 N-CA-C 114.922 0.729 . . . . 0.0 114.922 174.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.51 21.05 75.93 Favored Glycine 0 CA--C 1.54 1.645 0 CA-C-N 118.326 1.063 . . . . 0.0 114.239 -173.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.73 167.66 21.49 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 126.12 1.768 . . . . 0.0 111.251 179.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.9 t -116.81 131.55 69.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 122.975 0.51 . . . . 0.0 111.768 166.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 -105.34 149.28 26.2 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 126.172 1.789 . . . . 0.0 111.37 170.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.4 m -137.21 151.3 26.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 125.434 1.494 . . . . 0.0 111.325 178.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 84.9 m -134.56 130.61 36.81 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 125.493 1.517 . . . . 0.0 112.029 -177.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 36.6 p -104.23 167.3 9.84 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 125.026 1.33 . . . . 0.0 112.982 179.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -63.46 -13.16 37.59 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 174.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -79.45 3.2 19.22 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.485 1.114 . . . . 0.0 113.331 174.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 60.95 11.24 3.2 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 127.162 2.185 . . . . 0.0 113.942 -165.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -80.98 143.82 32.28 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.677 1.191 . . . . 0.0 111.592 173.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -125.68 152.27 45.47 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.785 1.234 . . . . 0.0 112.584 174.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -134.64 155.9 49.68 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.425 1.49 . . . . 0.0 110.415 173.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.47 142.05 33.65 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.482 1.113 . . . . 0.0 111.948 -175.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -137.83 94.17 11.71 Favored Pre-proline 0 CA--C 1.544 0.723 0 C-N-CA 124.899 1.28 . . . . 0.0 111.359 -169.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -62.73 145.51 94.96 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 123.537 2.824 . . . . 0.0 113.808 177.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.71 5.04 86.97 Favored Glycine 0 CA--C 1.535 1.33 0 C-N-CA 125.015 1.293 . . . . 0.0 114.594 175.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 66.2 mt -107.7 161.88 14.49 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.232 1.413 . . . . 0.0 113.218 178.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.57 161.25 38.19 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.222 1.809 . . . . 0.0 110.544 164.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.3 mt -74.11 119.09 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 175.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -98.4 -34.58 5.26 Favored Glycine 0 CA--C 1.529 0.957 0 C-N-CA 124.174 0.892 . . . . 0.0 115.106 -177.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 39.4 ttp85 -157.03 143.82 18.42 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 118.656 1.228 . . . . 0.0 111.231 -174.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 42.7 t -132.81 125.7 52.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 124.936 1.294 . . . . 0.0 108.465 176.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -134.49 97.36 3.79 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.545 1.138 . . . . 0.0 110.857 -168.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -75.5 -7.3 53.79 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.351 1.46 . . . . 0.0 113.628 -169.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 66.7 mtt85 -63.61 -28.36 69.87 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.568 1.147 . . . . 0.0 112.708 173.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.2 t -132.4 4.16 3.97 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.84 1.656 . . . . 0.0 112.492 176.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 64.53 33.6 87.66 Favored Glycine 0 CA--C 1.535 1.329 0 O-C-N 120.675 -1.266 . . . . 0.0 113.526 -176.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.7 t -85.89 130.9 35.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 CA-C-N 118.28 1.04 . . . . 0.0 111.026 -178.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 88.0 mt -113.28 118.33 57.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 125.981 1.713 . . . . 0.0 107.657 169.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.0 t -116.49 125.42 51.92 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.498 1.119 . . . . 0.0 111.928 -174.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.4 mp -104.26 150.59 24.28 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.665 1.586 . . . . 0.0 111.205 -178.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.05 165.02 33.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.202 1.401 . . . . 0.0 111.363 178.115 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -68.02 118.1 10.75 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.552 0.741 . . . . 0.0 110.402 173.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -77.2 -21.24 54.2 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -175.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -150.92 157.85 43.42 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 126.751 2.02 . . . . 0.0 110.849 164.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 51.6 p30 -142.06 10.33 1.94 Allowed 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 -176.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 96.5 mtm-85 . . . . . 0 C--O 1.255 1.379 0 C-N-CA 125.075 1.35 . . . . 0.0 112.171 176.958 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.577 0 CA-C-O 119.438 -0.646 . . . . 0.0 111.715 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo -60.31 159.34 27.27 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 124.061 3.174 . . . . 0.0 114.228 177.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -172.03 169.34 42.44 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.102 1.334 . . . . 0.0 113.376 177.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 17.1 t -156.56 165.68 35.58 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.085 1.354 . . . . 0.0 111.947 -178.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 94.3 mtp -65.98 158.79 27.27 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.205 1.402 . . . . 0.0 113.073 176.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 46.0 t -139.33 142.15 37.65 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.995 1.318 . . . . 0.0 111.203 177.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -121.12 152.29 38.88 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.735 1.614 . . . . 0.0 112.079 -173.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.97 170.31 16.42 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 124.612 1.165 . . . . 0.0 113.33 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -121.52 129.4 52.88 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.83 1.252 . . . . 0.0 110.725 161.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 74.4 t -99.73 143.3 13.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.861 1.264 . . . . 0.0 110.086 -178.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.9 p -134.5 143.82 36.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.174 1.39 . . . . 0.0 111.366 171.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 pp -147.86 157.01 43.31 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.278 1.431 . . . . 0.0 112.304 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 16.7 m -112.58 131.51 55.58 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.932 1.293 . . . . 0.0 110.795 175.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 38.3 mtmt -79.84 161.82 25.42 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.457 1.503 . . . . 0.0 112.28 177.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.42 -21.74 64.39 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 123.471 0.709 . . . . 0.0 112.872 166.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -69.38 -11.26 60.67 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.166 1.386 . . . . 0.0 114.153 171.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.0 -9.93 54.91 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 125.22 1.39 . . . . 0.0 114.848 -171.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.04 167.75 54.45 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.514 1.054 . . . . 0.0 112.804 170.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -127.47 152.94 46.92 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.227 1.411 . . . . 0.0 113.225 -178.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 95.1 t -133.2 142.02 43.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 126.165 1.786 . . . . 0.0 109.728 -177.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -130.03 149.62 51.67 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.137 1.375 . . . . 0.0 112.127 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 25.1 mt -137.15 122.66 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 125.52 1.528 . . . . 0.0 109.401 -178.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -94.74 168.14 27.51 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 124.464 1.031 . . . . 0.0 114.232 176.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 56.41 35.87 26.61 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 125.877 1.671 . . . . 0.0 114.119 173.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 72.8 t -75.72 119.01 22.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 125.555 1.542 . . . . 0.0 111.944 -175.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 58.1 mt -79.22 -35.16 42.09 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.667 1.187 . . . . 0.0 112.709 169.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 72.5 tt0 -156.45 147.33 21.95 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 119.182 0.901 . . . . 0.0 113.037 -169.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 46.9 t -134.41 138.62 49.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 125.805 1.642 . . . . 0.0 109.789 174.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 37.8 mtt85 -139.36 128.63 24.03 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.529 1.132 . . . . 0.0 110.865 -171.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.21 120.52 40.88 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.639 1.175 . . . . 0.0 110.421 171.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -158.92 138.07 11.37 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.469 1.108 . . . . 0.0 112.05 -177.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.52 25.95 73.74 Favored Glycine 0 CA--C 1.538 1.493 0 N-CA-C 115.242 0.857 . . . . 0.0 115.242 172.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.18 22.41 76.34 Favored Glycine 0 CA--C 1.539 1.532 0 CA-C-N 117.988 0.894 . . . . 0.0 114.447 -174.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.21 157.91 44.61 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.762 1.625 . . . . 0.0 111.271 -179.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 92.8 t -111.44 142.31 24.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 123.817 0.847 . . . . 0.0 111.342 169.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 58.5 mtt85 -127.74 150.47 49.78 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 126.259 1.823 . . . . 0.0 110.387 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 21.9 t -136.77 144.0 33.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 124.67 1.188 . . . . 0.0 110.957 -172.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 85.0 m -131.4 134.47 46.29 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 124.463 1.105 . . . . 0.0 111.484 176.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 30.8 p -107.14 166.98 10.22 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.656 1.582 . . . . 0.0 112.51 178.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.21 -7.84 26.95 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 115.151 1.538 . . . . 0.0 115.151 174.7 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -79.4 0.52 28.92 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.473 1.109 . . . . 0.0 112.848 169.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 26.5 t0 59.34 22.75 11.16 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.144 1.778 . . . . 0.0 113.416 -168.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -84.5 141.82 30.48 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.871 1.268 . . . . 0.0 110.773 172.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -122.38 150.03 42.98 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.083 1.353 . . . . 0.0 112.367 -175.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -136.67 155.49 49.81 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.584 1.553 . . . . 0.0 111.156 -179.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.82 138.36 27.01 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.208 1.403 . . . . 0.0 112.108 177.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -139.63 90.62 11.12 Favored Pre-proline 0 CA--C 1.542 0.636 0 C-N-CA 125.92 1.688 . . . . 0.0 110.925 -172.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -67.46 146.23 73.78 Favored 'Trans proline' 0 CA--C 1.535 0.561 0 C-N-CA 123.061 2.507 . . . . 0.0 112.136 177.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.01 0.72 88.98 Favored Glycine 0 CA--C 1.538 1.493 0 C-N-CA 124.928 1.251 . . . . 0.0 114.853 -178.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 36.4 mt -100.77 162.43 12.91 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.082 1.441 . . . . 0.0 113.743 177.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.52 157.32 45.67 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 127.673 2.389 . . . . 0.0 109.786 165.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 42.6 mt -72.31 118.05 16.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 O-C-N 121.046 -1.034 . . . . 0.0 109.279 176.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -98.01 -35.7 4.98 Favored Glycine 0 CA--C 1.533 1.166 0 CA-C-O 119.382 -0.677 . . . . 0.0 114.512 -173.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 46.7 ttt-85 -158.44 148.95 20.18 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 118.186 0.993 . . . . 0.0 111.964 -173.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 10.9 t -131.57 131.53 62.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.584 1.153 . . . . 0.0 109.466 165.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -123.42 111.06 15.89 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 125.718 1.607 . . . . 0.0 109.675 176.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -81.77 -14.62 56.19 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.541 1.137 . . . . 0.0 113.314 -174.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 38.2 mtm180 -67.36 -38.17 84.36 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.821 1.248 . . . . 0.0 111.621 175.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 12.2 t -106.42 -12.89 15.51 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.022 1.329 . . . . 0.0 114.005 172.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.26 27.32 66.23 Favored Glycine 0 CA--C 1.538 1.493 0 O-C-N 120.71 -1.244 . . . . 0.0 113.98 -172.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 54.8 t -87.22 138.57 18.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 125.446 1.498 . . . . 0.0 111.494 -177.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 87.8 mt -118.07 126.3 74.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 C-N-CA 125.968 1.707 . . . . 0.0 108.06 165.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 16.4 m -111.9 128.02 56.02 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.338 0.655 . . . . 0.0 110.705 176.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 27.1 mt -100.34 146.43 26.96 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 124.713 1.205 . . . . 0.0 111.409 174.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 pp -133.53 156.66 41.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 125.46 1.504 . . . . 0.0 110.719 -177.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 13.0 mp0 -66.65 131.22 45.51 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.321 -0.862 . . . . 0.0 110.948 175.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.51 -4.09 24.81 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 -163.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -118.09 8.29 12.4 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.793 1.637 . . . . 0.0 114.885 173.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -110.12 44.17 1.26 Allowed 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.826 2.05 . . . . 0.0 110.748 178.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 54.0 ptt85 . . . . . 0 C--O 1.25 1.12 0 C-N-CA 126.446 1.898 . . . . 0.0 113.366 -172.221 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.6 0 CA-C-O 118.509 -1.162 . . . . 0.0 111.422 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -65.05 -34.79 45.59 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 123.414 2.743 . . . . 0.0 114.14 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -78.69 148.96 32.67 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 124.355 0.979 . . . . 0.0 112.82 174.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 89.0 p -154.58 160.38 41.45 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.099 0.96 . . . . 0.0 113.309 -178.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.68 163.53 39.78 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.728 1.611 . . . . 0.0 111.397 175.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 40.8 t -81.33 152.39 27.56 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.749 1.22 . . . . 0.0 111.998 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -65.17 162.35 17.28 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.796 0.839 . . . . 0.0 111.98 169.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.22 -178.85 2.17 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.694 1.198 . . . . 0.0 113.662 177.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -131.58 148.32 52.6 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.432 1.893 . . . . 0.0 111.487 163.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.8 t -99.38 146.01 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.264 1.025 . . . . 0.0 110.424 175.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.2 p -140.95 141.76 31.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 124.846 1.258 . . . . 0.0 112.381 178.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 pp -151.78 157.57 42.15 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.795 1.638 . . . . 0.0 112.842 -178.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.7 m -116.22 133.39 56.08 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.217 1.407 . . . . 0.0 110.715 172.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -84.46 163.1 19.66 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.344 1.858 . . . . 0.0 112.113 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.38 -26.61 67.95 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 179.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -80.78 -0.23 37.72 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 124.803 1.241 . . . . 0.0 114.188 173.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.1 -2.1 88.05 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 125.215 1.388 . . . . 0.0 115.57 -179.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.5 163.45 54.2 Favored Glycine 0 CA--C 1.536 1.397 0 CA-C-N 118.746 1.273 . . . . 0.0 112.381 169.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -128.81 152.44 48.47 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.42 1.088 . . . . 0.0 113.15 -177.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.5 t -134.7 138.11 49.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 125.318 1.447 . . . . 0.0 109.654 -178.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.2 mp0 -125.7 142.58 51.44 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 124.913 1.285 . . . . 0.0 110.944 175.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -126.94 96.08 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 125.412 1.485 . . . . 0.0 109.194 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.27 163.01 44.56 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 124.16 0.886 . . . . 0.0 113.843 178.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 53.14 40.99 32.13 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.072 1.349 . . . . 0.0 112.778 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.5 p -71.4 136.65 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 124.048 0.939 . . . . 0.0 111.46 179.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 33.4 mt -101.2 -31.11 11.17 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.797 0.839 . . . . 0.0 112.738 174.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -154.16 143.31 21.26 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.318 1.047 . . . . 0.0 112.405 -177.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.2 t -136.21 142.2 39.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 126.478 1.911 . . . . 0.0 109.897 174.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -135.64 138.69 43.12 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.83 1.652 . . . . 0.0 111.272 174.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.44 134.04 35.33 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.779 1.232 . . . . 0.0 109.621 161.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -129.4 177.97 6.8 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.839 1.656 . . . . 0.0 111.105 -176.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.53 -7.34 10.44 Favored Glycine 0 CA--C 1.538 1.524 0 N-CA-C 117.227 1.651 . . . . 0.0 117.227 -171.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -158.12 11.1 0.22 Allowed Glycine 0 CA--C 1.538 1.526 0 CA-C-N 118.802 1.301 . . . . 0.0 115.852 173.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -161.75 160.04 27.91 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 119.291 1.546 . . . . 0.0 112.789 -174.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 56.7 t -94.4 142.54 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.318 0.647 . . . . 0.0 109.865 155.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 51.5 mtt85 -129.11 143.94 51.03 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.961 1.704 . . . . 0.0 110.965 173.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -152.55 141.76 14.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 124.294 1.038 . . . . 0.0 112.509 -169.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.4 m -127.05 139.14 53.22 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.471 1.508 . . . . 0.0 111.732 -177.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 34.0 p -109.01 167.46 10.08 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.443 1.497 . . . . 0.0 114.331 -171.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.0 tt -55.16 -28.71 54.78 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.77 2.028 . . . . 0.0 113.373 171.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -80.05 6.73 10.7 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.183 1.393 . . . . 0.0 113.731 178.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 61.32 11.25 3.52 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 127.251 2.221 . . . . 0.0 114.661 -170.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -81.86 146.14 30.01 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.496 1.119 . . . . 0.0 111.07 172.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -135.3 137.36 42.4 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.016 1.726 . . . . 0.0 111.152 -174.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -128.33 152.13 48.51 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 125.689 1.596 . . . . 0.0 111.53 -171.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -130.4 139.71 50.61 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 125.133 1.373 . . . . 0.0 111.764 172.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -133.35 91.63 26.6 Favored Pre-proline 0 CA--C 1.543 0.698 0 C-N-CA 125.701 1.601 . . . . 0.0 110.491 -176.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -66.4 148.18 83.78 Favored 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 123.494 2.796 . . . . 0.0 113.069 -176.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.17 -1.14 76.89 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 125.978 1.752 . . . . 0.0 115.397 -178.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 34.9 mt -96.87 162.64 13.32 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 119.379 1.59 . . . . 0.0 113.832 178.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.03 160.47 39.87 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 127.883 2.473 . . . . 0.0 110.448 164.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.5 mt -72.14 118.03 16.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 O-C-N 121.321 -0.862 . . . . 0.0 109.036 175.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.47 -42.4 4.24 Favored Glycine 0 CA--C 1.53 1.016 0 C-N-CA 123.848 0.737 . . . . 0.0 113.848 -175.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -156.52 147.8 22.32 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.631 1.172 . . . . 0.0 112.148 -174.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 39.1 t -131.52 114.74 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 125.956 1.702 . . . . 0.0 109.202 174.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -98.14 107.57 20.07 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 125.074 1.35 . . . . 0.0 110.496 174.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -76.42 -20.66 56.87 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 121.767 -0.583 . . . . 0.0 111.531 173.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 70.1 mtm180 -66.56 -22.79 66.15 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 125.082 1.353 . . . . 0.0 113.896 174.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 96.2 p -133.3 -9.52 2.92 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 -177.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.39 42.04 43.11 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 124.251 0.929 . . . . 0.0 113.411 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.5 t -122.0 126.64 74.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 CA-C-N 118.343 1.071 . . . . 0.0 111.752 -176.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 98.9 mt -104.11 109.91 28.72 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 126.369 1.867 . . . . 0.0 108.186 171.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.6 t -98.15 125.64 43.26 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.511 1.124 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 25.2 mt -96.93 151.09 20.03 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.11 0.964 . . . . 0.0 111.693 176.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -133.66 155.02 39.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 126.188 1.795 . . . . 0.0 110.685 179.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.5 mp0 -67.78 124.25 22.79 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.575 0.75 . . . . 0.0 110.204 173.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.48 -16.48 61.29 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 -168.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -72.11 5.58 2.67 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 115.444 1.646 . . . . 0.0 115.444 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -87.79 7.14 31.84 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 126.799 2.04 . . . . 0.0 113.549 170.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 82.9 mmt-85 . . . . . 0 C--O 1.249 1.034 0 C-N-CA 126.484 1.914 . . . . 0.0 111.067 -177.992 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.389 0 CA-C-O 119.27 -0.739 . . . . 0.0 111.537 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -66.72 155.37 70.8 Favored 'Trans proline' 0 CA--C 1.537 0.667 0 C-N-CA 123.564 2.843 . . . . 0.0 113.284 -177.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . 79.14 -16.08 9.93 Favored Glycine 0 CA--C 1.538 1.519 0 C-N-CA 125.629 1.585 . . . . 0.0 115.936 176.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 8.7 t 63.79 -36.32 0.17 Allowed 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 128.178 2.591 . . . . 0.0 116.813 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 3.0 tmm? -62.78 148.52 46.61 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.827 2.051 . . . . 0.0 112.255 177.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 45.6 t -142.7 133.3 25.17 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.028 0.931 . . . . 0.0 111.745 173.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 5.0 mpp? -70.38 160.42 32.34 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.455 1.502 . . . . 0.0 113.944 -177.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.47 -170.97 0.72 Allowed 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.239 1.416 . . . . 0.0 112.652 168.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -141.06 152.84 45.15 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.428 1.891 . . . . 0.0 111.731 168.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 14.9 t -104.76 146.68 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 124.908 1.283 . . . . 0.0 110.953 176.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 8.6 p -139.01 144.92 28.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 125.569 1.548 . . . . 0.0 112.447 173.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 pp -143.85 158.65 43.54 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.161 1.784 . . . . 0.0 110.369 169.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 26.1 m -122.14 130.66 53.43 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.17 0.988 . . . . 0.0 111.27 177.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -81.57 161.92 23.35 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.314 1.846 . . . . 0.0 112.314 -178.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.99 -24.58 67.12 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.057 0.943 . . . . 0.0 113.405 173.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -74.07 -5.83 43.94 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.522 1.529 . . . . 0.0 114.178 172.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.61 -3.93 86.46 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.708 1.623 . . . . 0.0 115.607 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -84.22 151.08 26.68 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 124.697 1.142 . . . . 0.0 112.222 172.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 86.2 mtm-85 -96.83 160.1 14.55 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 117.895 0.847 . . . . 0.0 112.849 176.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 62.2 t -127.16 135.54 63.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.812 1.645 . . . . 0.0 108.431 165.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -137.76 144.86 41.82 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.608 1.163 . . . . 0.0 112.078 -171.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -132.57 108.52 13.49 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 125.134 1.374 . . . . 0.0 110.239 -175.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.37 167.29 42.92 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 124.24 0.924 . . . . 0.0 113.605 174.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 55.44 35.88 25.97 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.205 1.402 . . . . 0.0 114.174 175.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 11.3 p -75.16 134.28 29.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 124.465 1.106 . . . . 0.0 112.245 -176.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 75.9 mt -97.09 -29.89 13.36 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.257 1.423 . . . . 0.0 112.468 176.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -159.36 139.07 11.62 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.06 0.944 . . . . 0.0 111.986 -168.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 9.0 t -139.73 137.54 39.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 125.606 1.562 . . . . 0.0 109.996 176.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 4.4 ptt85 -153.22 141.89 20.94 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.366 1.066 . . . . 0.0 112.801 -172.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -97.86 127.66 43.96 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.128 1.371 . . . . 0.0 110.15 176.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -151.9 125.01 8.65 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.389 1.076 . . . . 0.0 111.343 -168.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.19 24.13 62.88 Favored Glycine 0 CA--C 1.538 1.524 0 N-CA-C 115.899 1.12 . . . . 0.0 115.899 172.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.31 16.28 69.52 Favored Glycine 0 CA--C 1.537 1.439 0 CA-C-N 118.53 1.165 . . . . 0.0 114.777 -173.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.77 168.44 15.12 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 127.16 2.184 . . . . 0.0 111.336 174.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 92.0 t -115.0 139.88 39.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 123.867 0.867 . . . . 0.0 110.662 165.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -118.93 144.15 46.6 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.683 1.993 . . . . 0.0 110.56 173.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -145.81 134.28 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 124.249 1.02 . . . . 0.0 111.244 -176.278 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 5.2 m -127.29 134.79 49.99 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.501 1.121 . . . . 0.0 112.234 -168.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 36.2 p -106.71 167.31 9.95 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 125.552 1.541 . . . . 0.0 113.448 -175.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.65 -7.16 24.49 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 115.373 1.62 . . . . 0.0 115.373 172.305 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -79.24 1.1 25.94 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.172 0.989 . . . . 0.0 112.822 170.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 26.7 t0 59.15 19.11 7.07 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.513 1.925 . . . . 0.0 113.683 -166.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -88.76 135.66 33.4 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.203 1.401 . . . . 0.0 110.356 172.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -124.35 134.17 53.23 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.738 1.215 . . . . 0.0 111.335 -179.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -108.17 151.1 26.37 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 127.16 2.184 . . . . 0.0 110.665 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -139.84 137.75 35.18 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.386 1.074 . . . . 0.0 111.699 177.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -137.25 91.93 14.16 Favored Pre-proline 0 CA--C 1.54 0.579 0 C-N-CA 125.338 1.455 . . . . 0.0 110.693 -172.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -69.39 145.88 60.74 Favored 'Trans proline' 0 CA--C 1.535 0.553 0 C-N-CA 123.263 2.642 . . . . 0.0 112.872 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.11 -1.11 89.15 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 125.183 1.373 . . . . 0.0 115.382 -176.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 24.6 mt -98.36 163.99 12.47 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 118.77 1.285 . . . . 0.0 113.777 178.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.88 159.41 42.23 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 128.266 2.626 . . . . 0.0 109.925 163.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 52.9 mt -71.74 116.3 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 175.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.09 -39.75 3.95 Favored Glycine 0 CA--C 1.53 1.018 0 C-N-CA 124.53 1.062 . . . . 0.0 114.921 -172.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -155.32 150.77 27.19 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.554 1.142 . . . . 0.0 111.765 -174.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 33.5 t -140.14 132.44 33.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 125.523 1.529 . . . . 0.0 109.783 175.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.09 115.09 19.94 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.337 1.055 . . . . 0.0 110.756 173.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -80.12 -23.2 41.36 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.812 1.245 . . . . 0.0 112.583 -177.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -65.71 -41.41 92.32 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.527 1.131 . . . . 0.0 112.254 171.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 18.4 t -88.76 -25.37 22.32 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.176 0.99 . . . . 0.0 113.403 177.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.75 48.99 11.21 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 124.325 0.964 . . . . 0.0 112.463 -174.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 9.6 p -136.13 144.02 34.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.797 0.839 . . . . 0.0 113.112 -173.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 97.7 mt -116.58 132.93 64.8 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 127.546 2.339 . . . . 0.0 107.835 172.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 36.4 t -125.36 126.38 44.95 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.968 1.307 . . . . 0.0 111.404 -176.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 22.1 mt -99.85 149.31 23.52 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.867 1.267 . . . . 0.0 111.86 -177.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -132.54 154.24 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 125.812 1.645 . . . . 0.0 110.842 179.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -69.32 125.28 26.21 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.874 -0.517 . . . . 0.0 110.85 172.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -74.0 -15.25 61.1 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -175.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -70.56 5.87 1.66 Allowed 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.944 1.698 . . . . 0.0 115.493 175.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -78.98 -13.03 60.04 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.134 1.374 . . . . 0.0 113.451 167.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 33.8 mtp-105 . . . . . 0 C--O 1.251 1.156 0 C-N-CA 126.42 1.888 . . . . 0.0 112.3 176.946 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.771 0 N-CA-C 112.146 -0.381 . . . . 0.0 112.146 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -68.58 154.54 71.36 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 C-N-CA 124.151 3.234 . . . . 0.0 112.611 179.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -163.74 25.74 0.2 Allowed Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.206 0.908 . . . . 0.0 114.834 -178.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 15.8 m -68.93 -8.65 46.3 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 115.876 1.806 . . . . 0.0 115.876 -170.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ptm -142.23 160.12 40.87 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.243 1.817 . . . . 0.0 111.313 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.2 t -142.89 173.87 11.17 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.072 1.349 . . . . 0.0 111.676 -176.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -137.81 149.68 46.56 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.818 1.647 . . . . 0.0 110.886 172.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -101.91 161.57 13.57 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.892 1.277 . . . . 0.0 113.043 178.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 72.1 tttt -91.57 127.68 37.11 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.186 0.995 . . . . 0.0 108.953 156.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.3 t -104.91 138.11 31.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.807 0.843 . . . . 0.0 109.994 171.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.8 p -134.4 139.94 46.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 125.023 1.329 . . . . 0.0 111.683 178.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 pp -147.12 163.03 37.6 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.993 1.717 . . . . 0.0 111.335 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.9 m -122.37 129.95 52.63 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.161 0.984 . . . . 0.0 110.68 171.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -74.48 165.36 25.33 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.621 1.568 . . . . 0.0 112.219 -179.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.52 -24.52 66.67 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 124.164 0.986 . . . . 0.0 113.645 175.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -79.29 -2.0 39.29 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.075 1.35 . . . . 0.0 114.281 172.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.46 -1.65 88.3 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 125.534 1.54 . . . . 0.0 115.714 179.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -85.63 138.81 16.68 Favored Glycine 0 CA--C 1.532 1.112 0 CA-C-N 118.899 1.35 . . . . 0.0 112.445 175.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 80.0 mtm-85 -80.07 157.63 26.66 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 118.446 1.123 . . . . 0.0 113.294 177.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 91.8 t -130.57 133.75 63.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 125.88 1.672 . . . . 0.0 108.497 164.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -130.97 131.02 44.13 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.391 1.476 . . . . 0.0 110.127 -176.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.9 mt -132.22 109.97 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 125.028 1.331 . . . . 0.0 109.807 -168.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.29 163.22 40.94 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 124.021 0.82 . . . . 0.0 113.662 176.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 55.48 38.73 30.66 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.806 1.642 . . . . 0.0 114.772 172.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 80.2 t -75.3 118.96 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.436 1.094 . . . . 0.0 110.766 174.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 50.7 mt -74.54 -38.3 62.78 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.206 1.402 . . . . 0.0 112.206 175.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -153.59 144.53 22.78 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.797 1.239 . . . . 0.0 111.249 -179.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.7 p -133.25 137.34 53.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 126.186 1.795 . . . . 0.0 110.451 175.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -133.33 138.06 46.2 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.749 1.619 . . . . 0.0 111.859 -175.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.46 112.32 23.91 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 163.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 58.3 tt0 -151.43 122.59 7.71 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.745 0.818 . . . . 0.0 112.194 -166.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 64.21 32.46 84.27 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 124.357 0.979 . . . . 0.0 114.835 173.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.38 16.67 77.69 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 124.311 0.958 . . . . 0.0 115.085 -177.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.77 152.38 46.55 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.602 1.561 . . . . 0.0 110.975 177.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.2 t -91.99 137.96 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 O-C-N 121.989 -0.444 . . . . 0.0 110.631 163.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.2 mtt180 -131.7 139.86 49.14 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 126.065 1.746 . . . . 0.0 110.3 -171.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.1 m -131.23 150.23 34.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 124.749 1.219 . . . . 0.0 112.587 -174.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 58.4 m -125.17 126.88 45.95 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.785 1.234 . . . . 0.0 110.117 168.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 43.6 p -96.06 160.49 14.42 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.322 1.049 . . . . 0.0 113.273 -178.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.7 tt -52.58 -29.19 24.42 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.205 1.802 . . . . 0.0 113.359 166.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -77.72 5.56 9.12 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.36 1.464 . . . . 0.0 113.909 176.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.315 2.0 p30 59.3 10.89 1.92 Allowed 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 129.095 2.958 . . . . 0.0 115.244 -172.465 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -79.61 145.11 33.24 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.8 1.24 . . . . 0.0 111.18 169.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -127.02 148.69 50.11 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.256 1.422 . . . . 0.0 112.146 178.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -142.01 158.26 43.98 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.533 1.533 . . . . 0.0 111.013 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -143.56 143.84 31.69 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.166 1.386 . . . . 0.0 112.265 177.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -136.83 94.96 12.57 Favored Pre-proline 0 CA--C 1.545 0.758 0 C-N-CA 125.935 1.694 . . . . 0.0 111.084 -168.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_exo -61.93 147.44 95.18 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 123.8 3.0 . . . . 0.0 114.418 -179.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.17 4.14 90.32 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 125.11 1.338 . . . . 0.0 114.776 176.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.2 mt -103.2 162.53 12.9 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.452 1.101 . . . . 0.0 113.347 178.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.89 158.1 44.63 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 127.767 2.427 . . . . 0.0 109.901 165.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 59.5 mt -69.64 118.48 14.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 O-C-N 121.087 -1.008 . . . . 0.0 109.134 178.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.56 -61.17 1.39 Allowed Glycine 0 N--CA 1.469 0.889 0 C-N-CA 124.574 1.083 . . . . 0.0 113.653 -171.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -148.25 157.34 43.43 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 179.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 18.4 t -128.35 127.49 67.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 126.893 2.077 . . . . 0.0 108.995 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -124.46 92.54 3.68 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.88 1.272 . . . . 0.0 110.895 -178.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -70.56 -10.14 58.51 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 121.265 -0.897 . . . . 0.0 113.082 -177.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.7 mtm-85 -60.35 -27.39 67.33 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 125.948 1.699 . . . . 0.0 113.104 167.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.0 m -135.33 -7.06 2.27 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.057 1.343 . . . . 0.0 113.965 -176.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.49 21.72 79.33 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 124.284 0.945 . . . . 0.0 114.041 -176.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 47.7 t -96.73 138.87 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.701 1.2 . . . . 0.0 111.23 -178.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 63.8 mt -119.13 119.68 61.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 C-N-CA 127.506 2.323 . . . . 0.0 108.542 174.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.0 t -102.37 130.34 49.09 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.975 0.91 . . . . 0.0 111.522 177.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.8 mt -98.66 148.86 23.4 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.039 1.336 . . . . 0.0 111.617 176.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 pp -135.32 163.16 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 126.007 1.723 . . . . 0.0 110.623 -178.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.3 mp0 -64.46 137.41 57.86 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.565 -0.71 . . . . 0.0 110.941 176.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -70.12 -11.41 60.87 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 -175.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -135.74 143.7 45.46 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.06 1.744 . . . . 0.0 110.225 165.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -128.57 16.59 6.46 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 -163.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 . . . . . 0 C--O 1.253 1.258 0 C-N-CA 126.818 2.047 . . . . 0.0 111.98 -178.409 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.33 0 N-CA-C 112.173 -0.371 . . . . 0.0 112.173 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.03 157.6 61.19 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 123.842 3.028 . . . . 0.0 112.748 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -73.86 153.59 47.3 Favored Glycine 0 CA--C 1.538 1.5 0 C-N-CA 123.72 0.676 . . . . 0.0 113.132 174.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 7.3 t 60.6 179.39 0.1 Allowed 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.641 1.576 . . . . 0.0 114.065 -174.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.6 ptm -151.02 172.34 15.87 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.885 1.674 . . . . 0.0 112.438 -176.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 29.5 p -140.84 175.13 9.87 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.148 1.779 . . . . 0.0 111.727 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -54.42 -45.88 73.08 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.927 1.291 . . . . 0.0 113.254 -173.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -157.8 165.38 35.46 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 124.977 1.311 . . . . 0.0 111.333 165.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -134.19 133.43 40.93 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.494 1.118 . . . . 0.0 111.801 169.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 49.8 t -98.54 145.72 9.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.972 1.309 . . . . 0.0 110.642 -179.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 8.8 p -138.63 140.97 38.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 125.397 1.479 . . . . 0.0 111.585 174.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -148.33 160.91 42.52 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.384 1.474 . . . . 0.0 112.272 176.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 23.6 m -114.52 131.69 56.56 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.218 1.407 . . . . 0.0 111.026 176.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -80.43 164.04 23.36 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.029 1.732 . . . . 0.0 112.555 178.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.49 -25.66 68.09 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.292 1.037 . . . . 0.0 113.682 175.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 49.5 p30 -79.15 -0.05 30.2 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.764 1.226 . . . . 0.0 114.263 174.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.97 -5.25 83.48 Favored Glycine 0 CA--C 1.539 1.57 0 C-N-CA 125.747 1.641 . . . . 0.0 115.161 -178.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.44 167.83 54.81 Favored Glycine 0 CA--C 1.534 1.25 0 CA-C-N 119.253 1.526 . . . . 0.0 112.72 171.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -127.46 151.95 48.18 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.633 1.173 . . . . 0.0 113.226 -177.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 40.1 t -129.21 147.2 33.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 126.739 2.016 . . . . 0.0 109.098 -175.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -139.58 148.32 42.37 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.56 1.144 . . . . 0.0 112.056 177.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -132.24 123.14 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 125.167 1.387 . . . . 0.0 109.503 176.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.6 174.12 26.65 Favored Glycine 0 CA--C 1.538 1.497 0 C-N-CA 125.415 1.483 . . . . 0.0 113.457 173.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 56.22 32.44 20.29 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.008 1.323 . . . . 0.0 113.318 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 79.2 t -72.85 134.64 29.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 125.149 1.38 . . . . 0.0 110.927 -175.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 20.7 tp -117.82 -22.53 7.92 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.94 1.296 . . . . 0.0 113.181 -178.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -152.15 140.8 20.83 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.265 1.426 . . . . 0.0 111.47 178.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 17.9 t -142.09 143.0 27.15 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 C-N-CA 125.194 1.398 . . . . 0.0 109.858 171.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 1.9 ptt85 -152.62 143.76 23.13 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 176.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.88 126.21 34.51 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.27 1.428 . . . . 0.0 108.679 168.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -158.27 129.01 6.28 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.058 0.943 . . . . 0.0 111.109 -166.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 62.3 25.3 66.52 Favored Glycine 0 CA--C 1.538 1.492 0 N-CA-C 115.698 1.039 . . . . 0.0 115.698 171.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.79 21.27 69.02 Favored Glycine 0 CA--C 1.538 1.511 0 CA-C-N 118.385 1.092 . . . . 0.0 114.209 -173.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.81 176.03 9.13 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 127.191 2.196 . . . . 0.0 110.796 179.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 79.7 t -115.38 138.33 46.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 123.694 0.798 . . . . 0.0 111.193 165.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -113.89 144.02 43.72 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 126.487 1.915 . . . . 0.0 109.765 169.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -146.85 138.41 18.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 124.437 1.095 . . . . 0.0 110.92 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 4.4 m -131.07 134.23 46.42 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.597 1.159 . . . . 0.0 111.159 -176.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 24.6 p -81.22 166.67 20.37 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.384 1.074 . . . . 0.0 112.053 174.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 pp -66.87 -10.07 44.4 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 114.536 1.309 . . . . 0.0 114.536 171.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -85.66 5.8 30.37 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.785 1.234 . . . . 0.0 112.96 169.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 62.77 17.17 9.64 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.638 1.975 . . . . 0.0 114.706 -173.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -79.49 125.83 30.07 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.107 -0.996 . . . . 0.0 110.157 172.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -112.94 138.86 49.17 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.763 0.825 . . . . 0.0 112.663 -173.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 56.6 m-70 -126.28 152.03 46.7 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 127.162 2.185 . . . . 0.0 110.42 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.6 145.28 31.71 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.63 0.772 . . . . 0.0 112.555 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -138.85 97.48 8.94 Favored Pre-proline 0 CA--C 1.545 0.759 0 C-N-CA 125.366 1.467 . . . . 0.0 111.004 -171.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -61.47 147.46 95.41 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.623 2.882 . . . . 0.0 114.431 178.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.83 -4.15 58.23 Favored Glycine 0 CA--C 1.535 1.331 0 C-N-CA 125.002 1.287 . . . . 0.0 114.936 177.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 25.2 mt -90.71 163.14 14.61 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.112 1.456 . . . . 0.0 113.71 179.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.07 160.69 39.54 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 127.904 2.482 . . . . 0.0 110.197 163.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 48.6 mt -72.64 119.03 18.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 O-C-N 121.461 -0.775 . . . . 0.0 109.103 176.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -86.23 -44.72 5.84 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 124.587 1.089 . . . . 0.0 113.338 -177.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 28.4 ptt85 -157.84 155.73 30.21 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.632 1.173 . . . . 0.0 112.663 175.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 34.1 t -125.38 125.64 69.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 124.424 1.09 . . . . 0.0 108.638 170.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -127.21 83.46 2.17 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.111 1.364 . . . . 0.0 109.929 -166.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.415 ' H ' HD22 ' B' ' 53' ' ' LEU . 2.2 mm? -67.58 -16.42 64.17 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.696 1.598 . . . . 0.0 112.871 -170.025 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 22.2 mtp-105 -56.2 -26.98 52.95 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 126.103 1.761 . . . . 0.0 113.187 168.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 39.9 m -133.68 3.99 3.58 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.873 1.669 . . . . 0.0 114.171 179.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 67.15 17.55 68.13 Favored Glycine 0 CA--C 1.54 1.652 0 C-N-CA 124.806 1.193 . . . . 0.0 115.106 -176.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 71.1 t -85.93 134.67 26.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-N 118.285 1.042 . . . . 0.0 111.711 -173.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 96.7 mt -116.62 108.66 25.6 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 126.051 1.74 . . . . 0.0 107.779 169.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 26.7 t -97.85 129.0 44.84 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 121.287 -0.883 . . . . 0.0 111.457 -177.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 18.9 mt -108.34 146.23 33.29 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.341 1.057 . . . . 0.0 112.02 177.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -139.17 161.95 28.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 126.056 1.742 . . . . 0.0 110.759 -179.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -65.09 135.52 55.63 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.057 -1.027 . . . . 0.0 111.255 174.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -73.22 -6.65 47.28 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 -176.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 63.5 mm-40 -79.0 4.91 13.02 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 116.025 1.861 . . . . 0.0 116.025 176.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 64.7 m-80 -82.3 32.61 0.4 Allowed 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 126.524 1.93 . . . . 0.0 113.742 177.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 . . . . . 0 C--O 1.253 1.245 0 C-N-CA 126.205 1.802 . . . . 0.0 112.613 -177.894 . . . . . . . . 0 0 . 1 stop_ save_